*HEADER    PLANT PROTEIN                           16-OCT-07   2JWM              
*TITLE     NMR SPATIAL SRTUCTURE OF TERNARY COMPLEX KALATA B7/MN2+/DPC           
*TITLE    2 MICELLE                                                              
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: KALATA-B7;                                                 
*COMPND   3 CHAIN: A                                                             
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: OLDENLANDIA AFFINIS                             
*KEYWDS    CYCLOTIDE, CYCTINE KNOT, DIVALENT CATION-BINDING SITE,                
*KEYWDS   2 CYTOLYSIS, HEMOLYSIS, KNOTTIN, PLANT DEFENSE, PLANT PROTEIN          
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    K.D.NADEZHDIN, Z.O.SHENKAREV, L.SKJELDAL, A.S.ARSENIEV                
*REVDAT   3   15-APR-08 2JWM    1      CHANGED CONSTRAINTS FILE
*REVDAT   2   01-APR-08 2JWM    1      CHANGED CONSTRAINTS FILE
*REVDAT   1   11-MAR-08 2JWM    0                                                


Kalata B7 constraints file
Sequence, chemical shifts and torsion angles information

1st column - Residue type
2nd column - Our_Numbering
3rd column - Starndard_cyclotides_numbering

GLY  20 8 
THR 21 9  
CYS  22 10  
TYR  23 11  
THR  24 12  
GLN  25 13  
GLY  26 14  
CYS 27 15 
THR  28 16  
CYS  29 17
SER  30 18
TRP  31 19
PRO  32 20
ILE  33 21  
CYS  34 22
LYS  35 23  
ARG  36 24  
ASN  37 25  
GLY  38 26 
LEU  39 27  
PRO  40 29
VAL  41 29  
CYS  42 1 
GLY  43 2  
GLU  44 3 
THR  45 4  
CYS  46 5  
THR  47 6  
LEU  48 7
link N 20 C 48


 300 999.00000 0.00000 N      20
 301   8.23696 0.00047 HN     20
 302 999.00000 0.00000 CA     20
 303   4.43978 0.00212 HA2    20
 304   4.05089 0.00227 HA1    20
 305 999.00000 0.00000 QA     20
 306 999.00000 0.00000 C      20
 307 999.00000 0.00000 N      21
 308   7.68911 0.00235 HN     21
 309 999.00000 0.00000 CA     21
 310   4.57121 0.00000 HA     21
 311 999.00000 0.00000 CB     21
 312   3.68458 0.00000 HB     21
 313   0.69508 0.00000 QG2    21
 314 999.00000 0.00000 HG1    21
 315 999.00000 0.00000 CG2    21
 316 999.00000 0.00000 HG21   21
 317 999.00000 0.00000 HG22   21
 318 999.00000 0.00000 HG23   21
 319 999.00000 0.00000 C      21
 320 999.00000 0.00000 N      22
 321   8.80018 0.00030 HN     22
 322 999.00000 0.00000 CA     22
 323   4.56725 0.00444 HA     22
 324 999.00000 0.00000 CB     22
 325   2.99600 0.00566 HB3    22
 326   2.77855 0.00520 HB2    22
 327 999.00000 0.00000 QB     22
 328 999.00000 0.00000 HG     22
 329 999.00000 0.00000 C      22
 330 999.00000 0.00000 N      23
 331   9.07584 0.00000 HN     23
 332 999.00000 0.00000 CA     23
 333   4.49160 0.00028 HA     23
 334 999.00000 0.00000 CB     23
 335   3.23067 0.00548 HB2    23
 336   2.91163 0.00289 HB3    23
 337 999.00000 0.00000 QB     23
 338 999.00000 0.00000 CG     23
 339 999.00000 0.00000 CD1    23
 340 999.00000 0.00000 HD1    23
 341 999.00000 0.00000 CE1    23
 342 999.00000 0.00000 HE1    23
 343 999.00000 0.00000 CZ     23
 344 999.00000 0.00000 CE2    23
 345 999.00000 0.00000 HE2    23
 346 999.00000 0.00000 CD2    23
 347 999.00000 0.00000 HD2    23
 348 999.00000 0.00000 QR     23
 349 999.00000 0.00000 HH     23
 350   6.80102 0.00250 QE     23
 351   7.17652 0.00066 QD     23
 352 999.00000 0.00000 C      23
 353 999.00000 0.00000 N      24
 354   8.09015 0.00411 HN     24
 355 999.00000 0.00000 CA     24
 356   4.29842 0.00000 HA     24
 357 999.00000 0.00000 CB     24
 358   4.19754 0.00000 HB     24
 359   1.36915 0.00000 QG2    24
 360 999.00000 0.00000 HG1    24
 361 999.00000 0.00000 CG2    24
 362 999.00000 0.00000 HG21   24
 363 999.00000 0.00000 HG22   24
 364 999.00000 0.00000 HG23   24
 365 999.00000 0.00000 C      24
 366 999.00000 0.00000 N      25
 367   8.74798 0.00357 HN     25
 368 999.00000 0.00000 CA     25
 369   4.04494 0.00361 HA     25
 370 999.00000 0.00000 CB     25
 371   2.13229 0.00444 HB2    25
 372   2.07712 0.00411 HB3    25
 373 999.00000 0.00000 QB     25
 374 999.00000 0.00000 CG     25
 375 999.00000 0.00000 HG2    25
 376 999.00000 0.00000 HG3    25
 377   2.45675 0.01055 QG     25
 378 999.00000 0.00000 CD     25
 379 999.00000 0.00000 NE2    25
 380 999.00000 0.00000 HE21   25
 381 999.00000 0.00000 HE22   25
 382 999.00000 0.00000 QE2    25
 383 999.00000 0.00000 C      25
 384 999.00000 0.00000 N      26
 385   8.81723 0.00000 HN     26
 386 999.00000 0.00000 CA     26
 387   4.18821 0.00186 HA2    26
 388   3.73818 0.00000 HA1    26
 389 999.00000 0.00000 QA     26
 390 999.00000 0.00000 C      26
 391 999.00000 0.00000 N      27
 392   7.73127 0.00063 HN     27
 393 999.00000 0.00000 CA     27
 394   5.11780 0.00427 HA     27
 395 999.00000 0.00000 CB     27
 396   3.80252 0.00117 HB2    27
 397   2.61767 0.00258 HB3    27
 398 999.00000 0.00000 QB     27
 399 999.00000 0.00000 HG     27
 400 999.00000 0.00000 C      27
 401 999.00000 0.00000 N      28
 402   9.44359 0.00289 HN     28
 403 999.00000 0.00000 CA     28
 404   4.57269 0.00041 HA     28
 405 999.00000 0.00000 CB     28
 406   4.13025 0.00000 HB     28
 407   1.18680 0.00398 QG2    28
 408 999.00000 0.00000 HG1    28
 409 999.00000 0.00000 CG2    28
 410 999.00000 0.00000 HG21   28
 411 999.00000 0.00000 HG22   28
 412 999.00000 0.00000 HG23   28
 413 999.00000 0.00000 C      28
 414 999.00000 0.00000 N      29
 415   9.05376 0.00000 HN     29
 416 999.00000 0.00000 CA     29
 417   4.57722 0.00450 HA     29
 418 999.00000 0.00000 CB     29
 419   3.14156 0.00358 HB3    29
 420   2.85803 0.00561 HB2    29
 421 999.00000 0.00000 QB     29
 422 999.00000 0.00000 HG     29
 423 999.00000 0.00000 C      29
   1 999.00000 0.00000 N      30
   2   8.75400 0.00257 HN     30
   3 999.00000 0.00000 CA     30
   4   4.82053 0.00188 HA     30
   5 999.00000 0.00000 CB     30
   6   3.96383 0.00396 HB3    30
   7   3.70405 0.00477 HB2    30
   8 999.00000 0.00000 QB     30
   9 999.00000 0.00000 HG     30
  10 999.00000 0.00000 C      30
  11 999.00000 0.00000 N      31
  12   8.24346 0.00097 HN     31
  13 999.00000 0.00000 CA     31
  14   4.12399 0.00000 HA     31
  15 999.00000 0.00000 CB     31
  16 999.00000 0.00000 HB2    31
  17 999.00000 0.00000 HB3    31
  18   3.28834 0.00000 QB     31
  19 999.00000 0.00000 CG     31
  20 999.00000 0.00000 CD1    31
  21 999.00000 0.00000 CD2    31
  22 999.00000 0.00000 CE3    31
  23 999.00000 0.00000 CE2    31
  24 999.00000 0.00000 NE1    31
  25   7.39548 0.00133 HD1    31
  26   7.45973 0.00079 HE3    31
  27 999.00000 0.00000 CZ3    31
  28 999.00000 0.00000 CZ2    31
  29  11.14933 0.00141 HE1    31
  30   7.00101 0.00171 HZ3    31
  31 999.00000 0.00000 CH2    31
  32   7.41027 0.00000 HZ2    31
  33   7.05684 0.00000 HH2    31
  34 999.00000 0.00000 C      31
  35 999.00000 0.00000 N      32
  36 999.00000 0.00000 CD     32
  37 999.00000 0.00000 CA     32
  38   3.63039 0.00089 HA     32
  39 999.00000 0.00000 CB     32
  40   1.88001 0.00430 HB2    32
  41  -0.39022 0.00000 HB3    32
  42 999.00000 0.00000 QB     32
  43 999.00000 0.00000 CG     32
  44 999.00000 0.00000 HG2    32
  45 999.00000 0.00000 HG3    32
  46   1.19090 0.00321 QG     32
  47   3.25133 0.00767 HD3    32
  48   3.15180 0.00318 HD2    32
  49 999.00000 0.00000 QD     32
  50 999.00000 0.00000 C      32
  51 999.00000 0.00000 N      33
  52   8.58380 0.00000 HN     33
  53 999.00000 0.00000 CA     33
  54   4.29271 0.00000 HA     33
  55 999.00000 0.00000 CB     33
  56   1.81517 0.00039 HB     33
  57   0.88710 0.00298 QG2    33
  58 999.00000 0.00000 CG2    33
  59 999.00000 0.00000 HG21   33
  60 999.00000 0.00000 HG22   33
  61 999.00000 0.00000 HG23   33
  62 999.00000 0.00000 CG1    33
  63   1.16339 0.00000 HG12   33
  64   1.40530 0.00224 HG13   33
  65 999.00000 0.00000 QG1    33
  66   0.75980 0.00146 QD1    33
  67 999.00000 0.00000 CD1    33
  68 999.00000 0.00000 HD11   33
  69 999.00000 0.00000 HD12   33
  70 999.00000 0.00000 HD13   33
  71 999.00000 0.00000 C      33
  72 999.00000 0.00000 N      34
  73   7.66395 0.00078 HN     34
  74 999.00000 0.00000 CA     34
  75   4.93563 0.00148 HA     34
  76 999.00000 0.00000 CB     34
  77   3.19661 0.00597 HB2    34
  78   2.80485 0.00000 HB3    34
  79 999.00000 0.00000 QB     34
  80 999.00000 0.00000 HG     34
  81 999.00000 0.00000 C      34
  82 999.00000 0.00000 N      35
  83   9.43946 0.00325 HN     35
  84 999.00000 0.00000 CA     35
  85   5.02635 0.00516 HA     35
  86 999.00000 0.00000 CB     35
  88 999.00000 0.00000 HB3    35
  89   1.80486 0.00278 HB2    35
  90 999.00000 0.00000 CG     35
  91 999.00000 0.00000 HG2    35
  92 999.00000 0.00000 HG3    35
  93   1.41363 0.00463 QG     35
  94 999.00000 0.00000 CD     35
  95   0.82090 0.00554 HD2    35
  96   1.54953 0.00140 HD3    35
  98 999.00000 0.00000 CE     35
  99 999.00000 0.00000 HE2    35
 100 999.00000 0.00000 HE3    35
 101   2.81555 0.00732 QE     35
 102 999.00000 0.00000 NZ     35
 103 999.00000 0.00000 HZ1    35
 104 999.00000 0.00000 HZ2    35
 105   7.74357 0.00129 QZ     35
 106 999.00000 0.00000 C      35
 107 999.00000 0.00000 N      36
 108   8.74842 0.00096 HN     36
 109 999.00000 0.00000 CA     36
 110   4.85655 0.00102 HA     36
 111 999.00000 0.00000 CB     36
 112 999.00000 0.00000 HB2    36
 113 999.00000 0.00000 HB3    36
 114   1.73094 0.00523 QB     36
 115 999.00000 0.00000 CG     36
 116   1.45412 0.00533 HG2    36
 117   1.68046 0.00615 HG3    36
 118 999.00000 0.00000 HG2    36
 119 999.00000 0.00000 CD     36
 120 999.00000 0.00000 HD2    36
 121 999.00000 0.00000 HD3    36
 122   3.21054 0.00308 QD     36
 123 999.00000 0.00000 NE     36
 124   6.94474 0.00154 HE     36
 125 999.00000 0.00000 CZ     36
 126 999.00000 0.00000 NH1    36
 127 999.00000 0.00000 HH1    36
 128 999.00000 0.00000 NH2    36
 129 999.00000 0.00000 HH21   36
 130 999.00000 0.00000 HH22   36
 131 999.00000 0.00000 QH2    36
 132 999.00000 0.00000 C      36
 133 999.00000 0.00000 N      37
 134   9.53492 0.00091 HN     37
 135 999.00000 0.00000 CA     37
 136   4.42106 0.00207 HA     37
 137 999.00000 0.00000 CB     37
 138   3.13163 0.00327 HB3    37
 139   2.85099 0.00498 HB2    37
 140 999.00000 0.00000 QB     37
 141 999.00000 0.00000 CG     37
 142 999.00000 0.00000 ND2    37
 143   7.53134 0.00191 HD21   37
 144   6.90886 0.00274 HD22   37
 145 999.00000 0.00000 QD2    37
 146 999.00000 0.00000 C      37
 147 999.00000 0.00000 N      38
 148   8.67344 0.00000 HN     38
 149 999.00000 0.00000 CA     38
 150   4.27103 0.00252 HA2    38
 151   3.59697 0.00274 HA1    38
 152 999.00000 0.00000 QA     38
 153 999.00000 0.00000 C      38
 154 999.00000 0.00000 N      39
 155   7.93387 0.00078 HN     39
 156 999.00000 0.00000 CA     39
 157   5.14711 0.00020 HA     39
 158 999.00000 0.00000 CB     39
 159   1.75223 0.00521 HG     39
 160   1.49920 0.00312 HB3    39
 161 999.00000 0.00000 QB     39
 162 999.00000 0.00000 CG     39
 163   2.01269 0.00068 HB2    39
 164   1.02599 0.00342 QD1    39
 165   0.96585 0.00198 QD2    39
 166 999.00000 0.00000 CD1    39
 167 999.00000 0.00000 HD11   39
 168 999.00000 0.00000 HD12   39
 169 999.00000 0.00000 HD13   39
 170 999.00000 0.00000 CD2    39
 171 999.00000 0.00000 HD21   39
 172 999.00000 0.00000 HD22   39
 173 999.00000 0.00000 HD23   39
 174 999.00000 0.00000 QQD    39
 175 999.00000 0.00000 C      39
 176 999.00000 0.00000 N      40
 177 999.00000 0.00000 CD     40
 178 999.00000 0.00000 CA     40
 179   5.13447 0.00478 HA     40
 180 999.00000 0.00000 CB     40
 181   2.57744 0.00458 HB2    40
 182   1.67756 0.00229 HB3    40
 183 999.00000 0.00000 QB     40
 184 999.00000 0.00000 CG     40
 185   2.12635 0.00420 HG2    40
 186   2.26220 0.00270 HG3    40
 187 999.00000 0.00000 QG     40
 188   3.89067 0.00000 HD3    40
 189   3.82129 0.00336 HD2    40
 190 999.00000 0.00000 QD     40
 191 999.00000 0.00000 C      40
 192 999.00000 0.00000 N      41
 193   8.04970 0.00280 HN     41
 194 999.00000 0.00000 CA     41
 195   4.67981 0.00274 HA     41
 196 999.00000 0.00000 CB     41
 197   2.61802 0.00219 HB     41
 198 999.00000 0.00000 QG1    41
 199 999.00000 0.00000 QG2    41
 200 999.00000 0.00000 CG1    41
 201 999.00000 0.00000 HG11   41
 202 999.00000 0.00000 HG12   41
 203 999.00000 0.00000 HG13   41
 204 999.00000 0.00000 CG2    41
 205 999.00000 0.00000 HG21   41
 206 999.00000 0.00000 HG22   41
 207 999.00000 0.00000 HG23   41
 208   0.91042 0.00623 QQG    41
 209 999.00000 0.00000 C      41
 210 999.00000 0.00000 N      42
 211   7.93137 0.00160 HN     42
 212 999.00000 0.00000 CA     42
 213   4.48292 0.00295 HA     42
 214 999.00000 0.00000 CB     42
 215   3.36589 0.00686 HB2    42
 216   3.02420 0.00654 HB3    42
 217 999.00000 0.00000 QB     42
 218 999.00000 0.00000 HG     42
 219 999.00000 0.00000 C      42
 220 999.00000 0.00000 N      43
 221   8.52811 0.00000 HN     43
 222 999.00000 0.00000 CA     43
 223   3.90896 0.00000 HA2    43
 224   3.81418 0.00161 HA1    43
 225 999.00000 0.00000 QA     43
 226 999.00000 0.00000 C      43
 227 999.00000 0.00000 N      44
 228   7.00000 0.00003 HN     44
 229 999.00000 0.00000 CA     44
 230   4.92036 0.00489 HA     44
 231 999.00000 0.00000 CB     44
 232   2.13801 0.00000 HB2    44
 233   1.80182 0.00511 HB3    44
 234 999.00000 0.00000 QB     44
 235 999.00000 0.00000 CG     44
 236 999.00000 0.00000 HG2    44
 237 999.00000 0.00000 HG3    44
 238   2.64947 0.00000 QG     44
 239 999.00000 0.00000 CD     44
 240 999.00000 0.00000 HE2    44
 241 999.00000 0.00000 C      44
 242 999.00000 0.00000 N      45
 243   8.24812 0.00000 HN     45
 244 999.00000 0.00000 CA     45
 245   4.57590 0.00249 HA     45
 246 999.00000 0.00000 CB     45
 247   4.46998 0.00683 HB     45
 248   1.12885 0.00564 QG2    45
 249 999.00000 0.00000 HG1    45
 250 999.00000 0.00000 CG2    45
 251 999.00000 0.00000 HG21   45
 252 999.00000 0.00000 HG22   45
 253 999.00000 0.00000 HG23   45
 254 999.00000 0.00000 C      45
 255 999.00000 0.00000 N      46
 256   8.52240 0.00261 HN     46
 257 999.00000 0.00000 CA     46
 258   5.10101 0.00137 HA     46
 259 999.00000 0.00000 CB     46
 260   3.28384 0.00189 HB3    46
 261   2.70712 0.00440 HB2    46
 262 999.00000 0.00000 QB     46
 263 999.00000 0.00000 HG     46
 264 999.00000 0.00000 C      46
 265 999.00000 0.00000 N      47
 266   9.08893 0.00022 HN     47
 267 999.00000 0.00000 CA     47
 268   3.72372 0.00126 HA     47
 269 999.00000 0.00000 CB     47
 270   4.16172 0.00591 HB     47
 271   1.36814 0.00295 QG2    47
 272 999.00000 0.00000 HG1    47
 273 999.00000 0.00000 CG2    47
 274 999.00000 0.00000 HG21   47
 275 999.00000 0.00000 HG22   47
 276 999.00000 0.00000 HG23   47
 277 999.00000 0.00000 C      47
 278 999.00000 0.00000 N      48
 279   8.69306 0.00000 HN     48
 280 999.00000 0.00000 CA     48
 281   4.68547 0.00401 HA     48
 282 999.00000 0.00000 CB     48
 283 999.00000 0.00000 HB2    48
 284 999.00000 0.00000 HB3    48
 285   1.87662 0.00337 HG     48
 286 999.00000 0.00000 CG     48
 287   1.89192 0.01342 QB     48
 288   1.04287 0.00467 QD1    48
 289   0.96249 0.00050 QD2    48
 290 999.00000 0.00000 CD1    48
 291 999.00000 0.00000 HD11   48
 292 999.00000 0.00000 HD12   48
 293 999.00000 0.00000 HD13   48
 294 999.00000 0.00000 CD2    48
 295 999.00000 0.00000 HD21   48
 296 999.00000 0.00000 HD22   48
 297 999.00000 0.00000 HD23   48
 298 999.00000 0.00000 QQD    48
 299 999.00000 0.00000 C      48
 424 999.00000 0.00000 HG1    36

#  PHI   -150.0   -90.0  >8
#  PHI    -80.0   -40.0  <6
#  PHI   -180.0   -70.0  #7 (12)
#  PHI   -100.0   220.0  #7 (12)
#  PHI     40.0    80.0  7 (3)



29 CYSS     OMEGA    175.0   185.0  5.0
30 SER     OMEGA    175.0   185.0  5.0
31 TRP     OMEGA    175.0   185.0  5.0
32 PRO     OMEGA    -8.0     8.0  5.0
33 ILE     OMEGA    173.0   187.0  5.0
34 CYSS     OMEGA    175.0   185.0  5.0
40 PRO     OMEGA    175.0   185.0  5.0

#20 GLY

21 THR     PHI   -150.0   -90.0 #  HN HA 9.9 
   21 THR CHI1    30.0   330.0  #
   21 THR CHI1  -210.0    90.0  # 
   21 THR CHI1   -90.0   210.0  #
   
22 CYSS    PHI   -150.0   -90.0 #  HN HA 8.9
  22 CYSS  CHI1   -90.0   -30.0 #

23 TYR     PHI   -150.0   -90.0 #  HN HA 8.8
  23 TYR  CHI1   -90.0  -30.0   # -60
      
24 THR   PHI   -180.0   -70.0   # 7,5 HN HA 
24 THR   PHI   -100.0   220.0   # 7,5 HN HA
   24 THR CHI1    30.0   330.0  # 
   24 THR CHI1  -210.0    90.0  # 
   24 THR CHI1   -90.0   210.0  #
  # 24 THR  CHI1  -90.0 -30.0   # -60
  

25 GLN  PHI    -80.0   -40.0 #HN HA 4.0
   25 GLN CHI1    30.0   330.0  # 
   25 GLN CHI1  -210.0    90.0  # 
   25 GLN CHI1   -90.0   210.0  #

#26 GLY

27 CYSS    PHI   -150.0   -90.0 #  HN HA 8.6 
   27 CYSS CHI1  -90.0   -30.0  # -60ACME

28 THR     PHI   -150.0   -90.0 #  HN HA 9.0 
 28 THR    CHI1   -210.0   90.0 # +60/180 ACME HN HA 3.3
 28 THR    CHI1   30.0   210.0  # +60/180 ACME HN HA 3.3
 
29 CYSS    PHI    -80.0   -40.0 #  HN HA 5.8 
  29 CYSS  CHI1   150.0   210.0 # 

30 SER     PHI   -150.0   -90.0 # HN HA 9.4
 30 SER  CHI1    30.0   330.0   # .....
 30 SER  CHI1  -210.0    90.0   # .....
 30 SER  CHI1   -90.0   210.0   # .....

31 TRP     PHI    -80.0   -20.0 # HN HA 3.7
   31 TRP CHI1   150.0   210.0  # 180.....

# 32 PRO

33 ILE     PHI   -150.0   -90.0 # HN HA 8.9
   #33 ILE CHI1    -90.0   -30.0
   33 ILE CHI1    30.0   330.0  # ROTATE.....HA HB 9.7
   33 ILE CHI1  -210.0    90.0  # ROTATE.....HA HB 9.7
   33 ILE  CHI1   -90.0   210.0 # ROTATE.....HA HB 9.7

    
34 CYSS   PHI   -180.0   -70.0  # 6.8 HN HA 
34 CYSS   PHI   -100.0   220.0  # 6.8 HN HA
  34 CYSS  CHI1   -90.0   -30.0 # -60 ACME

35 LYS     PHI   -150.0   -90.0 # HN HA 9
   35 LYS CHI1    -90.0   -30.0  # -60 ACME 
   
36 ARG+    PHI  -150.0    -90.0 # HN HA 8.5
   36 ARG+ CHI1    30.0   330.0 # .....
   36 ARG+ CHI1  -210.0    90.0 # .....
   36 ARG+ CHI1   -90.0   210.0 # .....

37 ASN     PHI     40.0   80.0  # HN HA 7.4
  37 ASN   CHI1    -90.0  -30.0 # -60 ACME

39 LEU    PHI   -150.0   -90.0  # HN HA 9.7 
  39 LEU  CHI1   -90.0   -30.0  # -60 ACME

41 VAL    PHI   -150.0   -90.0  # HN HA 9.2 
  41 VAL    CHI1  30.0     90.0  # +60
  #41 VAL   CHI1   -210.0   90.0 # +60/180 ACME
  #41 VAL   CHI1   30.0   210.0  # +60/180 ACME
  
42 CYSS   PHI   -150.0   -90.0  # HN HA 8.5
  42 CYSS CHI1   -90.0  -30.0   # -60 ACME

#43 GLY !!!

44 GLU    PHI   -100.0   -70.0  # HN HA 8.1 
   44 GLU CHI1    30.0   330.0  # ROTATE.....
   44 GLU CHI1  -210.0    90.0  # ROTATE.....
   44 GLU CHI1   -90.0   210.0  # ROTATE.....

45 THR     PHI   -150.0   -90.0 # HN HA 8.5 
   45 THR CHI1    30.0   330.0  # 
   45 THR CHI1  -210.0    90.0  # 
   45 THR CHI1   -90.0   210.0  #
   
46 CYSS    PHI   -150.0   -90.0 # HN HA 9.2
  46 CYSS  CHI1  30.0    90.0   #  +60ACME

47 THR     PHI   -80.0   -40.0  # HN HA 4.3 
   47 THR CHI1    30.0   330.0  # 
   47 THR CHI1  -210.0    90.0  # 
   47 THR CHI1   -90.0   210.0  # 
   
48 LEU PHI   -150.0   -90.0 #HN HA 8.4
   48 LEU CHI1    30.0   330.0  # 
   48 LEU CHI1  -210.0    90.0  # 
   48 LEU CHI1   -90.0   210.0  # 
 37 ASN  HN     37 ASN  HA      2.74            #peak     4
 38 GLY  HN     38 GLY  HA1     2.92            #peak     8
 37 ASN  HN     38 GLY  HN      3.35            #peak     9
 42 CYSS HN     42 CYSS HB2     3.17            #peak    13
 42 CYSS HN     42 CYSS HB3     3.66            #peak    14
 39 LEU  HN     39 LEU  HB2     3.23            #peak    15
 39 LEU  HN     39 LEU  HG      3.15            #peak    16
 39 LEU  HN     39 LEU  HB3     3.89            #peak    17
 38 GLY  HN     39 LEU  HN      3.55            #peak    18
 37 ASN  HA     38 GLY  HN      3.02            #peak    20
 36 ARG+ HN     36 ARG+ QD      6.00            #peak    21
 36 ARG+ HN     36 ARG+ QB      3.12            #peak    22
 36 ARG+ HA     37 ASN  HN      2.72            #peak    25
 36 ARG+ QB     37 ASN  HN      3.98            #peak    26
 30 SER  HN     35 LYS  HN      3.52            #peak    28
 35 LYS  HA     36 ARG+ HN      2.67            #peak    30
 34 CYSS HN     34 CYSS HB3     3.72            #peak    34
 34 CYSS HN     34 CYSS HB2     3.21            #peak    35
 34 CYSS HA     35 LYS  HN      2.52            #peak    37
 33 ILE  HN     33 ILE  HB      3.02            #peak    40
 33 ILE  HA     34 CYSS HN      2.68            #peak    44
 36 ARG+ HN     39 LEU  HN      3.44            #peak    47
 33 ILE  HN     33 ILE  QG2     3.86            #peak    48
 33 ILE  HN     33 ILE  HG12    3.32            #peak    49
 33 ILE  HN     33 ILE  QD1     5.28            #peak    50
 33 ILE  HA     33 ILE  QG2     3.05            #peak    53
 33 ILE  HA     33 ILE  QD1     3.34            #peak    54
 33 ILE  HB     33 ILE  QD1     3.86            #peak    66
 34 CYSS HB3    35 LYS  HN      3.64            #peak    79
 36 ARG+ HA     36 ARG+ QD      5.24            #peak   105
 36 ARG+ HA     36 ARG+ QB      2.75            #peak   106
 36 ARG+ QB     36 ARG+ QD      2.81            #peak   107
 39 LEU  HA     39 LEU  HG      3.58            #peak   136
 32 PRO  HA     33 ILE  HN      3.45            #peak   160
 31 TRP  HA     33 ILE  HN      3.26            #peak   161
 31 TRP  HN     31 TRP  QB      2.47            #peak   163
 20 GLY  HN     31 TRP  HE1     4.70            #peak   165
 20 GLY  HN     31 TRP  HD1     3.52            #peak   167
 31 TRP  HA     31 TRP  HE3     5.00            #peak   181
 31 TRP  QB     31 TRP  HE3     3.05            #peak   182
 31 TRP  HA     31 TRP  HD1     3.43            #peak   183
 31 TRP  QB     31 TRP  HD1     3.04            #peak   184
 31 TRP  HA     31 TRP  QB      2.89            #peak   186
 26 GLY  HN     26 GLY  HA1     2.86            #peak   214
 24 THR  HN     24 THR  HB      3.04            #peak   216
 20 GLY  HN     20 GLY  HA1     2.87            #peak   218
 23 TYR  HN     23 TYR  HB2     3.83            #peak   220
 23 TYR  HN     23 TYR  HB3     3.30            #peak   221
 23 TYR  HA     23 TYR  QD      3.40            #peak   224
 23 TYR  HN     23 TYR  QD      3.40            #peak   229
 24 THR  HN     24 THR  QG2     4.09            #peak   238
 24 THR  HA     24 THR  QG2     2.72            #peak   243
 23 TYR  HB3    24 THR  HN      4.44            #peak   248
 23 TYR  HB2    24 THR  HN      5.18            #peak   249
 25 GLN  HN     25 GLN  QG      4.08            #peak   252
 25 GLN  HA     25 GLN  QG      3.23            #peak   255
 25 GLN  HN     25 GLN  HB2     2.87            #peak   259
 25 GLN  HN     25 GLN  HB3     3.00            #peak   260
 25 GLN  HA     25 GLN  HB2     2.81            #peak   261
 24 THR  HA     25 GLN  HN      2.42            #peak   264
 24 THR  HB     25 GLN  HN      4.24            #peak   265
 25 GLN  HA     26 GLY  HN      2.45            #peak   266
 25 GLN  QG     26 GLY  HN      3.97            #peak   267
 25 GLN  HB3    26 GLY  HN      3.89            #peak   268
 25 GLN  HB2    26 GLY  HN      4.89            #peak   269
 27 CYSS HN     27 CYSS HB2     2.99            #peak   275
 27 CYSS HN     27 CYSS HB3     3.47            #peak   276
 26 GLY  HA1    27 CYSS HN      3.49            #peak   285
 26 GLY  HA2    27 CYSS HN      3.42            #peak   286
 28 THR  HN     28 THR  HB      4.09            #peak   288
 28 THR  HN     28 THR  QG2     3.86            #peak   289
 27 CYSS HA     28 THR  HN      2.60            #peak   296
 27 CYSS HB2    28 THR  HN      4.66            #peak   297
 27 CYSS HB3    28 THR  HN      3.63            #peak   298
 30 SER  HN     30 SER  HB3     3.59            #peak   300
 30 SER  HN     30 SER  HB2     3.32            #peak   301
 29 CYSS HA     30 SER  HN      2.65            #peak   309
 22 CYSS HN     22 CYSS HB2     3.02            #peak   312
 22 CYSS HN     22 CYSS HB3     3.64            #peak   313
 21 THR  HN     21 THR  HB      3.11            #peak   326
 21 THR  HN     21 THR  QG2     3.76            #peak   327
 21 THR  HA     22 CYSS HN      2.60            #peak   328
 41 VAL  HN     41 VAL  QQG     2.51            #peak   338
 39 LEU  HG     41 VAL  HN      6.00            #peak   345
 39 LEU  HB3    41 VAL  HN      5.60            #peak   347
 48 LEU  HN     48 LEU  HG      2.78            #peak   349
 48 LEU  HN     48 LEU  QD1     4.28            #peak   350
 41 VAL  HA     42 CYSS HN      3.56            #peak   351
 43 GLY  HN     43 GLY  HA1     2.90            #peak   358
 42 CYSS HN     43 GLY  HA1     4.22            #peak   360
 42 CYSS HN     43 GLY  HA2     5.67            #peak   361
 45 THR  HB     46 CYSS HN      2.90            #peak   362
 42 CYSS HB2    43 GLY  HN      5.28            #peak   363
 42 CYSS HB3    43 GLY  HN      4.82            #peak   364
 44 GLU- HN     44 GLU- QG      4.27            #peak   366
 44 GLU- HN     44 GLU- HB3     3.92            #peak   368
 42 CYSS HB3    44 GLU- HN      4.69            #peak   382
 42 CYSS HB2    44 GLU- HN      4.30            #peak   383
 29 CYSS HN     29 CYSS HB3     2.84            #peak   385
 29 CYSS HN     29 CYSS HB2     2.86            #peak   386
 36 ARG+ QB     36 ARG+ HE      4.24            #peak   394
 35 LYS  HN     35 LYS  HB2     3.39            #peak   396
 44 GLU- HA     45 THR  HN      2.51            #peak   402
 44 GLU- HB2    45 THR  HN      3.62            #peak   403
 44 GLU- HB3    45 THR  HN      3.76            #peak   404
 44 GLU- QG     45 THR  HN      3.74            #peak   405
 45 THR  HN     45 THR  QG2     3.23            #peak   406
 47 THR  HN     47 THR  HB      3.11            #peak   410
 47 THR  HN     47 THR  QG2     3.77            #peak   412
 47 THR  HA     47 THR  QG2     2.61            #peak   417
 31 TRP  HN     31 TRP  HE3     6.00            #peak   419
 31 TRP  QB     32 PRO  HA      4.32            #peak   422
 31 TRP  HA     32 PRO  HA      2.43            #peak   423
 33 ILE  QG2    33 ILE  HG13    2.63            #peak   428
 33 ILE  QG2    33 ILE  HG12    3.18            #peak   430
 33 ILE  QG2    33 ILE  QD1     2.85            #peak   438
 33 ILE  HN     33 ILE  HG13    3.94            #peak   441
 33 ILE  HB     34 CYSS HN      5.12            #peak   442
 33 ILE  QG2    34 CYSS HN      3.55            #peak   443
 33 ILE  QD1    34 CYSS HN      5.93            #peak   444
 34 CYSS HN     43 GLY  HN      4.56            #peak   446
 34 CYSS HB2    35 LYS  HN      4.62            #peak   447
 35 LYS  HB2    35 LYS  QE      4.29            #peak   455
 35 LYS  HA     35 LYS  QE      6.00            #peak   461
 33 ILE  HG13   35 LYS  HD3     6.00            #peak   464
 35 LYS  HB2    35 LYS  HD3     4.24            #peak   467
 35 LYS  HB2    36 ARG+ HN      4.07            #peak   469
 37 ASN  HB3    38 GLY  HN      6.00            #peak   472
 37 ASN  HB2    38 GLY  HN      5.69            #peak   473
 41 VAL  HN     42 CYSS HN      3.17            #peak   477
 42 CYSS HN     43 GLY  HN      2.89            #peak   479
 39 LEU  HA     39 LEU  QD1     5.18            #peak   480
 39 LEU  HB2    39 LEU  QD1     2.78            #peak   482
 39 LEU  HB2    39 LEU  QD2     3.48            #peak   483
 39 LEU  HB3    39 LEU  QD1     2.85            #peak   486
 39 LEU  HB3    39 LEU  QD2     3.11            #peak   487
 39 LEU  HB3    39 LEU  HG      3.02            #peak   496
 39 LEU  HA     39 LEU  QD2     2.80            #peak   497
 39 LEU  HN     39 LEU  QD1     4.40            #peak   499
 39 LEU  HN     39 LEU  QD2     4.21            #peak   500
 39 LEU  HA     40 PRO  HD3     2.78            #peak   509
 39 LEU  HA     40 PRO  HD2     2.99            #peak   510
 40 PRO  HA     41 VAL  HN      2.80            #peak   545
 35 LYS  HA     41 VAL  HN      4.07            #peak   548
 24 THR  HN     25 GLN  HN      5.36            #peak   550
 30 SER  HN     31 TRP  HN      4.49            #peak   551
 36 ARG+ HN     41 VAL  HN      4.05            #peak   554
 41 VAL  HB     42 CYSS HN      4.58            #peak   555
 41 VAL  QQG    42 CYSS HN      3.32            #peak   556
 43 GLY  HN     44 GLU- HN      3.18            #peak   559
 44 GLU- HN     45 THR  HN      5.15            #peak   561
 20 GLY  HN     21 THR  HN      3.11            #peak   564
 20 GLY  HN     48 LEU  HN      3.20            #peak   565
 48 LEU  HN     48 LEU  QD2     3.87            #peak   569
 48 LEU  HA     48 LEU  QB      2.44            #peak   574
 20 GLY  HN     48 LEU  HG      3.75            #peak   577
 20 GLY  HN     48 LEU  QD2     4.20            #peak   578
 20 GLY  HN     48 LEU  HA      3.92            #peak   579
 23 TYR  HN     24 THR  HN      2.86            #peak   581
 26 GLY  HN     27 CYSS HN      2.90            #peak   586
 22 CYSS HN     22 CYSS HA      2.91            #peak   588
 21 THR  HB     22 CYSS HN      3.80            #peak   589
 21 THR  QG2    22 CYSS HN      3.14            #peak   590
 47 THR  HN     48 LEU  HN      3.30            #peak   591
 46 CYSS HN     47 THR  HN      3.33            #peak   592
 27 CYSS HA     36 ARG+ HA      3.31            #peak   605
 28 THR  HN     36 ARG+ HA      4.93            #peak   608
 30 SER  HN     34 CYSS HA      3.44            #peak   609
 30 SER  HB3    31 TRP  HN      5.38            #peak   610
 30 SER  HA     31 TRP  HN      2.51            #peak   612
 28 THR  QG2    29 CYSS HN      3.60            #peak   615
 28 THR  HB     29 CYSS HN      3.14            #peak   616
 29 CYSS HA     35 LYS  HN      4.00            #peak   620
 22 CYSS HA     23 TYR  HN      3.00            #peak   621
 22 CYSS HB3    23 TYR  HN      4.58            #peak   622
 46 CYSS HA     47 THR  HN      3.07            #peak   627
 20 GLY  HN     46 CYSS HA      4.78            #peak   628
 20 GLY  HN     46 CYSS HB2     3.64            #peak   629
 45 THR  QG2    46 CYSS HN      3.69            #peak   630
 46 CYSS HB3    47 THR  HN      5.07            #peak   632
 47 THR  HB     48 LEU  HN      3.35            #peak   634
 47 THR  QG2    48 LEU  HN      3.80            #peak   636
 33 ILE  HA     46 CYSS HN      3.50            #peak   637
 31 TRP  HE1    47 THR  HA      3.01            #peak   638
 31 TRP  HE1    47 THR  QG2     3.75            #peak   639
 36 ARG+ HG3    37 ASN  HN      4.67            #peak   640
 47 THR  HN     48 LEU  HG      4.96            #peak   642
 21 THR  HN     22 CYSS HN      4.41            #peak   643
 36 ARG+ HN     41 VAL  QQG     3.49            #peak   646
 32 PRO  HD2    33 ILE  HN      3.91            #peak   647
 45 THR  HA     46 CYSS HN      2.81            #peak   648
 22 CYSS HA     24 THR  HN      4.19            #peak   652
 21 THR  HN     46 CYSS HA      4.65            #peak   654
 25 GLN  HA     27 CYSS HN      3.63            #peak   655
 34 CYSS HN     45 THR  HA      3.70            #peak   656
 21 THR  HN     46 CYSS HB3     4.23            #peak   657
 21 THR  HN     46 CYSS HB2     3.62            #peak   658
 21 THR  HN     48 LEU  QB      4.05            #peak   659
 31 TRP  HE3    32 PRO  HD2     3.89            #peak   661
 31 TRP  HZ2    47 THR  QG2     3.17            #peak   662
 31 TRP  HE3    32 PRO  QG      4.52            #peak   663
 20 GLY  HA2    31 TRP  HD1     4.12            #peak   664
 20 GLY  HA1    31 TRP  HD1     3.75            #peak   665
 31 TRP  HD1    47 THR  HA      3.53            #peak   666
 31 TRP  HD1    32 PRO  HA      3.56            #peak   668
 31 TRP  HZ2    47 THR  HA      4.33            #peak   669
 21 THR  HB     23 TYR  QE      4.10            #peak   672
 24 THR  HN     27 CYSS HB2     5.44            #peak   675
 22 CYSS HB2    24 THR  HN      5.20            #peak   676
 21 THR  QG2    23 TYR  QD      4.19            #peak   677
 21 THR  QG2    23 TYR  QE      3.55            #peak   678
 31 TRP  HE1    48 LEU  QD2     5.90            #peak   679
 31 TRP  HE1    48 LEU  HG      6.00            #peak   680
 31 TRP  HE1    48 LEU  HA      6.00            #peak   681
 46 CYSS HA     48 LEU  HN      3.99            #peak   683
 36 ARG+ HA     38 GLY  HN      3.89            #peak   684
 36 ARG+ HN     40 PRO  HA      4.78            #peak   685
 35 LYS  HB2    38 GLY  HN      4.21            #peak   686
 33 ILE  QG2    46 CYSS HN      5.63            #peak   687
 32 PRO  HB2    46 CYSS HN      4.65            #peak   688
 35 LYS  HA     39 LEU  HN      4.66            #peak   689
 36 ARG+ QD     39 LEU  HN      5.95            #peak   690
 35 LYS  QE     39 LEU  HN      5.92            #peak   691
 34 CYSS HN     45 THR  QG2     5.57            #peak   692
 33 ILE  HG13   34 CYSS HN      6.00            #peak   693
 22 CYSS HB3    27 CYSS HN      4.75            #peak   694
 31 TRP  HD1    46 CYSS HB2     5.38            #peak   696
 31 TRP  HH2    32 PRO  HB3     6.00            #peak   699
 36 ARG+ HE     41 VAL  QQG     5.38            #peak   701
 20 GLY  HN     47 THR  QG2     6.00            #peak   704
 27 CYSS HA     28 THR  HA      5.17            #peak   706
 31 TRP  HA     32 PRO  HB3     4.73            #peak   719
 30 SER  HB3    35 LYS  QE      4.68            #peak   738
 30 SER  HB3    35 LYS  HD3     3.92            #peak   744
 32 PRO  HB3    47 THR  HA      4.10            #peak   746
 39 LEU  QD2    40 PRO  HD3     3.71            #peak   750
 32 PRO  HB2    47 THR  HA      3.88            #peak   754
 30 SER  HB2    35 LYS  HB2     6.00            #peak   755
 39 LEU  HB3    40 PRO  HD2     4.35            #peak   756
 39 LEU  HB3    40 PRO  HD3     5.92            #peak   759
 22 CYSS HB2    27 CYSS HB2     5.26            #peak   765
 22 CYSS HB3    27 CYSS HB2     3.79            #peak   769
 30 SER  HB2    35 LYS  HD3     3.94            #peak   773
 30 SER  HB2    33 ILE  HB      6.00            #peak   774
 36 ARG+ QD     41 VAL  QQG     3.63            #peak   775
 34 CYSS HB2    44 GLU- HB2     6.00            #peak   777
 32 PRO  HD2    33 ILE  QD1     6.00            #peak   778
 27 CYSS HB3    34 CYSS HB2     4.53            #peak   781
 22 CYSS HB3    27 CYSS HB3     4.33            #peak   782
 27 CYSS HB3    42 CYSS HB3     6.00            #peak   784
 27 CYSS HB3    42 CYSS HB2     6.00            #peak   787
 34 CYSS HB3    42 CYSS HB2     5.11            #peak   788
 34 CYSS HB2    42 CYSS HB3     3.51            #peak   789
 27 CYSS HB3    34 CYSS HB3     3.13            #peak   792
 47 THR  QG2    48 LEU  HG      3.58            #peak   795
 47 THR  HB     48 LEU  HG      3.65            #peak   799
 46 CYSS HA     46 CYSS HB3     2.89            #peak   801
 24 THR  QG2    42 CYSS HA      4.24            #peak   811
 33 ILE  QG2    35 LYS  HA      5.89            #peak   813
 39 LEU  HB2    41 VAL  QQG     3.05            #peak   827
 39 LEU  HB3    41 VAL  QQG     2.94            #peak   833
 33 ILE  QG2    35 LYS  QE      3.23            #peak   836
 34 CYSS HB2    42 CYSS HB2     3.50            #peak   840
 22 CYSS HA     46 CYSS HB3     6.00            #peak   846
 24 THR  HB     42 CYSS HB3     5.24            #peak   850
 31 TRP  HZ3    32 PRO  HD3     4.05            #peak   856
 39 LEU  QD2    40 PRO  HD2     3.59            #peak   859
 47 THR  HB     48 LEU  QD2     4.45            #peak   868
 40 PRO  HD3    41 VAL  QQG     6.00            #peak   869
 40 PRO  HD2    41 VAL  QQG     4.96            #peak   870
 24 THR  QG2    25 GLN  HN      3.01            #peak   871
 22 CYSS HA     23 TYR  QD      4.52            #peak   878
 32 PRO  HD3    33 ILE  HN      4.65            #peak   891
 31 TRP  HE3    32 PRO  HD3     3.31            #peak   893
 48 LEU  HN     48 LEU  QB      3.27            #peak   896
 30 SER  HA     30 SER  HB2     2.80            #peak   898
 30 SER  HA     30 SER  HB3     2.99            #peak   899
 35 LYS  HA     40 PRO  HA      3.16            #peak   908
 37 ASN  HA     37 ASN  HB3     2.87            #peak   910
 33 ILE  QG2    40 PRO  HA      3.31            #peak   920
 28 THR  HA     28 THR  HB      2.92            #peak   924
 33 ILE  HA     45 THR  HA      3.10            #peak   925
 41 VAL  HA     41 VAL  HB      2.88            #peak   928
 45 THR  HA     45 THR  QG2     2.85            #peak   930
 28 THR  HA     28 THR  QG2     2.76            #peak   931
 21 THR  HA     21 THR  QG2     2.71            #peak   932
 41 VAL  HA     41 VAL  QQG     2.73            #peak   933
 48 LEU  HA     48 LEU  QD2     2.75            #peak   934
 44 GLU- HA     44 GLU- QG      3.37            #peak   935
 36 ARG+ HA     36 ARG+ HG3     3.08            #peak   938
 44 GLU- HA     45 THR  QG2     5.17            #peak   939
 33 ILE  HA     45 THR  QG2     3.41            #peak   940
 33 ILE  QD1    45 THR  HA      4.55            #peak   942
 35 LYS  HB2    35 LYS  HD2     3.93            #peak   946
 27 CYSS HA     36 ARG+ QB      3.97            #peak   950
 36 ARG+ HG2    37 ASN  HN      4.39            #peak   957
 36 ARG+ HN     36 ARG+ HG2     4.60            #peak   958
 36 ARG+ HA     36 ARG+ HG2     3.41            #peak   960
 36 ARG+ QB     36 ARG+ HG2     2.49            #peak   965
 29 CYSS HA     34 CYSS HA      2.75            #peak   967
 48 LEU  HA     48 LEU  QD1     4.01            #peak   969
 36 ARG+ HN     36 ARG+ HG3     4.54            #peak   970
 33 ILE  QG2    45 THR  HA      3.68            #peak   972
 35 LYS  HD2    40 PRO  HA      3.73            #peak   973
 35 LYS  HA     35 LYS  HD2     3.55            #peak   974
 30 SER  HN     35 LYS  HD2     5.07            #peak   977
 20 GLY  HN     47 THR  HA      4.32            #peak   981
 30 SER  HB2    31 TRP  HN      4.72            #peak   982
 31 TRP  HN     32 PRO  HA      4.39            #peak   983
 30 SER  HN     35 LYS  HB2     4.22            #peak   988
 34 CYSS HB2    44 GLU- HN      4.07            #peak   991
 33 ILE  QG2    40 PRO  HB2     3.33            #peak   992
 20 GLY  HA1    46 CYSS HB2     3.00            #peak    15
 20 GLY  HA1    46 CYSS HB2     3.00            #peak    16
 23 TYR  HN     44 GLU  HB3     3.00            #peak    56
 23 TYR  HN     44 GLU  QG      3.00            #peak    58
 23 TYR  HB2    44 GLU  HB2     3.00            #peak    69
 23 TYR  HB2    44 GLU  HB2     3.00            #peak    70
 23 TYR  HB2    44 GLU  QG      3.00            #peak    71
 23 TYR  HB2    44 GLU  QG      3.00            #peak    72
 23 TYR  QD     44 GLU  QG      3.00            #peak    78
 24 THR  HB     27 CYSS HB2     3.00            #peak    90
 24 THR  HB     27 CYSS HB3     3.00            #peak    91
 24 THR  HB     42 CYSS HB3     3.00            #peak    93
 24 THR  HB     42 CYSS HB3     3.00            #peak    94
 24 THR  QG2    42 CYSS HB3     3.00            #peak   100
 30 SER  HB2    35 LYS  HN      3.00            #peak   195
 30 SER  HB2    35 LYS  HB2     3.00            #peak   197
 30 SER  HB3    35 LYS  HN      3.00            #peak   199
 30 SER  HB3    35 LYS  HB2     3.00            #peak   201
 33 ILE  HN     35 LYS  QE      3.00            #peak   264
 33 ILE  HB     35 LYS  HD2     3.00            #peak   281
 33 ILE  HB     35 LYS  QZ      3.00            #peak   287
 33 ILE  QG2    35 LYS  HD3     3.00            #peak   298
 35 LYS  HN     35 LYS  HD3     3.00            #peak   330
 35 LYS  QG     40 PRO  HD3     3.00            #peak   355
 35 LYS  QG     40 PRO  HD3     3.00            #peak   356
 35 LYS  HD2    35 LYS  QZ      3.00            #peak   361
 35 LYS  HD2    40 PRO  HB3     3.00            #peak   363
 35 LYS  HD2    40 PRO  HB3     3.00            #peak   364
 37 ASN  HB3    37 ASN  HD21    3.00            #peak   415
hbond HN 27 O 24
hbond HN 23 OE1 44
hbond HN 24 OE2 44
hbond HN 28 O 35
hbond HN 30 O 28
hbond HE1 31 O 47
hbond HN 33 O 30
hbond HN 30 O 33 
hbond HN 34 O 44
hbond HN 35 O 28
hbond HN 36 O 39
hbond HN 41 O 39

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   CYS   1           H        CYS   1   3.032   1.713   4.644
    2    HA   CYS   1           HA       CYS   1   2.605   4.366   3.514
    3    HB2  CYS   1           1HB      CYS   1   1.132   1.817   2.844
    4    HB3  CYS   1           2HB      CYS   1   1.088   3.335   1.971
    5    H    GLY   2           H        GLY   2   1.044   1.699   5.405
    6    HA2  GLY   2           1HA      GLY   2  -0.337   1.961   7.225
    7    HA3  GLY   2           2HA      GLY   2  -0.522   3.667   6.867
    8    H    GLU   3           H        GLU   3  -1.249   3.458   4.064
    9    HA   GLU   3           HA       GLU   3  -3.988   2.943   4.421
   10    HB2  GLU   3           1HB      GLU   3  -4.138   3.518   1.986
   11    HB3  GLU   3           2HB      GLU   3  -3.252   4.709   2.916
   12    HG2  GLU   3           1HG      GLU   3  -1.106   3.815   2.157
   13    HG3  GLU   3           2HG      GLU   3  -1.886   2.437   1.404
   14    H    THR   4           H        THR   4  -5.255   1.518   2.777
   15    HA   THR   4           HA       THR   4  -3.747  -0.941   2.206
   16    HB   THR   4           HB       THR   4  -6.011  -2.062   2.976
   17    HG1  THR   4           1HG      THR   4  -7.372  -0.515   3.780
   18   HG21  THR   4          3HG2      THR   4  -4.071  -2.428   4.390
   19   HG22  THR   4          1HG2      THR   4  -4.044  -0.723   4.897
   20   HG23  THR   4          2HG2      THR   4  -5.348  -1.798   5.458
   21    H    CYS   5           H        CYS   5  -4.519  -2.200   0.441
   22    HA   CYS   5           HA       CYS   5  -6.203  -0.597  -1.340
   23    HB2  CYS   5           1HB      CYS   5  -5.070  -1.557  -3.201
   24    HB3  CYS   5           2HB      CYS   5  -3.875  -0.908  -2.095
   25    H    THR   6           H        THR   6  -7.498  -2.088   0.628
   26    HA   THR   6           HA       THR   6  -7.983  -4.738   0.231
   27    HB   THR   6           HB       THR   6  -9.543  -2.360   1.244
   28    HG1  THR   6           1HG      THR   6  -9.186  -3.640   3.135
   29   HG21  THR   6          3HG2      THR   6 -11.377  -3.646   0.256
   30   HG22  THR   6          1HG2      THR   6 -10.658  -5.178   0.808
   31   HG23  THR   6          2HG2      THR   6 -11.329  -4.031   1.993
   32    H    LEU   7           H        LEU   7  -8.848  -2.063  -1.883
   33    HA   LEU   7           HA       LEU   7 -10.705  -3.745  -3.348
   34    HB2  LEU   7           1HB      LEU   7  -9.884  -1.018  -4.238
   35    HB3  LEU   7           2HB      LEU   7 -11.425  -1.837  -4.400
   36    HG   LEU   7           HG       LEU   7 -10.292  -0.625  -1.864
   37   HD11  LEU   7          1HD1      LEU   7 -11.034   1.211  -3.003
   38   HD12  LEU   7          2HD1      LEU   7 -12.256   0.297  -3.918
   39   HD13  LEU   7          3HD1      LEU   7 -12.549   0.715  -2.213
   40   HD21  LEU   7          3HD2      LEU   7 -11.621  -2.721  -1.495
   41   HD22  LEU   7          1HD2      LEU   7 -12.289  -1.261  -0.727
   42   HD23  LEU   7          2HD2      LEU   7 -13.016  -1.892  -2.225
   43    H    GLY   8           H        GLY   8  -7.432  -2.526  -3.459
   44    HA2  GLY   8           1HA      GLY   8  -5.925  -4.038  -4.654
   45    HA3  GLY   8           2HA      GLY   8  -7.011  -3.941  -6.026
   46    H    THR   9           H        THR   9  -6.919  -0.938  -4.368
   47    HA   THR   9           HA       THR   9  -4.765   0.040  -6.121
   48    HB   THR   9           HB       THR   9  -7.572   1.159  -5.640
   49    HG1  THR   9           1HG      THR   9  -5.890   0.358  -7.911
   50   HG21  THR   9          3HG2      THR   9  -6.873   3.008  -7.166
   51   HG22  THR   9          1HG2      THR   9  -5.922   3.046  -5.661
   52   HG23  THR   9          2HG2      THR   9  -5.205   2.387  -7.151
   53    H    CYS  10           H        CYS  10  -3.875   2.183  -5.400
   54    HA   CYS  10           HA       CYS  10  -4.022   2.348  -2.479
   55    HB2  CYS  10           1HB      CYS  10  -1.580   2.457  -4.251
   56    HB3  CYS  10           2HB      CYS  10  -1.588   3.077  -2.612
   57    H    TYR  11           H        TYR  11  -3.971   4.514  -1.636
   58    HA   TYR  11           HA       TYR  11  -4.676   6.520  -3.620
   59    HB2  TYR  11           1HB      TYR  11  -4.779   6.090  -0.594
   60    HB3  TYR  11           2HB      TYR  11  -4.961   7.720  -1.210
   61    HD1  TYR  11           2HD      TYR  11  -6.251   4.735  -2.986
   62    HD2  TYR  11           1HD      TYR  11  -7.220   8.042  -0.449
   63    HE1  TYR  11           2HE      TYR  11  -8.728   4.317  -3.373
   64    HE2  TYR  11           1HE      TYR  11  -9.694   7.613  -0.846
   65    HH   TYR  11           HH       TYR  11 -10.845   4.768  -2.130
   66    H    THR  12           H        THR  12  -1.964   5.495  -1.667
   67    HA   THR  12           HA       THR  12  -0.712   8.136  -1.941
   68    HB   THR  12           HB       THR  12  -0.103   5.660  -0.244
   69    HG1  THR  12           1HG      THR  12  -0.679   7.358   1.383
   70   HG21  THR  12          3HG2      THR  12   1.431   8.224  -0.747
   71   HG22  THR  12          1HG2      THR  12   1.381   7.569   0.908
   72   HG23  THR  12          2HG2      THR  12   2.057   6.590  -0.416
   73    H    GLN  13           H        GLN  13   0.439   8.499  -3.723
   74    HA   GLN  13           HA       GLN  13   1.170   6.439  -5.433
   75    HB2  GLN  13           1HB      GLN  13   0.827   8.955  -5.927
   76    HB3  GLN  13           2HB      GLN  13   2.465   9.190  -5.350
   77    HG2  GLN  13           1HG      GLN  13   3.288   8.539  -7.357
   78    HG3  GLN  13           2HG      GLN  13   2.523   6.971  -7.181
   79   HE21  GLN  13          1HE2      GLN  13   2.403   7.213  -9.540
   80   HE22  GLN  13          2HE2      GLN  13   1.024   7.991 -10.242
   81    H    GLY  14           H        GLY  14   3.307   5.613  -6.000
   82    HA2  GLY  14           1HA      GLY  14   5.554   5.244  -5.632
   83    HA3  GLY  14           2HA      GLY  14   5.489   6.182  -4.153
   84    H    CYS  15           H        CYS  15   2.831   4.532  -3.562
   85    HA   CYS  15           HA       CYS  15   4.299   2.355  -2.297
   86    HB2  CYS  15           1HB      CYS  15   1.851   3.903  -1.627
   87    HB3  CYS  15           2HB      CYS  15   1.866   2.212  -1.169
   88    H    THR  16           H        THR  16   3.854   0.202  -2.838
   89    HA   THR  16           HA       THR  16   2.123  -0.176  -5.149
   90    HB   THR  16           HB       THR  16   3.267  -2.561  -4.830
   91    HG1  THR  16           1HG      THR  16   4.107  -2.092  -2.709
   92   HG21  THR  16          3HG2      THR  16   5.111  -0.185  -5.376
   93   HG22  THR  16          1HG2      THR  16   5.244  -1.834  -6.031
   94   HG23  THR  16          2HG2      THR  16   3.926  -0.767  -6.571
   95    H    CYS  17           H        CYS  17   0.396  -1.654  -5.252
   96    HA   CYS  17           HA       CYS  17  -1.012  -1.825  -2.772
   97    HB2  CYS  17           1HB      CYS  17  -2.382  -1.286  -4.565
   98    HB3  CYS  17           2HB      CYS  17  -1.640  -2.459  -5.634
   99    H    SER  18           H        SER  18   0.266  -3.281  -1.476
  100    HA   SER  18           HA       SER  18   0.459  -5.974  -2.527
  101    HB2  SER  18           1HB      SER  18   1.452  -5.173   0.211
  102    HB3  SER  18           2HB      SER  18   2.084  -6.394  -0.877
  103    HG   SER  18           HG       SER  18   2.191  -3.554  -1.432
  104    H    TRP  19           H        TRP  19  -2.016  -6.044  -2.426
  105    HA   TRP  19           HA       TRP  19  -3.631  -5.520  -0.403
  106    HB2  TRP  19           1HB      TRP  19  -4.122  -6.662  -2.628
  107    HB3  TRP  19           2HB      TRP  19  -3.794  -8.180  -1.814
  108    HD1  TRP  19           HD       TRP  19  -6.558  -5.684  -2.317
  109    HE1  TRP  19           1HE      TRP  19  -8.738  -6.293  -0.959
  110    HE3  TRP  19           3HE      TRP  19  -4.394  -9.270   0.567
  111    HZ2  TRP  19           2HZ      TRP  19  -9.300  -8.163   1.121
  112    HZ3  TRP  19           3HZ      TRP  19  -5.829 -10.439   2.237
  113    HH2  TRP  19           HH       TRP  19  -8.202  -9.938   2.538
  114    HA   PRO  20           HA       PRO  20  -5.014  -5.968   0.764
  115    HB2  PRO  20           1HB      PRO  20  -5.736  -5.530   3.364
  116    HB3  PRO  20           2HB      PRO  20  -6.393  -6.834   2.393
  117    HG2  PRO  20           1HG      PRO  20  -4.381  -6.965   4.556
  118    HG3  PRO  20           2HG      PRO  20  -5.351  -8.258   3.879
  119    HD2  PRO  20           1HD      PRO  20  -2.579  -7.739   3.361
  120    HD3  PRO  20           2HD      PRO  20  -3.577  -8.960   2.595
  121    H    ILE  21           H        ILE  21  -2.069  -5.569   2.330
  122    HA   ILE  21           HA       ILE  21  -2.658  -2.794   2.986
  123    HB   ILE  21           HB       ILE  21  -0.441  -4.695   3.718
  124   HG12  ILE  21          1HG1      ILE  21  -2.830  -4.616   4.818
  125   HG13  ILE  21          2HG1      ILE  21  -1.389  -4.817   5.796
  126   HG21  ILE  21          1HG2      ILE  21  -0.617  -1.713   4.179
  127   HG22  ILE  21          2HG2      ILE  21   0.395  -2.795   5.166
  128   HG23  ILE  21          3HG2      ILE  21   0.697  -2.642   3.417
  129   HD11  ILE  21          3HD1      ILE  21  -2.305  -2.006   5.217
  130   HD12  ILE  21          1HD1      ILE  21  -3.224  -2.967   6.400
  131   HD13  ILE  21          2HD1      ILE  21  -1.491  -2.656   6.660
  132    H    CYS  22           H        CYS  22  -1.058  -1.092   2.380
  133    HA   CYS  22           HA       CYS  22   0.071  -1.680  -0.245
  134    HB2  CYS  22           1HB      CYS  22  -0.635   0.910   1.136
  135    HB3  CYS  22           2HB      CYS  22   0.340   0.854  -0.320
  136    H    LYS  23           H        LYS  23   2.287  -1.891  -0.446
  137    HA   LYS  23           HA       LYS  23   3.880  -1.055   1.879
  138    HB2  LYS  23           1HB      LYS  23   3.883  -3.523   0.216
  139    HB3  LYS  23           2HB      LYS  23   5.450  -2.898   0.687
  140    HG2  LYS  23           1HG      LYS  23   5.071  -4.082   2.615
  141    HG3  LYS  23           2HG      LYS  23   4.138  -2.672   3.077
  142    HD2  LYS  23           1HD      LYS  23   2.057  -3.696   2.418
  143    HD3  LYS  23           2HD      LYS  23   2.874  -4.969   1.532
  144    HE2  LYS  23           1HE      LYS  23   3.404  -4.674   4.499
  145    HE3  LYS  23           2HE      LYS  23   1.914  -5.430   3.972
  146    HZ1  LYS  23           2HZ      LYS  23   3.194  -7.061   2.745
  147    HZ3  LYS  23           1HZ      LYS  23   3.767  -7.030   4.268
  148    H    ARG  24           H        ARG  24   6.124  -0.333   1.364
  149    HA   ARG  24           HA       ARG  24   6.202   0.815  -1.309
  150    HB2  ARG  24           1HB      ARG  24   5.761   2.388   0.800
  151    HB3  ARG  24           2HB      ARG  24   7.485   2.211   1.060
  152    HG2  ARG  24           1HG      ARG  24   7.762   2.890  -1.439
  153    HG3  ARG  24           2HG      ARG  24   6.081   3.380  -1.376
  154    HD2  ARG  24           1HD      ARG  24   6.533   5.242  -0.101
  155    HD3  ARG  24           2HD      ARG  24   7.699   4.399   0.900
  156    HE   ARG  24           HE       ARG  24   8.859   4.664  -1.679
  157   HH11  ARG  24          2HH2      ARG  24   7.821   6.735   0.970
  158   HH12  ARG  24          1HH2      ARG  24   8.969   7.982   0.613
  159   HH21  ARG  24          2HH1      ARG  24  10.374   6.308  -2.150
  160   HH22  ARG  24          1HH1      ARG  24  10.431   7.738  -1.173
  161    H    ASN  25           H        ASN  25   7.771  -0.445  -2.314
  162    HA   ASN  25           HA       ASN  25   9.708  -1.303  -2.771
  163    HB2  ASN  25           1HB      ASN  25  10.493   0.775  -0.733
  164    HB3  ASN  25           2HB      ASN  25  11.701  -0.436  -1.117
  165   HD21  ASN  25          1HD2      ASN  25   9.927   2.310  -2.187
  166   HD22  ASN  25          2HD2      ASN  25  10.702   2.555  -3.717
  167    H    GLY  26           H        GLY  26   7.871  -2.423  -0.625
  168    HA2  GLY  26           1HA      GLY  26   7.954  -4.437   0.467
  169    HA3  GLY  26           2HA      GLY  26   9.706  -4.411   0.427
  170    H    LEU  27           H        LEU  27   7.435  -1.856   1.622
  171    HA   LEU  27           HA       LEU  27   8.129  -2.483   4.354
  172    HB2  LEU  27           1HB      LEU  27   8.820   0.227   3.219
  173    HB3  LEU  27           2HB      LEU  27   9.048  -0.324   4.868
  174    HG   LEU  27           HG       LEU  27  10.462  -1.529   2.474
  175   HD11  LEU  27          1HD1      LEU  27  10.881   1.008   3.334
  176   HD12  LEU  27          2HD1      LEU  27  12.006   0.114   4.384
  177   HD13  LEU  27          3HD1      LEU  27  12.134  -0.031   2.615
  178   HD21  LEU  27          3HD2      LEU  27  11.436  -2.994   3.857
  179   HD22  LEU  27          1HD2      LEU  27  11.651  -1.789   5.148
  180   HD23  LEU  27          2HD2      LEU  27  10.089  -2.620   4.958
  181    HA   PRO  28           HA       PRO  28   3.981  -1.138   4.401
  182    HB2  PRO  28           1HB      PRO  28   3.391  -1.928   6.950
  183    HB3  PRO  28           2HB      PRO  28   3.295  -3.001   5.568
  184    HG2  PRO  28           1HG      PRO  28   5.350  -2.893   7.691
  185    HG3  PRO  28           2HG      PRO  28   4.999  -4.192   6.568
  186    HD2  PRO  28           1HD      PRO  28   7.186  -2.341   6.423
  187    HD3  PRO  28           2HD      PRO  28   6.769  -3.565   5.241
  188    H    VAL  29           H        VAL  29   5.611   0.932   4.355
  189    HA   VAL  29           HA       VAL  29   4.984   2.388   6.818
  190    HB   VAL  29           HB       VAL  29   7.345   2.190   6.139
  191   HG11  VAL  29          1HG1      VAL  29   6.317   2.753   3.553
  192   HG12  VAL  29          2HG1      VAL  29   7.382   4.107   3.998
  193   HG13  VAL  29          3HG1      VAL  29   8.005   2.441   4.024
  194   HG21  VAL  29          3HG2      VAL  29   5.889   4.682   6.622
  195   HG22  VAL  29          1HG2      VAL  29   7.392   4.071   7.356
  196   HG23  VAL  29          2HG2      VAL  29   7.449   4.944   5.805
  Start of MODEL    2
    1    H1   CYS   1           H        CYS   1   3.095   1.733   4.567
    2    HA   CYS   1           HA       CYS   1   2.723   4.371   3.381
    3    HB2  CYS   1           1HB      CYS   1   1.228   1.822   2.752
    4    HB3  CYS   1           2HB      CYS   1   1.175   3.331   1.863
    5    H    GLY   2           H        GLY   2   1.095   1.759   5.299
    6    HA2  GLY   2           1HA      GLY   2  -0.289   2.072   7.107
    7    HA3  GLY   2           2HA      GLY   2  -0.430   3.777   6.734
    8    H    GLU   3           H        GLU   3  -1.109   3.471   3.889
    9    HA   GLU   3           HA       GLU   3  -3.871   3.119   4.225
   10    HB2  GLU   3           1HB      GLU   3  -3.999   3.627   1.815
   11    HB3  GLU   3           2HB      GLU   3  -2.909   4.736   2.623
   12    HG2  GLU   3           1HG      GLU   3  -0.989   3.158   1.934
   13    HG3  GLU   3           2HG      GLU   3  -2.151   2.320   0.924
   14    H    THR   4           H        THR   4  -5.151   1.686   2.535
   15    HA   THR   4           HA       THR   4  -3.787  -0.896   2.216
   16    HB   THR   4           HB       THR   4  -6.152  -1.824   2.939
   17    HG1  THR   4           1HG      THR   4  -5.974   0.812   4.211
   18   HG21  THR   4          3HG2      THR   4  -4.295  -2.210   4.462
   19   HG22  THR   4          1HG2      THR   4  -4.206  -0.481   4.878
   20   HG23  THR   4          2HG2      THR   4  -5.589  -1.458   5.426
   21    H    CYS   5           H        CYS   5  -4.573  -2.226   0.503
   22    HA   CYS   5           HA       CYS   5  -6.111  -0.658  -1.438
   23    HB2  CYS   5           1HB      CYS   5  -4.869  -1.552  -3.192
   24    HB3  CYS   5           2HB      CYS   5  -3.683  -1.129  -1.973
   25    H    THR   6           H        THR   6  -7.425  -2.119   0.601
   26    HA   THR   6           HA       THR   6  -7.943  -4.764   0.218
   27    HB   THR   6           HB       THR   6  -9.478  -2.362   1.217
   28    HG1  THR   6           1HG      THR   6  -8.589  -5.018   2.094
   29   HG21  THR   6          3HG2      THR   6 -11.323  -3.643   0.236
   30   HG22  THR   6          1HG2      THR   6 -10.618  -5.175   0.809
   31   HG23  THR   6          2HG2      THR   6 -11.280  -4.007   1.978
   32    H    LEU   7           H        LEU   7  -8.791  -2.087  -1.905
   33    HA   LEU   7           HA       LEU   7 -10.642  -3.782  -3.371
   34    HB2  LEU   7           1HB      LEU   7  -9.874  -1.043  -4.259
   35    HB3  LEU   7           2HB      LEU   7 -11.408  -1.881  -4.390
   36    HG   LEU   7           HG       LEU   7 -10.239  -0.643  -1.883
   37   HD11  LEU   7          1HD1      LEU   7 -12.468   0.697  -2.139
   38   HD12  LEU   7          2HD1      LEU   7 -11.036   1.149  -3.096
   39   HD13  LEU   7          3HD1      LEU   7 -12.345   0.205  -3.845
   40   HD21  LEU   7          3HD2      LEU   7 -12.116  -1.362  -0.659
   41   HD22  LEU   7          1HD2      LEU   7 -12.981  -1.886  -2.124
   42   HD23  LEU   7          2HD2      LEU   7 -11.562  -2.797  -1.554
   43    H    GLY   8           H        GLY   8  -7.373  -2.538  -3.455
   44    HA2  GLY   8           1HA      GLY   8  -5.842  -3.975  -4.668
   45    HA3  GLY   8           2HA      GLY   8  -6.944  -3.933  -6.030
   46    H    THR   9           H        THR   9  -6.663  -0.949  -4.215
   47    HA   THR   9           HA       THR   9  -4.638   0.067  -6.076
   48    HB   THR   9           HB       THR   9  -7.442   1.193  -5.581
   49    HG1  THR   9           1HG      THR   9  -5.856   0.350  -7.905
   50   HG21  THR   9          3HG2      THR   9  -6.575   2.799  -7.481
   51   HG22  THR   9          1HG2      THR   9  -6.123   3.170  -5.801
   52   HG23  THR   9          2HG2      THR   9  -4.955   2.373  -6.880
   53    H    CYS  10           H        CYS  10  -3.709   2.166  -5.374
   54    HA   CYS  10           HA       CYS  10  -3.855   2.360  -2.453
   55    HB2  CYS  10           1HB      CYS  10  -1.450   2.579  -4.264
   56    HB3  CYS  10           2HB      CYS  10  -1.453   3.153  -2.609
   57    H    TYR  11           H        TYR  11  -3.375   4.612  -1.638
   58    HA   TYR  11           HA       TYR  11  -4.392   6.575  -3.562
   59    HB2  TYR  11           1HB      TYR  11  -4.261   6.187  -0.527
   60    HB3  TYR  11           2HB      TYR  11  -4.538   7.795  -1.165
   61    HD1  TYR  11           2HD      TYR  11  -5.880   4.824  -2.882
   62    HD2  TYR  11           1HD      TYR  11  -6.730   7.981  -0.124
   63    HE1  TYR  11           2HE      TYR  11  -8.366   4.325  -3.067
   64    HE2  TYR  11           1HE      TYR  11  -9.213   7.473  -0.318
   65    HH   TYR  11           HH       TYR  11 -10.350   4.629  -1.926
   66    H    THR  12           H        THR  12  -1.582   5.635  -1.653
   67    HA   THR  12           HA       THR  12  -0.346   8.248  -2.155
   68    HB   THR  12           HB       THR  12   0.353   5.899  -0.317
   69    HG1  THR  12           1HG      THR  12  -0.759   7.213   1.102
   70   HG21  THR  12          3HG2      THR  12   2.223   7.647  -1.311
   71   HG22  THR  12          1HG2      THR  12   1.567   8.617   0.029
   72   HG23  THR  12          2HG2      THR  12   2.273   7.016   0.353
   73    H    GLN  13           H        GLN  13   0.822   8.504  -3.941
   74    HA   GLN  13           HA       GLN  13   1.444   6.377  -5.594
   75    HB2  GLN  13           1HB      GLN  13   1.269   8.937  -6.083
   76    HB3  GLN  13           2HB      GLN  13   2.953   9.011  -5.604
   77    HG2  GLN  13           1HG      GLN  13   3.689   7.803  -7.456
   78    HG3  GLN  13           2HG      GLN  13   2.213   6.865  -7.571
   79   HE21  GLN  13          1HE2      GLN  13   0.227   8.077  -8.180
   80   HE22  GLN  13          2HE2      GLN  13   0.347   9.302  -9.399
   81    H    GLY  14           H        GLY  14   3.537   5.432  -6.170
   82    HA2  GLY  14           1HA      GLY  14   5.752   4.924  -5.805
   83    HA3  GLY  14           2HA      GLY  14   5.758   5.898  -4.347
   84    H    CYS  15           H        CYS  15   3.010   4.425  -3.700
   85    HA   CYS  15           HA       CYS  15   4.353   2.210  -2.371
   86    HB2  CYS  15           1HB      CYS  15   1.962   3.878  -1.786
   87    HB3  CYS  15           2HB      CYS  15   1.907   2.204  -1.271
   88    H    THR  16           H        THR  16   3.900   0.084  -2.949
   89    HA   THR  16           HA       THR  16   2.101  -0.277  -5.212
   90    HB   THR  16           HB       THR  16   3.237  -2.675  -4.917
   91    HG1  THR  16           1HG      THR  16   4.171  -2.216  -2.843
   92   HG21  THR  16          3HG2      THR  16   5.069  -0.310  -5.552
   93   HG22  THR  16          1HG2      THR  16   5.174  -1.966  -6.196
   94   HG23  THR  16          2HG2      THR  16   3.840  -0.900  -6.697
   95    H    CYS  17           H        CYS  17   0.332  -1.681  -5.261
   96    HA   CYS  17           HA       CYS  17  -1.012  -1.846  -2.759
   97    HB2  CYS  17           1HB      CYS  17  -2.457  -1.373  -4.482
   98    HB3  CYS  17           2HB      CYS  17  -1.674  -2.469  -5.603
   99    H    SER  18           H        SER  18   0.318  -3.265  -1.463
  100    HA   SER  18           HA       SER  18   0.528  -5.976  -2.447
  101    HB2  SER  18           1HB      SER  18   1.470  -5.069   0.280
  102    HB3  SER  18           2HB      SER  18   2.110  -6.350  -0.729
  103    HG   SER  18           HG       SER  18   2.244  -3.546  -1.440
  104    H    TRP  19           H        TRP  19  -1.959  -6.051  -2.382
  105    HA   TRP  19           HA       TRP  19  -3.598  -5.524  -0.380
  106    HB2  TRP  19           1HB      TRP  19  -4.055  -6.687  -2.602
  107    HB3  TRP  19           2HB      TRP  19  -3.732  -8.195  -1.770
  108    HD1  TRP  19           HD       TRP  19  -6.503  -5.728  -2.344
  109    HE1  TRP  19           1HE      TRP  19  -8.696  -6.328  -1.004
  110    HE3  TRP  19           3HE      TRP  19  -4.352  -9.247   0.631
  111    HZ2  TRP  19           2HZ      TRP  19  -9.272  -8.165   1.102
  112    HZ3  TRP  19           3HZ      TRP  19  -5.801 -10.397   2.302
  113    HH2  TRP  19           HH       TRP  19  -8.182  -9.905   2.564
  114    HA   PRO  20           HA       PRO  20  -4.985  -5.963   0.780
  115    HB2  PRO  20           1HB      PRO  20  -5.728  -5.506   3.370
  116    HB3  PRO  20           2HB      PRO  20  -6.374  -6.818   2.404
  117    HG2  PRO  20           1HG      PRO  20  -4.382  -6.930   4.586
  118    HG3  PRO  20           2HG      PRO  20  -5.343  -8.229   3.910
  119    HD2  PRO  20           1HD      PRO  20  -2.567  -7.710   3.410
  120    HD3  PRO  20           2HD      PRO  20  -3.558  -8.937   2.647
  121    H    ILE  21           H        ILE  21  -2.048  -5.546   2.347
  122    HA   ILE  21           HA       ILE  21  -2.647  -2.771   2.993
  123    HB   ILE  21           HB       ILE  21  -0.392  -4.635   3.722
  124   HG12  ILE  21          1HG1      ILE  21  -2.775  -4.709   4.799
  125   HG13  ILE  21          2HG1      ILE  21  -1.344  -4.809   5.805
  126   HG21  ILE  21          1HG2      ILE  21  -0.701  -1.680   4.298
  127   HG22  ILE  21          2HG2      ILE  21   0.391  -2.761   5.195
  128   HG23  ILE  21          3HG2      ILE  21   0.633  -2.499   3.451
  129   HD11  ILE  21          3HD1      ILE  21  -3.317  -3.092   6.369
  130   HD12  ILE  21          1HD1      ILE  21  -1.614  -2.661   6.667
  131   HD13  ILE  21          2HD1      ILE  21  -2.441  -2.068   5.206
  132    H    CYS  22           H        CYS  22  -1.038  -1.069   2.388
  133    HA   CYS  22           HA       CYS  22   0.094  -1.663  -0.233
  134    HB2  CYS  22           1HB      CYS  22  -0.669   0.903   1.146
  135    HB3  CYS  22           2HB      CYS  22   0.396   0.895  -0.244
  136    H    LYS  23           H        LYS  23   2.324  -1.775  -0.478
  137    HA   LYS  23           HA       LYS  23   3.910  -0.986   1.866
  138    HB2  LYS  23           1HB      LYS  23   3.922  -3.449   0.194
  139    HB3  LYS  23           2HB      LYS  23   5.485  -2.823   0.677
  140    HG2  LYS  23           1HG      LYS  23   5.093  -4.026   2.592
  141    HG3  LYS  23           2HG      LYS  23   4.174  -2.611   3.062
  142    HD2  LYS  23           1HD      LYS  23   2.084  -3.620   2.287
  143    HD3  LYS  23           2HD      LYS  23   2.942  -4.963   1.559
  144    HE2  LYS  23           1HE      LYS  23   3.516  -4.553   4.458
  145    HE3  LYS  23           2HE      LYS  23   1.859  -4.993   4.100
  146    HZ1  LYS  23           2HZ      LYS  23   4.145  -6.653   4.027
  147    HZ3  LYS  23           1HZ      LYS  23   3.466  -6.652   2.547
  148    H    ARG  24           H        ARG  24   6.209  -0.357   1.302
  149    HA   ARG  24           HA       ARG  24   6.251   0.848  -1.345
  150    HB2  ARG  24           1HB      ARG  24   5.837   2.439   0.713
  151    HB3  ARG  24           2HB      ARG  24   7.529   2.172   1.081
  152    HG2  ARG  24           1HG      ARG  24   8.076   2.901  -1.310
  153    HG3  ARG  24           2HG      ARG  24   6.390   3.341  -1.499
  154    HD2  ARG  24           1HD      ARG  24   7.425   4.478   0.982
  155    HD3  ARG  24           2HD      ARG  24   8.473   4.920  -0.352
  156    HE   ARG  24           HE       ARG  24   5.843   5.320  -1.284
  157   HH11  ARG  24          2HH2      ARG  24   7.880   6.581   1.293
  158   HH12  ARG  24          1HH2      ARG  24   7.104   8.130   1.323
  159   HH21  ARG  24          2HH1      ARG  24   4.818   7.362  -1.245
  160   HH22  ARG  24          1HH1      ARG  24   5.350   8.576  -0.129
  161    H    ASN  25           H        ASN  25   7.632  -0.821  -2.175
  162    HA   ASN  25           HA       ASN  25   9.604  -1.570  -2.743
  163    HB2  ASN  25           1HB      ASN  25  10.998  -0.218  -0.400
  164    HB3  ASN  25           2HB      ASN  25  11.660  -0.602  -1.976
  165   HD21  ASN  25          1HD2      ASN  25   9.265   0.287  -3.402
  166   HD22  ASN  25          2HD2      ASN  25   9.282   2.019  -3.407
  167    H    GLY  26           H        GLY  26   7.736  -2.596  -0.547
  168    HA2  GLY  26           1HA      GLY  26   7.763  -4.651   0.497
  169    HA3  GLY  26           2HA      GLY  26   9.515  -4.660   0.484
  170    H    LEU  27           H        LEU  27   7.510  -1.895   1.594
  171    HA   LEU  27           HA       LEU  27   8.071  -2.602   4.361
  172    HB2  LEU  27           1HB      LEU  27   8.859   0.068   3.190
  173    HB3  LEU  27           2HB      LEU  27   9.021  -0.438   4.861
  174    HG   LEU  27           HG       LEU  27  10.438  -1.874   2.611
  175   HD11  LEU  27          1HD1      LEU  27  10.888   0.728   2.966
  176   HD12  LEU  27          2HD1      LEU  27  11.922   0.103   4.273
  177   HD13  LEU  27          3HD1      LEU  27  12.190  -0.428   2.595
  178   HD21  LEU  27          3HD2      LEU  27  10.141  -2.955   4.887
  179   HD22  LEU  27          1HD2      LEU  27  11.811  -2.810   4.289
  180   HD23  LEU  27          2HD2      LEU  27  11.208  -1.682   5.526
  181    HA   PRO  28           HA       PRO  28   3.964  -1.143   4.402
  182    HB2  PRO  28           1HB      PRO  28   3.367  -1.850   6.974
  183    HB3  PRO  28           2HB      PRO  28   3.241  -2.959   5.621
  184    HG2  PRO  28           1HG      PRO  28   5.307  -2.840   7.734
  185    HG3  PRO  28           2HG      PRO  28   4.921  -4.160   6.647
  186    HD2  PRO  28           1HD      PRO  28   7.150  -2.365   6.446
  187    HD3  PRO  28           2HD      PRO  28   6.699  -3.611   5.297
  188    H    VAL  29           H        VAL  29   5.655   0.882   4.302
  189    HA   VAL  29           HA       VAL  29   5.066   2.420   6.724
  190    HB   VAL  29           HB       VAL  29   7.420   2.147   6.043
  191   HG11  VAL  29          1HG1      VAL  29   8.098   2.351   3.927
  192   HG12  VAL  29          2HG1      VAL  29   6.408   2.634   3.447
  193   HG13  VAL  29          3HG1      VAL  29   7.464   4.012   3.841
  194   HG21  VAL  29          3HG2      VAL  29   7.522   4.060   7.205
  195   HG22  VAL  29          1HG2      VAL  29   7.583   4.890   5.632
  196   HG23  VAL  29          2HG2      VAL  29   6.026   4.682   6.470
  Start of MODEL    3
    1    H1   CYS   1           H        CYS   1   3.125   1.661   4.534
    2    HA   CYS   1           HA       CYS   1   2.827   4.303   3.342
    3    HB2  CYS   1           1HB      CYS   1   1.285   1.771   2.742
    4    HB3  CYS   1           2HB      CYS   1   1.206   3.283   1.859
    5    H    GLY   2           H        GLY   2   1.057   1.744   5.220
    6    HA2  GLY   2           1HA      GLY   2  -0.276   2.152   7.069
    7    HA3  GLY   2           2HA      GLY   2  -0.405   3.844   6.630
    8    H    GLU   3           H        GLU   3  -1.146   3.578   3.858
    9    HA   GLU   3           HA       GLU   3  -3.893   3.137   4.220
   10    HB2  GLU   3           1HB      GLU   3  -4.017   3.625   1.760
   11    HB3  GLU   3           2HB      GLU   3  -3.124   4.833   2.661
   12    HG2  GLU   3           1HG      GLU   3  -1.110   4.288   1.675
   13    HG3  GLU   3           2HG      GLU   3  -1.469   2.573   1.635
   14    H    THR   4           H        THR   4  -5.172   1.711   2.548
   15    HA   THR   4           HA       THR   4  -3.735  -0.804   2.069
   16    HB   THR   4           HB       THR   4  -5.980  -1.880   2.903
   17    HG1  THR   4           1HG      THR   4  -5.920   0.794   4.117
   18   HG21  THR   4          3HG2      THR   4  -5.158  -2.081   5.109
   19   HG22  THR   4          1HG2      THR   4  -3.677  -1.623   4.235
   20   HG23  THR   4          2HG2      THR   4  -4.585  -0.396   5.150
   21    H    CYS   5           H        CYS   5  -4.574  -2.105   0.357
   22    HA   CYS   5           HA       CYS   5  -6.256  -0.517  -1.442
   23    HB2  CYS   5           1HB      CYS   5  -5.160  -1.564  -3.299
   24    HB3  CYS   5           2HB      CYS   5  -3.966  -0.821  -2.254
   25    H    THR   6           H        THR   6  -7.529  -1.965   0.570
   26    HA   THR   6           HA       THR   6  -8.025  -4.623   0.227
   27    HB   THR   6           HB       THR   6  -9.556  -2.224   1.232
   28    HG1  THR   6           1HG      THR   6  -8.204  -3.264   2.721
   29   HG21  THR   6          3HG2      THR   6 -11.337  -3.880   2.033
   30   HG22  THR   6          1HG2      THR   6 -11.418  -3.505   0.297
   31   HG23  THR   6          2HG2      THR   6 -10.697  -5.038   0.842
   32    H    LEU   7           H        LEU   7  -8.932  -1.973  -1.906
   33    HA   LEU   7           HA       LEU   7 -10.811  -3.676  -3.317
   34    HB2  LEU   7           1HB      LEU   7 -10.013  -0.963  -4.263
   35    HB3  LEU   7           2HB      LEU   7 -11.556  -1.784  -4.375
   36    HG   LEU   7           HG       LEU   7 -10.363  -0.526  -1.890
   37   HD11  LEU   7          1HD1      LEU   7 -12.474   0.321  -3.850
   38   HD12  LEU   7          2HD1      LEU   7 -12.560   0.851  -2.153
   39   HD13  LEU   7          3HD1      LEU   7 -11.136   1.255  -3.142
   40   HD21  LEU   7          3HD2      LEU   7 -12.282  -1.176  -0.668
   41   HD22  LEU   7          1HD2      LEU   7 -13.107  -1.770  -2.128
   42   HD23  LEU   7          2HD2      LEU   7 -11.692  -2.640  -1.489
   43    H    GLY   8           H        GLY   8  -7.535  -2.476  -3.492
   44    HA2  GLY   8           1HA      GLY   8  -6.066  -4.032  -4.704
   45    HA3  GLY   8           2HA      GLY   8  -7.166  -3.901  -6.062
   46    H    THR   9           H        THR   9  -7.072  -0.900  -4.449
   47    HA   THR   9           HA       THR   9  -4.901   0.050  -6.200
   48    HB   THR   9           HB       THR   9  -7.649   1.275  -5.625
   49    HG1  THR   9           1HG      THR   9  -7.641   0.951  -8.035
   50   HG21  THR   9          3HG2      THR   9  -5.133   2.365  -6.924
   51   HG22  THR   9          1HG2      THR   9  -6.719   2.804  -7.602
   52   HG23  THR   9          2HG2      THR   9  -6.328   3.216  -5.914
   53    H    CYS  10           H        CYS  10  -3.867   2.078  -5.474
   54    HA   CYS  10           HA       CYS  10  -3.997   2.262  -2.551
   55    HB2  CYS  10           1HB      CYS  10  -1.579   2.323  -4.359
   56    HB3  CYS  10           2HB      CYS  10  -1.547   2.912  -2.709
   57    H    TYR  11           H        TYR  11  -3.756   4.434  -1.694
   58    HA   TYR  11           HA       TYR  11  -4.542   6.464  -3.618
   59    HB2  TYR  11           1HB      TYR  11  -4.315   6.123  -0.576
   60    HB3  TYR  11           2HB      TYR  11  -4.637   7.705  -1.257
   61    HD1  TYR  11           1HD      TYR  11  -6.058   4.935  -3.103
   62    HD2  TYR  11           2HD      TYR  11  -6.738   7.629   0.149
   63    HE1  TYR  11           1HE      TYR  11  -8.543   4.402  -3.172
   64    HE2  TYR  11           2HE      TYR  11  -9.221   7.088   0.068
   65    HH   TYR  11           HH       TYR  11 -10.442   4.457  -1.461
   66    H    THR  12           H        THR  12  -1.844   5.614  -1.408
   67    HA   THR  12           HA       THR  12  -0.482   8.103  -2.021
   68    HB   THR  12           HB       THR  12   0.245   5.659  -0.318
   69    HG1  THR  12           1HG      THR  12  -1.383   6.773   0.757
   70   HG21  THR  12          3HG2      THR  12   1.855   7.902  -1.177
   71   HG22  THR  12          1HG2      THR  12   1.436   8.148   0.535
   72   HG23  THR  12          2HG2      THR  12   2.268   6.658   0.027
   73    H    GLN  13           H        GLN  13   0.486   8.350  -3.933
   74    HA   GLN  13           HA       GLN  13   1.117   6.207  -5.568
   75    HB2  GLN  13           1HB      GLN  13   1.669   9.152  -5.543
   76    HB3  GLN  13           2HB      GLN  13   2.687   8.179  -6.586
   77    HG2  GLN  13           1HG      GLN  13  -0.259   7.610  -6.693
   78    HG3  GLN  13           2HG      GLN  13   0.260   9.145  -7.360
   79   HE21  GLN  13          1HE2      GLN  13   2.476   8.861  -8.613
   80   HE22  GLN  13          2HE2      GLN  13   2.462   7.635  -9.837
   81    H    GLY  14           H        GLY  14   3.197   5.314  -6.209
   82    HA2  GLY  14           1HA      GLY  14   5.476   4.981  -5.974
   83    HA3  GLY  14           2HA      GLY  14   5.491   5.959  -4.521
   84    H    CYS  15           H        CYS  15   2.871   4.331  -3.739
   85    HA   CYS  15           HA       CYS  15   4.400   2.232  -2.435
   86    HB2  CYS  15           1HB      CYS  15   1.886   3.703  -1.839
   87    HB3  CYS  15           2HB      CYS  15   1.973   2.034  -1.309
   88    H    THR  16           H        THR  16   3.939   0.017  -2.777
   89    HA   THR  16           HA       THR  16   2.336  -0.528  -5.149
   90    HB   THR  16           HB       THR  16   3.454  -2.889  -4.566
   91    HG1  THR  16           1HG      THR  16   5.113  -2.612  -3.046
   92   HG21  THR  16          3HG2      THR  16   5.350  -0.597  -5.249
   93   HG22  THR  16          1HG2      THR  16   5.436  -2.289  -5.795
   94   HG23  THR  16          2HG2      THR  16   4.168  -1.213  -6.428
   95    H    CYS  17           H        CYS  17   0.546  -1.876  -5.237
   96    HA   CYS  17           HA       CYS  17  -0.927  -1.954  -2.788
   97    HB2  CYS  17           1HB      CYS  17  -2.212  -1.383  -4.647
   98    HB3  CYS  17           2HB      CYS  17  -1.518  -2.641  -5.651
   99    H    SER  18           H        SER  18   0.406  -3.421  -1.500
  100    HA   SER  18           HA       SER  18   0.476  -6.141  -2.473
  101    HB2  SER  18           1HB      SER  18   2.512  -5.292  -1.409
  102    HB3  SER  18           2HB      SER  18   1.622  -4.820   0.024
  103    HG   SER  18           HG       SER  18   2.042  -6.775   0.770
  104    H    TRP  19           H        TRP  19  -2.012  -6.101  -2.410
  105    HA   TRP  19           HA       TRP  19  -3.625  -5.495  -0.408
  106    HB2  TRP  19           1HB      TRP  19  -4.162  -6.611  -2.621
  107    HB3  TRP  19           2HB      TRP  19  -3.867  -8.146  -1.828
  108    HD1  TRP  19           HD       TRP  19  -6.584  -5.610  -2.320
  109    HE1  TRP  19           1HE      TRP  19  -8.770  -6.175  -0.955
  110    HE3  TRP  19           3HE      TRP  19  -4.472  -9.212   0.581
  111    HZ2  TRP  19           2HZ      TRP  19  -9.357  -8.023   1.139
  112    HZ3  TRP  19           3HZ      TRP  19  -5.922 -10.348   2.261
  113    HH2  TRP  19           HH       TRP  19  -8.286  -9.806   2.564
  114    HA   PRO  20           HA       PRO  20  -5.033  -5.869   0.749
  115    HB2  PRO  20           1HB      PRO  20  -5.760  -5.382   3.339
  116    HB3  PRO  20           2HB      PRO  20  -6.466  -6.661   2.370
  117    HG2  PRO  20           1HG      PRO  20  -4.485  -6.871   4.554
  118    HG3  PRO  20           2HG      PRO  20  -5.505  -8.122   3.873
  119    HD2  PRO  20           1HD      PRO  20  -2.706  -7.734   3.381
  120    HD3  PRO  20           2HD      PRO  20  -3.753  -8.912   2.612
  121    H    ILE  21           H        ILE  21  -2.082  -5.595   2.316
  122    HA   ILE  21           HA       ILE  21  -2.548  -2.806   2.997
  123    HB   ILE  21           HB       ILE  21  -0.245  -4.664   3.599
  124   HG12  ILE  21          1HG1      ILE  21  -2.381  -5.307   4.674
  125   HG13  ILE  21          2HG1      ILE  21  -1.145  -4.831   5.822
  126   HG21  ILE  21          1HG2      ILE  21   0.236  -2.832   5.339
  127   HG22  ILE  21          2HG2      ILE  21   0.698  -2.531   3.648
  128   HG23  ILE  21          3HG2      ILE  21  -0.774  -1.786   4.313
  129   HD11  ILE  21          3HD1      ILE  21  -2.290  -2.408   5.475
  130   HD12  ILE  21          1HD1      ILE  21  -3.692  -3.431   5.079
  131   HD13  ILE  21          2HD1      ILE  21  -2.900  -3.583   6.665
  132    H    CYS  22           H        CYS  22  -1.073  -1.109   2.285
  133    HA   CYS  22           HA       CYS  22   0.134  -1.754  -0.290
  134    HB2  CYS  22           1HB      CYS  22  -0.674   0.865   0.976
  135    HB3  CYS  22           2HB      CYS  22   0.307   0.773  -0.474
  136    H    LYS  23           H        LYS  23   2.371  -1.785  -0.491
  137    HA   LYS  23           HA       LYS  23   3.872  -0.966   1.895
  138    HB2  LYS  23           1HB      LYS  23   4.122  -3.261   0.005
  139    HB3  LYS  23           2HB      LYS  23   5.606  -2.569   0.625
  140    HG2  LYS  23           1HG      LYS  23   5.130  -4.140   2.291
  141    HG3  LYS  23           2HG      LYS  23   4.389  -2.706   2.974
  142    HD2  LYS  23           1HD      LYS  23   2.193  -3.433   1.858
  143    HD3  LYS  23           2HD      LYS  23   2.980  -4.946   1.454
  144    HE2  LYS  23           1HE      LYS  23   2.089  -3.922   4.128
  145    HE3  LYS  23           2HE      LYS  23   2.043  -5.555   3.490
  146    HZ1  LYS  23           2HZ      LYS  23   4.588  -5.449   3.699
  147    HZ3  LYS  23           1HZ      LYS  23   3.747  -5.587   5.088
  148    H    ARG  24           H        ARG  24   6.312  -0.453   1.172
  149    HA   ARG  24           HA       ARG  24   6.202   1.098  -1.268
  150    HB2  ARG  24           1HB      ARG  24   5.738   2.497   0.908
  151    HB3  ARG  24           2HB      ARG  24   7.439   2.263   1.262
  152    HG2  ARG  24           1HG      ARG  24   7.978   3.222  -1.037
  153    HG3  ARG  24           2HG      ARG  24   6.276   3.585  -1.233
  154    HD2  ARG  24           1HD      ARG  24   6.323   5.045   0.776
  155    HD3  ARG  24           2HD      ARG  24   8.001   4.633   1.063
  156    HE   ARG  24           HE       ARG  24   7.471   5.739  -1.612
  157   HH11  ARG  24          2HH2      ARG  24   8.355   6.454   1.718
  158   HH12  ARG  24          1HH2      ARG  24   9.090   7.973   1.331
  159   HH21  ARG  24          2HH1      ARG  24   8.439   7.744  -2.123
  160   HH22  ARG  24          1HH1      ARG  24   9.138   8.713  -0.869
  161    H    ASN  25           H        ASN  25   7.622  -0.504  -2.204
  162    HA   ASN  25           HA       ASN  25   9.621  -1.109  -2.860
  163    HB2  ASN  25           1HB      ASN  25  10.939   0.204  -0.441
  164    HB3  ASN  25           2HB      ASN  25  11.668  -0.147  -1.995
  165   HD21  ASN  25          1HD2      ASN  25  10.349   2.197  -0.087
  166   HD22  ASN  25          2HD2      ASN  25   9.950   3.402  -1.266
  167    H    GLY  26           H        GLY  26   7.838  -2.351  -0.701
  168    HA2  GLY  26           1HA      GLY  26   7.977  -4.476   0.190
  169    HA3  GLY  26           2HA      GLY  26   9.728  -4.394   0.169
  170    H    LEU  27           H        LEU  27   7.553  -1.845   1.478
  171    HA   LEU  27           HA       LEU  27   8.126  -2.706   4.185
  172    HB2  LEU  27           1HB      LEU  27   8.937   0.039   3.221
  173    HB3  LEU  27           2HB      LEU  27   9.068  -0.584   4.854
  174    HG   LEU  27           HG       LEU  27  10.533  -1.818   2.512
  175   HD11  LEU  27          1HD1      LEU  27  10.977   0.750   3.527
  176   HD12  LEU  27          2HD1      LEU  27  12.220  -0.272   4.287
  177   HD13  LEU  27          3HD1      LEU  27  12.074  -0.218   2.514
  178   HD21  LEU  27          3HD2      LEU  27  11.445  -1.962   5.356
  179   HD22  LEU  27          1HD2      LEU  27  10.090  -2.990   4.833
  180   HD23  LEU  27          2HD2      LEU  27  11.668  -3.115   4.019
  181    HA   PRO  28           HA       PRO  28   4.029  -1.241   4.301
  182    HB2  PRO  28           1HB      PRO  28   3.435  -2.029   6.849
  183    HB3  PRO  28           2HB      PRO  28   3.315  -3.095   5.463
  184    HG2  PRO  28           1HG      PRO  28   5.379  -3.030   7.579
  185    HG3  PRO  28           2HG      PRO  28   5.000  -4.320   6.453
  186    HD2  PRO  28           1HD      PRO  28   7.220  -2.509   6.307
  187    HD3  PRO  28           2HD      PRO  28   6.776  -3.720   5.121
  188    H    VAL  29           H        VAL  29   5.684   0.803   4.250
  189    HA   VAL  29           HA       VAL  29   5.065   2.267   6.713
  190    HB   VAL  29           HB       VAL  29   7.434   2.010   6.110
  191   HG11  VAL  29          1HG1      VAL  29   8.178   2.222   4.019
  192   HG12  VAL  29          2HG1      VAL  29   6.510   2.542   3.485
  193   HG13  VAL  29          3HG1      VAL  29   7.576   3.894   3.936
  194   HG21  VAL  29          3HG2      VAL  29   7.629   4.753   5.740
  195   HG22  VAL  29          1HG2      VAL  29   6.036   4.550   6.506
  196   HG23  VAL  29          2HG2      VAL  29   7.493   3.908   7.300
  Start of MODEL    4
    1    H1   CYS   1           H        CYS   1   3.176   1.461   4.575
    2    HA   CYS   1           HA       CYS   1   2.953   4.121   3.413
    3    HB2  CYS   1           1HB      CYS   1   1.378   1.621   2.771
    4    HB3  CYS   1           2HB      CYS   1   1.315   3.144   1.908
    5    H    GLY   2           H        GLY   2   1.202   1.631   5.370
    6    HA2  GLY   2           1HA      GLY   2  -0.184   2.048   7.157
    7    HA3  GLY   2           2HA      GLY   2  -0.262   3.745   6.729
    8    H    GLU   3           H        GLU   3  -0.951   3.420   3.908
    9    HA   GLU   3           HA       GLU   3  -3.723   3.136   4.239
   10    HB2  GLU   3           1HB      GLU   3  -2.767   4.718   2.624
   11    HB3  GLU   3           2HB      GLU   3  -1.996   3.416   1.741
   12    HG2  GLU   3           1HG      GLU   3  -4.149   2.494   1.059
   13    HG3  GLU   3           2HG      GLU   3  -5.017   3.563   2.143
   14    H    THR   4           H        THR   4  -5.072   1.695   2.676
   15    HA   THR   4           HA       THR   4  -3.756  -0.915   2.338
   16    HB   THR   4           HB       THR   4  -6.120  -1.789   3.107
   17    HG1  THR   4           1HG      THR   4  -6.949  -0.060   4.667
   18   HG21  THR   4          3HG2      THR   4  -5.496  -1.140   5.618
   19   HG22  THR   4          1HG2      THR   4  -4.453  -2.266   4.717
   20   HG23  THR   4          2HG2      THR   4  -3.986  -0.556   4.877
   21    H    CYS   5           H        CYS   5  -4.603  -2.254   0.658
   22    HA   CYS   5           HA       CYS   5  -6.169  -0.693  -1.267
   23    HB2  CYS   5           1HB      CYS   5  -4.944  -1.565  -3.048
   24    HB3  CYS   5           2HB      CYS   5  -3.745  -1.110  -1.854
   25    H    THR   6           H        THR   6  -7.463  -2.147   0.755
   26    HA   THR   6           HA       THR   6  -7.924  -4.812   0.406
   27    HB   THR   6           HB       THR   6  -9.496  -2.431   1.390
   28    HG1  THR   6           1HG      THR   6  -7.858  -3.719   2.604
   29   HG21  THR   6          3HG2      THR   6 -11.341  -3.715   0.452
   30   HG22  THR   6          1HG2      THR   6 -10.596  -5.252   0.958
   31   HG23  THR   6          2HG2      THR   6 -11.253  -4.137   2.180
   32    H    LEU   7           H        LEU   7  -8.868  -2.158  -1.719
   33    HA   LEU   7           HA       LEU   7 -10.683  -3.899  -3.167
   34    HB2  LEU   7           1HB      LEU   7  -9.955  -1.164  -4.095
   35    HB3  LEU   7           2HB      LEU   7 -11.480  -2.021  -4.201
   36    HG   LEU   7           HG       LEU   7 -10.304  -0.735  -1.721
   37   HD11  LEU   7          1HD1      LEU   7 -11.740   1.016  -2.000
   38   HD12  LEU   7          2HD1      LEU   7 -11.445   0.602  -3.705
   39   HD13  LEU   7          3HD1      LEU   7 -12.933   0.049  -2.900
   40   HD21  LEU   7          3HD2      LEU   7 -12.157  -1.459  -0.469
   41   HD22  LEU   7          1HD2      LEU   7 -13.033  -2.011  -1.918
   42   HD23  LEU   7          2HD2      LEU   7 -11.598  -2.901  -1.354
   43    H    GLY   8           H        GLY   8  -7.421  -2.629  -3.272
   44    HA2  GLY   8           1HA      GLY   8  -5.865  -4.037  -4.466
   45    HA3  GLY   8           2HA      GLY   8  -6.991  -4.089  -5.808
   46    H    THR   9           H        THR   9  -6.698  -1.043  -4.065
   47    HA   THR   9           HA       THR   9  -4.804  -0.031  -6.059
   48    HB   THR   9           HB       THR   9  -7.595   1.056  -5.427
   49    HG1  THR   9           1HG      THR   9  -6.085   0.017  -7.716
   50   HG21  THR   9          3HG2      THR   9  -6.982   2.734  -7.257
   51   HG22  THR   9          1HG2      THR   9  -6.132   2.999  -5.715
   52   HG23  THR   9          2HG2      THR   9  -5.288   2.216  -7.072
   53    H    CYS  10           H        CYS  10  -3.870   2.094  -5.452
   54    HA   CYS  10           HA       CYS  10  -3.990   2.493  -2.559
   55    HB2  CYS  10           1HB      CYS  10  -1.496   2.262  -4.249
   56    HB3  CYS  10           2HB      CYS  10  -1.513   2.959  -2.640
   57    H    TYR  11           H        TYR  11  -3.839   4.712  -1.940
   58    HA   TYR  11           HA       TYR  11  -4.294   6.562  -4.128
   59    HB2  TYR  11           1HB      TYR  11  -4.458   6.484  -1.070
   60    HB3  TYR  11           2HB      TYR  11  -4.549   8.031  -1.890
   61    HD1  TYR  11           1HD      TYR  11  -6.028   4.704  -2.798
   62    HD2  TYR  11           2HD      TYR  11  -6.749   8.775  -1.697
   63    HE1  TYR  11           1HE      TYR  11  -8.522   4.370  -3.165
   64    HE2  TYR  11           2HE      TYR  11  -9.239   8.427  -2.066
   65    HH   TYR  11           HH       TYR  11 -10.698   7.008  -3.269
   66    H    THR  12           H        THR  12  -1.899   5.843  -1.554
   67    HA   THR  12           HA       THR  12  -0.388   8.229  -2.110
   68    HB   THR  12           HB       THR  12   0.140   5.728  -0.420
   69    HG1  THR  12           1HG      THR  12  -0.395   7.553   1.197
   70   HG21  THR  12          3HG2      THR  12   1.913   7.885  -1.154
   71   HG22  THR  12          1HG2      THR  12   1.403   8.149   0.531
   72   HG23  THR  12          2HG2      THR  12   2.185   6.618   0.067
   73    H    GLN  13           H        GLN  13   0.689   8.487  -3.963
   74    HA   GLN  13           HA       GLN  13   1.372   6.346  -5.589
   75    HB2  GLN  13           1HB      GLN  13   1.069   8.866  -6.158
   76    HB3  GLN  13           2HB      GLN  13   2.736   9.061  -5.654
   77    HG2  GLN  13           1HG      GLN  13   3.578   7.913  -7.481
   78    HG3  GLN  13           2HG      GLN  13   2.223   6.804  -7.551
   79   HE21  GLN  13          1HE2      GLN  13   3.588   8.468  -9.596
   80   HE22  GLN  13          2HE2      GLN  13   2.353   9.394 -10.381
   81    H    GLY  14           H        GLY  14   3.406   5.333  -6.045
   82    HA2  GLY  14           1HA      GLY  14   5.690   5.006  -5.719
   83    HA3  GLY  14           2HA      GLY  14   5.640   5.977  -4.261
   84    H    CYS  15           H        CYS  15   2.933   4.342  -3.712
   85    HA   CYS  15           HA       CYS  15   4.368   2.167  -2.394
   86    HB2  CYS  15           1HB      CYS  15   1.981   3.798  -1.700
   87    HB3  CYS  15           2HB      CYS  15   1.955   2.113  -1.218
   88    H    THR  16           H        THR  16   3.887   0.033  -2.949
   89    HA   THR  16           HA       THR  16   2.055  -0.314  -5.187
   90    HB   THR  16           HB       THR  16   3.188  -2.716  -4.918
   91    HG1  THR  16           1HG      THR  16   4.232  -2.386  -2.920
   92   HG21  THR  16          3HG2      THR  16   3.776  -0.981  -6.716
   93   HG22  THR  16          1HG2      THR  16   4.981  -0.326  -5.582
   94   HG23  THR  16          2HG2      THR  16   5.143  -1.992  -6.188
   95    H    CYS  17           H        CYS  17   0.285  -1.723  -5.217
   96    HA   CYS  17           HA       CYS  17  -1.018  -1.895  -2.691
   97    HB2  CYS  17           1HB      CYS  17  -2.482  -1.386  -4.393
   98    HB3  CYS  17           2HB      CYS  17  -1.740  -2.496  -5.528
   99    H    SER  18           H        SER  18   0.334  -3.337  -1.441
  100    HA   SER  18           HA       SER  18   0.470  -6.044  -2.456
  101    HB2  SER  18           1HB      SER  18   1.537  -5.266   0.250
  102    HB3  SER  18           2HB      SER  18   2.167  -6.435  -0.894
  103    HG   SER  18           HG       SER  18   2.255  -3.551  -1.185
  104    H    TRP  19           H        TRP  19  -1.980  -6.174  -2.290
  105    HA   TRP  19           HA       TRP  19  -3.568  -5.603  -0.260
  106    HB2  TRP  19           1HB      TRP  19  -4.058  -6.856  -2.435
  107    HB3  TRP  19           2HB      TRP  19  -3.716  -8.325  -1.542
  108    HD1  TRP  19           HD       TRP  19  -6.478  -5.815  -2.107
  109    HE1  TRP  19           1HE      TRP  19  -8.653  -6.382  -0.725
  110    HE3  TRP  19           3HE      TRP  19  -4.323  -9.369   0.822
  111    HZ2  TRP  19           2HZ      TRP  19  -9.216  -8.212   1.391
  112    HZ3  TRP  19           3HZ      TRP  19  -5.756 -10.497   2.523
  113    HH2  TRP  19           HH       TRP  19  -8.122  -9.970   2.831
  114    HA   PRO  20           HA       PRO  20  -4.939  -6.062   0.936
  115    HB2  PRO  20           1HB      PRO  20  -5.650  -5.552   3.526
  116    HB3  PRO  20           2HB      PRO  20  -6.273  -6.909   2.611
  117    HG2  PRO  20           1HG      PRO  20  -4.239  -6.899   4.755
  118    HG3  PRO  20           2HG      PRO  20  -5.173  -8.245   4.135
  119    HD2  PRO  20           1HD      PRO  20  -2.423  -7.659   3.569
  120    HD3  PRO  20           2HD      PRO  20  -3.389  -8.937   2.859
  121    H    ILE  21           H        ILE  21  -1.988  -5.511   2.427
  122    HA   ILE  21           HA       ILE  21  -2.661  -2.723   2.962
  123    HB   ILE  21           HB       ILE  21  -0.398  -4.511   3.838
  124   HG12  ILE  21          1HG1      ILE  21  -2.817  -4.540   4.860
  125   HG13  ILE  21          2HG1      ILE  21  -1.403  -4.609   5.893
  126   HG21  ILE  21          1HG2      ILE  21  -0.769  -1.546   4.343
  127   HG22  ILE  21          2HG2      ILE  21   0.401  -2.595   5.180
  128   HG23  ILE  21          3HG2      ILE  21   0.545  -2.322   3.427
  129   HD11  ILE  21          3HD1      ILE  21  -3.337  -2.881   6.419
  130   HD12  ILE  21          1HD1      ILE  21  -1.638  -2.388   6.616
  131   HD13  ILE  21          2HD1      ILE  21  -2.542  -1.905   5.161
  132    H    CYS  22           H        CYS  22  -0.989  -1.047   2.351
  133    HA   CYS  22           HA       CYS  22   0.140  -1.727  -0.250
  134    HB2  CYS  22           1HB      CYS  22  -0.383   0.946   1.065
  135    HB3  CYS  22           2HB      CYS  22   0.438   0.747  -0.471
  136    H    LYS  23           H        LYS  23   2.394  -1.669  -0.578
  137    HA   LYS  23           HA       LYS  23   3.979  -1.041   1.816
  138    HB2  LYS  23           1HB      LYS  23   4.047  -3.370  -0.050
  139    HB3  LYS  23           2HB      LYS  23   5.582  -2.766   0.541
  140    HG2  LYS  23           1HG      LYS  23   4.760  -4.490   2.075
  141    HG3  LYS  23           2HG      LYS  23   4.741  -2.942   2.895
  142    HD2  LYS  23           1HD      LYS  23   2.379  -2.744   2.763
  143    HD3  LYS  23           2HD      LYS  23   2.257  -3.883   1.436
  144    HE2  LYS  23           1HE      LYS  23   3.321  -4.823   4.115
  145    HE3  LYS  23           2HE      LYS  23   1.593  -4.638   3.890
  146    HZ1  LYS  23           2HZ      LYS  23   3.103  -6.796   3.087
  147    HZ3  LYS  23           1HZ      LYS  23   2.756  -6.032   1.690
  148    H    ARG  24           H        ARG  24   6.257  -0.329   1.298
  149    HA   ARG  24           HA       ARG  24   6.275   1.049  -1.263
  150    HB2  ARG  24           1HB      ARG  24   5.870   2.452   0.967
  151    HB3  ARG  24           2HB      ARG  24   7.597   2.251   1.191
  152    HG2  ARG  24           1HG      ARG  24   7.816   3.110  -1.275
  153    HG3  ARG  24           2HG      ARG  24   6.157   3.643  -1.097
  154    HD2  ARG  24           1HD      ARG  24   7.688   4.455   1.248
  155    HD3  ARG  24           2HD      ARG  24   8.520   4.982  -0.202
  156    HE   ARG  24           HE       ARG  24   5.624   5.518  -0.199
  157   HH11  ARG  24          2HH2      ARG  24   8.827   6.757   0.565
  158   HH12  ARG  24          1HH2      ARG  24   8.333   8.417   0.531
  159   HH21  ARG  24          2HH1      ARG  24   4.971   7.707  -0.244
  160   HH22  ARG  24          1HH1      ARG  24   6.125   8.961   0.067
  161    H    ASN  25           H        ASN  25   7.777  -0.255  -2.348
  162    HA   ASN  25           HA       ASN  25   9.738  -0.986  -2.933
  163    HB2  ASN  25           1HB      ASN  25  10.939   0.291  -0.421
  164    HB3  ASN  25           2HB      ASN  25  11.810  -0.176  -1.869
  165   HD21  ASN  25          1HD2      ASN  25   9.805   2.162  -0.335
  166   HD22  ASN  25          2HD2      ASN  25   9.809   3.376  -1.571
  167    H    GLY  26           H        GLY  26   7.880  -2.260  -0.839
  168    HA2  GLY  26           1HA      GLY  26   7.931  -4.411  -0.015
  169    HA3  GLY  26           2HA      GLY  26   9.684  -4.409  -0.058
  170    H    LEU  27           H        LEU  27   7.486  -1.942   1.416
  171    HA   LEU  27           HA       LEU  27   8.163  -2.889   4.062
  172    HB2  LEU  27           1HB      LEU  27   8.912  -0.090   3.220
  173    HB3  LEU  27           2HB      LEU  27   9.117  -0.809   4.805
  174    HG   LEU  27           HG       LEU  27  10.507  -1.850   2.326
  175   HD11  LEU  27          1HD1      LEU  27  11.767  -0.053   4.401
  176   HD12  LEU  27          2HD1      LEU  27  12.420  -0.568   2.827
  177   HD13  LEU  27          3HD1      LEU  27  11.050   0.567   2.893
  178   HD21  LEU  27          3HD2      LEU  27  11.420  -2.225   5.165
  179   HD22  LEU  27          1HD2      LEU  27  10.166  -3.278   4.468
  180   HD23  LEU  27          2HD2      LEU  27  11.778  -3.198   3.717
  181    HA   PRO  28           HA       PRO  28   4.060  -1.473   4.354
  182    HB2  PRO  28           1HB      PRO  28   3.553  -2.340   6.896
  183    HB3  PRO  28           2HB      PRO  28   3.404  -3.368   5.485
  184    HG2  PRO  28           1HG      PRO  28   5.530  -3.337   7.539
  185    HG3  PRO  28           2HG      PRO  28   5.134  -4.597   6.388
  186    HD2  PRO  28           1HD      PRO  28   7.325  -2.755   6.227
  187    HD3  PRO  28           2HD      PRO  28   6.860  -3.938   5.021
  188    H    VAL  29           H        VAL  29   5.688   0.594   4.313
  189    HA   VAL  29           HA       VAL  29   5.062   1.993   6.818
  190    HB   VAL  29           HB       VAL  29   7.450   1.704   6.248
  191   HG11  VAL  29          1HG1      VAL  29   6.590   2.380   3.640
  192   HG12  VAL  29          2HG1      VAL  29   7.644   3.708   4.182
  193   HG13  VAL  29          3HG1      VAL  29   8.246   2.033   4.191
  194   HG21  VAL  29          3HG2      VAL  29   7.512   3.533   7.541
  195   HG22  VAL  29          1HG2      VAL  29   7.681   4.463   6.032
  196   HG23  VAL  29          2HG2      VAL  29   6.073   4.235   6.762
  Start of MODEL    5
    1    H1   CYS   1           H        CYS   1   3.069   1.687   4.531
    2    HA   CYS   1           HA       CYS   1   2.684   4.310   3.322
    3    HB2  CYS   1           1HB      CYS   1   1.215   1.729   2.752
    4    HB3  CYS   1           2HB      CYS   1   1.085   3.230   1.858
    5    H    GLY   2           H        GLY   2   1.076   1.743   5.313
    6    HA2  GLY   2           1HA      GLY   2  -0.290   2.101   7.128
    7    HA3  GLY   2           2HA      GLY   2  -0.445   3.795   6.705
    8    H    GLU   3           H        GLU   3  -1.208   3.538   3.936
    9    HA   GLU   3           HA       GLU   3  -3.946   3.059   4.321
   10    HB2  GLU   3           1HB      GLU   3  -4.086   3.542   1.848
   11    HB3  GLU   3           2HB      GLU   3  -3.248   4.776   2.769
   12    HG2  GLU   3           1HG      GLU   3  -1.074   3.969   2.052
   13    HG3  GLU   3           2HG      GLU   3  -1.762   2.501   1.387
   14    H    THR   4           H        THR   4  -5.256   1.595   2.770
   15    HA   THR   4           HA       THR   4  -3.781  -0.905   2.276
   16    HB   THR   4           HB       THR   4  -6.090  -1.945   3.011
   17    HG1  THR   4           1HG      THR   4  -6.011   0.681   4.318
   18   HG21  THR   4          3HG2      THR   4  -3.758  -1.481   4.449
   19   HG22  THR   4          1HG2      THR   4  -4.968  -0.615   5.428
   20   HG23  THR   4          2HG2      THR   4  -5.174  -2.350   5.089
   21    H    CYS   5           H        CYS   5  -4.567  -2.225   0.548
   22    HA   CYS   5           HA       CYS   5  -6.157  -0.643  -1.339
   23    HB2  CYS   5           1HB      CYS   5  -4.943  -1.533  -3.130
   24    HB3  CYS   5           2HB      CYS   5  -3.748  -1.067  -1.937
   25    H    THR   6           H        THR   6  -7.457  -2.125   0.675
   26    HA   THR   6           HA       THR   6  -7.959  -4.770   0.287
   27    HB   THR   6           HB       THR   6  -9.510  -2.380   1.282
   28    HG1  THR   6           1HG      THR   6  -9.215  -3.696   3.181
   29   HG21  THR   6          3HG2      THR   6 -10.640  -5.198   0.885
   30   HG22  THR   6          1HG2      THR   6 -11.322  -4.010   2.020
   31   HG23  THR   6          2HG2      THR   6 -11.336  -3.679   0.271
   32    H    LEU   7           H        LEU   7  -8.801  -2.104  -1.847
   33    HA   LEU   7           HA       LEU   7 -10.659  -3.788  -3.310
   34    HB2  LEU   7           1HB      LEU   7  -9.829  -1.069  -4.211
   35    HB3  LEU   7           2HB      LEU   7 -11.370  -1.885  -4.374
   36    HG   LEU   7           HG       LEU   7 -10.243  -0.654  -1.845
   37   HD11  LEU   7          1HD1      LEU   7 -12.624   0.575  -2.312
   38   HD12  LEU   7          2HD1      LEU   7 -11.039   1.206  -2.819
   39   HD13  LEU   7          3HD1      LEU   7 -12.047   0.302  -3.973
   40   HD21  LEU   7          3HD2      LEU   7 -12.981  -1.893  -2.170
   41   HD22  LEU   7          1HD2      LEU   7 -11.585  -2.771  -1.501
   42   HD23  LEU   7          2HD2      LEU   7 -12.196  -1.314  -0.682
   43    H    GLY   8           H        GLY   8  -7.379  -2.577  -3.411
   44    HA2  GLY   8           1HA      GLY   8  -5.850  -4.036  -4.582
   45    HA3  GLY   8           2HA      GLY   8  -6.950  -4.040  -5.946
   46    H    THR   9           H        THR   9  -6.647  -1.000  -4.222
   47    HA   THR   9           HA       THR   9  -4.641  -0.052  -6.140
   48    HB   THR   9           HB       THR   9  -7.415   1.135  -5.609
   49    HG1  THR   9           1HG      THR   9  -7.292  -0.596  -7.185
   50   HG21  THR   9          3HG2      THR   9  -5.276   2.139  -7.545
   51   HG22  THR   9          1HG2      THR   9  -6.817   2.922  -7.121
   52   HG23  THR   9          2HG2      THR   9  -5.497   2.854  -5.929
   53    H    CYS  10           H        CYS  10  -3.646   2.024  -5.504
   54    HA   CYS  10           HA       CYS  10  -3.749   2.305  -2.587
   55    HB2  CYS  10           1HB      CYS  10  -1.386   2.378  -4.457
   56    HB3  CYS  10           2HB      CYS  10  -1.330   3.098  -2.862
   57    H    TYR  11           H        TYR  11  -3.258   4.565  -1.832
   58    HA   TYR  11           HA       TYR  11  -4.218   6.500  -3.818
   59    HB2  TYR  11           1HB      TYR  11  -4.232   6.128  -0.784
   60    HB3  TYR  11           2HB      TYR  11  -4.410   7.750  -1.420
   61    HD1  TYR  11           2HD      TYR  11  -5.795   4.935  -3.317
   62    HD2  TYR  11           1HD      TYR  11  -6.637   7.938  -0.388
   63    HE1  TYR  11           2HE      TYR  11  -8.289   4.545  -3.623
   64    HE2  TYR  11           1HE      TYR  11  -9.128   7.538  -0.705
   65    HH   TYR  11           HH       TYR  11 -10.349   4.855  -2.171
   66    H    THR  12           H        THR  12  -1.568   5.686  -1.575
   67    HA   THR  12           HA       THR  12  -0.280   8.248  -2.084
   68    HB   THR  12           HB       THR  12   0.356   5.833  -0.312
   69    HG1  THR  12           1HG      THR  12  -1.444   7.303   0.249
   70   HG21  THR  12          3HG2      THR  12   2.271   7.600  -1.226
   71   HG22  THR  12          1HG2      THR  12   1.626   8.494   0.172
   72   HG23  THR  12          2HG2      THR  12   2.303   6.863   0.394
   73    H    GLN  13           H        GLN  13   0.938   8.576  -3.826
   74    HA   GLN  13           HA       GLN  13   1.603   6.513  -5.545
   75    HB2  GLN  13           1HB      GLN  13   2.454   9.400  -5.257
   76    HB3  GLN  13           2HB      GLN  13   3.274   8.380  -6.421
   77    HG2  GLN  13           1HG      GLN  13   1.027   7.772  -7.414
   78    HG3  GLN  13           2HG      GLN  13   0.265   8.890  -6.300
   79   HE21  GLN  13          1HE2      GLN  13   0.391   8.864  -9.226
   80   HE22  GLN  13          2HE2      GLN  13   1.051  10.386  -9.724
   81    H    GLY  14           H        GLY  14   3.711   5.596  -6.104
   82    HA2  GLY  14           1HA      GLY  14   5.914   5.070  -5.707
   83    HA3  GLY  14           2HA      GLY  14   5.897   6.012  -4.230
   84    H    CYS  15           H        CYS  15   3.116   4.482  -3.734
   85    HA   CYS  15           HA       CYS  15   4.442   2.273  -2.376
   86    HB2  CYS  15           1HB      CYS  15   2.005   3.897  -1.863
   87    HB3  CYS  15           2HB      CYS  15   1.945   2.211  -1.390
   88    H    THR  16           H        THR  16   3.669   0.091  -2.663
   89    HA   THR  16           HA       THR  16   2.085  -0.248  -5.119
   90    HB   THR  16           HB       THR  16   3.247  -2.642  -4.795
   91    HG1  THR  16           1HG      THR  16   5.125  -0.783  -3.566
   92   HG21  THR  16          3HG2      THR  16   3.839  -1.058  -6.657
   93   HG22  THR  16          1HG2      THR  16   4.884  -0.157  -5.532
   94   HG23  THR  16          2HG2      THR  16   5.286  -1.835  -5.970
   95    H    CYS  17           H        CYS  17   0.322  -1.650  -5.204
   96    HA   CYS  17           HA       CYS  17  -1.040  -1.870  -2.714
   97    HB2  CYS  17           1HB      CYS  17  -2.452  -1.341  -4.463
   98    HB3  CYS  17           2HB      CYS  17  -1.690  -2.463  -5.574
   99    H    SER  18           H        SER  18   0.293  -3.319  -1.451
  100    HA   SER  18           HA       SER  18   0.474  -6.011  -2.497
  101    HB2  SER  18           1HB      SER  18   1.683  -6.288  -0.149
  102    HB3  SER  18           2HB      SER  18   2.517  -5.545  -1.500
  103    HG   SER  18           HG       SER  18   1.028  -4.020   0.458
  104    H    TRP  19           H        TRP  19  -2.003  -6.090  -2.385
  105    HA   TRP  19           HA       TRP  19  -3.608  -5.570  -0.355
  106    HB2  TRP  19           1HB      TRP  19  -4.103  -6.717  -2.579
  107    HB3  TRP  19           2HB      TRP  19  -3.778  -8.231  -1.759
  108    HD1  TRP  19           HD       TRP  19  -6.534  -5.723  -2.263
  109    HE1  TRP  19           1HE      TRP  19  -8.714  -6.321  -0.903
  110    HE3  TRP  19           3HE      TRP  19  -4.381  -9.318   0.618
  111    HZ2  TRP  19           2HZ      TRP  19  -9.282  -8.189   1.179
  112    HZ3  TRP  19           3HZ      TRP  19  -5.819 -10.480   2.290
  113    HH2  TRP  19           HH       TRP  19  -8.189  -9.968   2.595
  114    HA   PRO  20           HA       PRO  20  -4.981  -6.013   0.822
  115    HB2  PRO  20           1HB      PRO  20  -5.684  -5.574   3.427
  116    HB3  PRO  20           2HB      PRO  20  -6.350  -6.876   2.460
  117    HG2  PRO  20           1HG      PRO  20  -4.326  -7.012   4.610
  118    HG3  PRO  20           2HG      PRO  20  -5.302  -8.304   3.938
  119    HD2  PRO  20           1HD      PRO  20  -2.531  -7.790   3.403
  120    HD3  PRO  20           2HD      PRO  20  -3.537  -9.008   2.644
  121    H    ILE  21           H        ILE  21  -2.022  -5.619   2.358
  122    HA   ILE  21           HA       ILE  21  -2.603  -2.846   3.030
  123    HB   ILE  21           HB       ILE  21  -0.342  -4.719   3.717
  124   HG12  ILE  21          1HG1      ILE  21  -2.775  -4.693   4.811
  125   HG13  ILE  21          2HG1      ILE  21  -1.324  -5.018   5.739
  126   HG21  ILE  21          1HG2      ILE  21   0.751  -2.653   3.528
  127   HG22  ILE  21          2HG2      ILE  21  -0.629  -1.756   4.206
  128   HG23  ILE  21          3HG2      ILE  21   0.358  -2.800   5.258
  129   HD11  ILE  21          3HD1      ILE  21  -1.346  -2.938   6.786
  130   HD12  ILE  21          1HD1      ILE  21  -2.158  -2.140   5.417
  131   HD13  ILE  21          2HD1      ILE  21  -3.092  -3.170   6.529
  132    H    CYS  22           H        CYS  22  -1.019  -1.139   2.407
  133    HA   CYS  22           HA       CYS  22   0.095  -1.723  -0.224
  134    HB2  CYS  22           1HB      CYS  22  -0.753   0.801   1.161
  135    HB3  CYS  22           2HB      CYS  22   0.408   0.871  -0.150
  136    H    LYS  23           H        LYS  23   2.295  -2.033  -0.389
  137    HA   LYS  23           HA       LYS  23   3.913  -1.134   1.892
  138    HB2  LYS  23           1HB      LYS  23   3.903  -3.644   0.279
  139    HB3  LYS  23           2HB      LYS  23   5.460  -3.030   0.796
  140    HG2  LYS  23           1HG      LYS  23   4.933  -4.280   2.675
  141    HG3  LYS  23           2HG      LYS  23   4.198  -2.762   3.151
  142    HD2  LYS  23           1HD      LYS  23   1.997  -3.546   2.243
  143    HD3  LYS  23           2HD      LYS  23   2.733  -5.067   1.781
  144    HE2  LYS  23           1HE      LYS  23   3.453  -4.768   4.492
  145    HE3  LYS  23           2HE      LYS  23   1.804  -4.176   4.429
  146    HZ1  LYS  23           2HZ      LYS  23   2.385  -6.762   4.608
  147    HZ3  LYS  23           1HZ      LYS  23   2.313  -6.657   2.985
  148    H    ARG  24           H        ARG  24   6.193  -0.516   1.322
  149    HA   ARG  24           HA       ARG  24   6.268   0.562  -1.378
  150    HB2  ARG  24           1HB      ARG  24   5.842   2.236   0.625
  151    HB3  ARG  24           2HB      ARG  24   7.543   2.005   0.975
  152    HG2  ARG  24           1HG      ARG  24   8.035   2.625  -1.462
  153    HG3  ARG  24           2HG      ARG  24   6.344   3.052  -1.629
  154    HD2  ARG  24           1HD      ARG  24   7.413   4.300   0.776
  155    HD3  ARG  24           2HD      ARG  24   8.457   4.673  -0.581
  156    HE   ARG  24           HE       ARG  24   5.823   5.044  -1.517
  157   HH11  ARG  24          2HH2      ARG  24   7.894   6.418   0.975
  158   HH12  ARG  24          1HH2      ARG  24   7.129   7.972   0.934
  159   HH21  ARG  24          2HH1      ARG  24   4.813   7.094  -1.571
  160   HH22  ARG  24          1HH1      ARG  24   5.366   8.359  -0.525
  161    H    ASN  25           H        ASN  25   7.819  -0.740  -2.352
  162    HA   ASN  25           HA       ASN  25   9.735  -1.658  -2.780
  163    HB2  ASN  25           1HB      ASN  25  10.736   0.262  -0.621
  164    HB3  ASN  25           2HB      ASN  25  11.826  -0.770  -1.525
  165   HD21  ASN  25          1HD2      ASN  25  11.080   2.234  -1.340
  166   HD22  ASN  25          2HD2      ASN  25  11.024   2.762  -2.989
  167    H    GLY  26           H        GLY  26   7.900  -2.692  -0.611
  168    HA2  GLY  26           1HA      GLY  26   7.966  -4.655   0.568
  169    HA3  GLY  26           2HA      GLY  26   9.718  -4.645   0.527
  170    H    LEU  27           H        LEU  27   7.476  -2.021   1.619
  171    HA   LEU  27           HA       LEU  27   8.166  -2.548   4.375
  172    HB2  LEU  27           1HB      LEU  27   8.874   0.109   3.130
  173    HB3  LEU  27           2HB      LEU  27   9.097  -0.373   4.800
  174    HG   LEU  27           HG       LEU  27  10.495  -1.723   2.479
  175   HD11  LEU  27          1HD1      LEU  27  11.640   0.416   4.292
  176   HD12  LEU  27          2HD1      LEU  27  12.438  -0.389   2.919
  177   HD13  LEU  27          3HD1      LEU  27  11.060   0.702   2.633
  178   HD21  LEU  27          3HD2      LEU  27  11.617  -2.995   3.978
  179   HD22  LEU  27          1HD2      LEU  27  11.601  -1.736   5.236
  180   HD23  LEU  27          2HD2      LEU  27  10.146  -2.721   4.943
  181    HA   PRO  28           HA       PRO  28   4.021  -1.181   4.354
  182    HB2  PRO  28           1HB      PRO  28   3.408  -1.921   6.912
  183    HB3  PRO  28           2HB      PRO  28   3.312  -3.018   5.548
  184    HG2  PRO  28           1HG      PRO  28   5.352  -2.890   7.683
  185    HG3  PRO  28           2HG      PRO  28   4.997  -4.206   6.581
  186    HD2  PRO  28           1HD      PRO  28   7.201  -2.378   6.419
  187    HD3  PRO  28           2HD      PRO  28   6.781  -3.618   5.255
  188    H    VAL  29           H        VAL  29   5.632   0.883   4.262
  189    HA   VAL  29           HA       VAL  29   5.014   2.386   6.701
  190    HB   VAL  29           HB       VAL  29   7.377   2.164   6.060
  191   HG11  VAL  29          1HG1      VAL  29   8.134   2.433   3.975
  192   HG12  VAL  29          2HG1      VAL  29   6.436   2.537   3.451
  193   HG13  VAL  29          3HG1      VAL  29   7.346   4.022   3.822
  194   HG21  VAL  29          3HG2      VAL  29   7.463   4.921   5.615
  195   HG22  VAL  29          1HG2      VAL  29   5.930   4.658   6.481
  196   HG23  VAL  29          2HG2      VAL  29   7.462   4.093   7.191
  Start of MODEL    6
    1    H1   CYS   1           H        CYS   1   3.028   1.714   4.561
    2    HA   CYS   1           HA       CYS   1   2.653   4.341   3.355
    3    HB2  CYS   1           1HB      CYS   1   1.191   1.759   2.769
    4    HB3  CYS   1           2HB      CYS   1   1.054   3.265   1.883
    5    H    GLY   2           H        GLY   2   1.042   1.770   5.338
    6    HA2  GLY   2           1HA      GLY   2  -0.342   2.111   7.138
    7    HA3  GLY   2           2HA      GLY   2  -0.478   3.812   6.739
    8    H    GLU   3           H        GLU   3  -1.214   3.568   3.946
    9    HA   GLU   3           HA       GLU   3  -3.964   3.138   4.310
   10    HB2  GLU   3           1HB      GLU   3  -4.080   3.631   1.842
   11    HB3  GLU   3           2HB      GLU   3  -3.211   4.842   2.763
   12    HG2  GLU   3           1HG      GLU   3  -1.061   3.988   2.044
   13    HG3  GLU   3           2HG      GLU   3  -1.778   2.527   1.395
   14    H    THR   4           H        THR   4  -5.288   1.695   2.756
   15    HA   THR   4           HA       THR   4  -3.852  -0.831   2.275
   16    HB   THR   4           HB       THR   4  -6.151  -1.853   3.002
   17    HG1  THR   4           1HG      THR   4  -7.274  -0.288   4.422
   18   HG21  THR   4          3HG2      THR   4  -5.071  -0.421   5.395
   19   HG22  THR   4          1HG2      THR   4  -5.327  -2.164   5.143
   20   HG23  THR   4          2HG2      THR   4  -3.874  -1.375   4.485
   21    H    CYS   5           H        CYS   5  -4.669  -2.152   0.551
   22    HA   CYS   5           HA       CYS   5  -6.226  -0.549  -1.348
   23    HB2  CYS   5           1HB      CYS   5  -4.993  -1.405  -3.134
   24    HB3  CYS   5           2HB      CYS   5  -3.803  -0.970  -1.922
   25    H    THR   6           H        THR   6  -7.537  -2.046   0.646
   26    HA   THR   6           HA       THR   6  -8.022  -4.694   0.231
   27    HB   THR   6           HB       THR   6  -9.583  -2.320   1.253
   28    HG1  THR   6           1HG      THR   6  -8.520  -3.327   2.919
   29   HG21  THR   6          3HG2      THR   6 -11.406  -3.612   0.231
   30   HG22  THR   6          1HG2      THR   6 -10.700  -5.139   0.816
   31   HG23  THR   6          2HG2      THR   6 -11.385  -3.973   1.974
   32    H    LEU   7           H        LEU   7  -8.883  -2.001  -1.866
   33    HA   LEU   7           HA       LEU   7 -10.723  -3.683  -3.355
   34    HB2  LEU   7           1HB      LEU   7  -9.934  -0.939  -4.214
   35    HB3  LEU   7           2HB      LEU   7 -11.467  -1.771  -4.379
   36    HG   LEU   7           HG       LEU   7 -10.337  -0.560  -1.842
   37   HD11  LEU   7          1HD1      LEU   7 -12.854   0.523  -2.437
   38   HD12  LEU   7          2HD1      LEU   7 -11.267   1.317  -2.576
   39   HD13  LEU   7          3HD1      LEU   7 -11.972   0.487  -3.983
   40   HD21  LEU   7          3HD2      LEU   7 -11.650  -2.711  -1.532
   41   HD22  LEU   7          1HD2      LEU   7 -12.252  -1.279  -0.662
   42   HD23  LEU   7          2HD2      LEU   7 -13.065  -1.824  -2.149
   43    H    GLY   8           H        GLY   8  -7.454  -2.442  -3.422
   44    HA2  GLY   8           1HA      GLY   8  -5.899  -3.845  -4.618
   45    HA3  GLY   8           2HA      GLY   8  -7.006  -3.864  -5.976
   46    H    THR   9           H        THR   9  -6.698  -0.848  -4.181
   47    HA   THR   9           HA       THR   9  -4.783   0.171  -6.156
   48    HB   THR   9           HB       THR   9  -7.505   1.379  -5.432
   49    HG1  THR   9           1HG      THR   9  -6.251   0.369  -7.888
   50   HG21  THR   9          3HG2      THR   9  -5.485   2.988  -5.978
   51   HG22  THR   9          1HG2      THR   9  -5.604   2.308  -7.619
   52   HG23  THR   9          2HG2      THR   9  -6.989   3.175  -6.913
   53    H    CYS  10           H        CYS  10  -3.713   2.177  -5.499
   54    HA   CYS  10           HA       CYS  10  -3.776   2.469  -2.584
   55    HB2  CYS  10           1HB      CYS  10  -1.401   2.303  -4.431
   56    HB3  CYS  10           2HB      CYS  10  -1.295   3.075  -2.861
   57    H    TYR  11           H        TYR  11  -3.574   4.658  -1.829
   58    HA   TYR  11           HA       TYR  11  -4.249   6.625  -3.851
   59    HB2  TYR  11           1HB      TYR  11  -3.893   6.768  -0.793
   60    HB3  TYR  11           2HB      TYR  11  -4.735   7.955  -1.771
   61    HD1  TYR  11           2HD      TYR  11  -5.890   5.359  -3.455
   62    HD2  TYR  11           1HD      TYR  11  -6.027   6.772   0.582
   63    HE1  TYR  11           2HE      TYR  11  -8.073   4.111  -3.085
   64    HE2  TYR  11           1HE      TYR  11  -8.210   5.519   0.938
   65    HH   TYR  11           HH       TYR  11  -9.231   3.115  -0.919
   66    H    THR  12           H        THR  12  -1.676   5.902  -1.431
   67    HA   THR  12           HA       THR  12  -0.235   8.304  -2.120
   68    HB   THR  12           HB       THR  12   0.285   5.895  -0.307
   69    HG1  THR  12           1HG      THR  12  -0.354   7.494   1.229
   70   HG21  THR  12          3HG2      THR  12   2.407   6.648   0.081
   71   HG22  THR  12          1HG2      THR  12   2.232   7.711  -1.335
   72   HG23  THR  12          2HG2      THR  12   1.814   8.314   0.287
   73    H    GLN  13           H        GLN  13   0.935   8.545  -3.907
   74    HA   GLN  13           HA       GLN  13   1.478   6.415  -5.591
   75    HB2  GLN  13           1HB      GLN  13   1.353   8.945  -6.110
   76    HB3  GLN  13           2HB      GLN  13   3.011   9.042  -5.550
   77    HG2  GLN  13           1HG      GLN  13   3.815   8.147  -7.481
   78    HG3  GLN  13           2HG      GLN  13   2.688   6.807  -7.416
   79   HE21  GLN  13          1HE2      GLN  13   0.955   6.772  -8.691
   80   HE22  GLN  13          2HE2      GLN  13   0.463   8.030  -9.774
   81    H    GLY  14           H        GLY  14   3.558   5.444  -6.202
   82    HA2  GLY  14           1HA      GLY  14   5.743   4.841  -5.847
   83    HA3  GLY  14           2HA      GLY  14   5.803   5.827  -4.400
   84    H    CYS  15           H        CYS  15   3.013   4.441  -3.713
   85    HA   CYS  15           HA       CYS  15   4.302   2.230  -2.337
   86    HB2  CYS  15           1HB      CYS  15   1.916   3.929  -1.837
   87    HB3  CYS  15           2HB      CYS  15   1.824   2.264  -1.301
   88    H    THR  16           H        THR  16   3.869   0.099  -2.903
   89    HA   THR  16           HA       THR  16   2.107  -0.298  -5.186
   90    HB   THR  16           HB       THR  16   3.236  -2.689  -4.842
   91    HG1  THR  16           1HG      THR  16   5.122  -2.456  -3.511
   92   HG21  THR  16          3HG2      THR  16   3.885  -0.960  -6.635
   93   HG22  THR  16          1HG2      THR  16   5.063  -0.317  -5.468
   94   HG23  THR  16          2HG2      THR  16   5.223  -1.986  -6.063
   95    H    CYS  17           H        CYS  17   0.335  -1.698  -5.243
   96    HA   CYS  17           HA       CYS  17  -1.031  -1.843  -2.744
   97    HB2  CYS  17           1HB      CYS  17  -2.422  -1.316  -4.522
   98    HB3  CYS  17           2HB      CYS  17  -1.701  -2.503  -5.589
   99    H    SER  18           H        SER  18   0.308  -3.286  -1.471
  100    HA   SER  18           HA       SER  18   0.471  -5.993  -2.467
  101    HB2  SER  18           1HB      SER  18   1.418  -5.106   0.267
  102    HB3  SER  18           2HB      SER  18   2.035  -6.403  -0.737
  103    HG   SER  18           HG       SER  18   2.253  -3.583  -1.372
  104    H    TRP  19           H        TRP  19  -2.023  -6.017  -2.407
  105    HA   TRP  19           HA       TRP  19  -3.650  -5.484  -0.395
  106    HB2  TRP  19           1HB      TRP  19  -4.150  -6.587  -2.629
  107    HB3  TRP  19           2HB      TRP  19  -3.832  -8.121  -1.846
  108    HD1  TRP  19           HD       TRP  19  -6.588  -5.622  -2.321
  109    HE1  TRP  19           1HE      TRP  19  -8.772  -6.241  -0.974
  110    HE3  TRP  19           3HE      TRP  19  -4.432  -9.232   0.537
  111    HZ2  TRP  19           2HZ      TRP  19  -9.339  -8.129   1.090
  112    HZ3  TRP  19           3HZ      TRP  19  -5.871 -10.416   2.194
  113    HH2  TRP  19           HH       TRP  19  -8.244  -9.915   2.494
  114    HA   PRO  20           HA       PRO  20  -5.040  -5.904   0.762
  115    HB2  PRO  20           1HB      PRO  20  -5.767  -5.470   3.361
  116    HB3  PRO  20           2HB      PRO  20  -6.449  -6.750   2.377
  117    HG2  PRO  20           1HG      PRO  20  -4.455  -6.945   4.550
  118    HG3  PRO  20           2HG      PRO  20  -5.449  -8.209   3.857
  119    HD2  PRO  20           1HD      PRO  20  -2.662  -7.751   3.359
  120    HD3  PRO  20           2HD      PRO  20  -3.684  -8.942   2.578
  121    H    ILE  21           H        ILE  21  -2.092  -5.584   2.327
  122    HA   ILE  21           HA       ILE  21  -2.619  -2.812   3.037
  123    HB   ILE  21           HB       ILE  21  -0.337  -4.690   3.655
  124   HG12  ILE  21          1HG1      ILE  21  -2.378  -5.275   4.825
  125   HG13  ILE  21          2HG1      ILE  21  -1.211  -4.603   5.946
  126   HG21  ILE  21          1HG2      ILE  21   0.619  -2.517   3.533
  127   HG22  ILE  21          2HG2      ILE  21  -0.753  -1.787   4.402
  128   HG23  ILE  21          3HG2      ILE  21   0.364  -2.878   5.257
  129   HD11  ILE  21          3HD1      ILE  21  -3.730  -3.326   4.848
  130   HD12  ILE  21          1HD1      ILE  21  -3.204  -3.490   6.541
  131   HD13  ILE  21          2HD1      ILE  21  -2.408  -2.310   5.472
  132    H    CYS  22           H        CYS  22  -1.036  -1.113   2.423
  133    HA   CYS  22           HA       CYS  22   0.073  -1.674  -0.216
  134    HB2  CYS  22           1HB      CYS  22  -0.701   0.865   1.202
  135    HB3  CYS  22           2HB      CYS  22   0.382   0.893  -0.175
  136    H    LYS  23           H        LYS  23   2.295  -1.836  -0.462
  137    HA   LYS  23           HA       LYS  23   3.906  -1.058   1.869
  138    HB2  LYS  23           1HB      LYS  23   3.892  -3.501   0.169
  139    HB3  LYS  23           2HB      LYS  23   5.464  -2.885   0.637
  140    HG2  LYS  23           1HG      LYS  23   5.085  -4.124   2.536
  141    HG3  LYS  23           2HG      LYS  23   4.206  -2.696   3.045
  142    HD2  LYS  23           1HD      LYS  23   2.079  -3.652   2.290
  143    HD3  LYS  23           2HD      LYS  23   2.898  -5.009   1.544
  144    HE2  LYS  23           1HE      LYS  23   3.503  -4.607   4.444
  145    HE3  LYS  23           2HE      LYS  23   1.846  -5.054   4.087
  146    HZ1  LYS  23           2HZ      LYS  23   4.292  -6.572   3.401
  147    HZ3  LYS  23           1HZ      LYS  23   2.873  -6.897   2.673
  148    H    ARG  24           H        ARG  24   6.158  -0.352   1.335
  149    HA   ARG  24           HA       ARG  24   6.207   0.845  -1.317
  150    HB2  ARG  24           1HB      ARG  24   5.742   2.461   0.664
  151    HB3  ARG  24           2HB      ARG  24   7.389   2.154   1.175
  152    HG2  ARG  24           1HG      ARG  24   8.196   2.904  -1.100
  153    HG3  ARG  24           2HG      ARG  24   6.543   3.287  -1.534
  154    HD2  ARG  24           1HD      ARG  24   7.126   4.521   1.025
  155    HD3  ARG  24           2HD      ARG  24   8.415   4.925  -0.093
  156    HE   ARG  24           HE       ARG  24   5.824   5.225  -1.358
  157   HH11  ARG  24          2HH2      ARG  24   8.040   6.792   0.881
  158   HH12  ARG  24          1HH2      ARG  24   7.440   8.385   0.560
  159   HH21  ARG  24          2HH1      ARG  24   5.032   7.326  -1.781
  160   HH22  ARG  24          1HH1      ARG  24   5.717   8.691  -0.964
  161    H    ASN  25           H        ASN  25   7.713  -0.533  -2.302
  162    HA   ASN  25           HA       ASN  25   9.657  -1.353  -2.808
  163    HB2  ASN  25           1HB      ASN  25  10.844   0.239  -0.475
  164    HB3  ASN  25           2HB      ASN  25  11.743  -0.441  -1.817
  165   HD21  ASN  25          1HD2      ASN  25  10.494   2.307  -0.605
  166   HD22  ASN  25          2HD2      ASN  25  10.264   3.254  -2.039
  167    H    GLY  26           H        GLY  26   7.832  -2.452  -0.628
  168    HA2  GLY  26           1HA      GLY  26   7.917  -4.491   0.431
  169    HA3  GLY  26           2HA      GLY  26   9.669  -4.462   0.394
  170    H    LEU  27           H        LEU  27   7.420  -1.896   1.593
  171    HA   LEU  27           HA       LEU  27   8.092  -2.547   4.327
  172    HB2  LEU  27           1HB      LEU  27   8.813   0.162   3.209
  173    HB3  LEU  27           2HB      LEU  27   9.028  -0.399   4.855
  174    HG   LEU  27           HG       LEU  27  10.437  -1.627   2.473
  175   HD11  LEU  27          1HD1      LEU  27  11.218   0.673   4.250
  176   HD12  LEU  27          2HD1      LEU  27  12.451  -0.372   3.502
  177   HD13  LEU  27          3HD1      LEU  27  11.306   0.527   2.477
  178   HD21  LEU  27          3HD2      LEU  27  11.461  -3.045   3.885
  179   HD22  LEU  27          1HD2      LEU  27  11.585  -1.835   5.185
  180   HD23  LEU  27          2HD2      LEU  27  10.060  -2.717   4.932
  181    HA   PRO  28           HA       PRO  28   3.961  -1.162   4.386
  182    HB2  PRO  28           1HB      PRO  28   3.380  -1.906   6.951
  183    HB3  PRO  28           2HB      PRO  28   3.271  -3.001   5.588
  184    HG2  PRO  28           1HG      PRO  28   5.336  -2.869   7.699
  185    HG3  PRO  28           2HG      PRO  28   4.972  -4.184   6.600
  186    HD2  PRO  28           1HD      PRO  28   7.169  -2.349   6.414
  187    HD3  PRO  28           2HD      PRO  28   6.739  -3.590   5.253
  188    H    VAL  29           H        VAL  29   5.591   0.901   4.293
  189    HA   VAL  29           HA       VAL  29   4.970   2.404   6.732
  190    HB   VAL  29           HB       VAL  29   7.336   2.170   6.087
  191   HG11  VAL  29          1HG1      VAL  29   7.405   4.039   3.896
  192   HG12  VAL  29          2HG1      VAL  29   8.037   2.377   3.981
  193   HG13  VAL  29          3HG1      VAL  29   6.356   2.664   3.476
  194   HG21  VAL  29          3HG2      VAL  29   5.905   4.709   6.453
  195   HG22  VAL  29          1HG2      VAL  29   7.349   4.075   7.278
  196   HG23  VAL  29          2HG2      VAL  29   7.510   4.898   5.709
  Start of MODEL    7
    1    H1   CYS   1           H        CYS   1   3.129   1.523   4.718
    2    HA   CYS   1           HA       CYS   1   2.957   4.186   3.550
    3    HB2  CYS   1           1HB      CYS   1   1.444   1.655   2.871
    4    HB3  CYS   1           2HB      CYS   1   1.283   3.193   2.046
    5    H    GLY   2           H        GLY   2   1.140   1.708   5.463
    6    HA2  GLY   2           1HA      GLY   2  -0.283   2.133   7.218
    7    HA3  GLY   2           2HA      GLY   2  -0.338   3.832   6.790
    8    H    GLU   3           H        GLU   3  -0.962   3.511   3.952
    9    HA   GLU   3           HA       GLU   3  -3.742   3.256   4.216
   10    HB2  GLU   3           1HB      GLU   3  -2.719   4.821   2.619
   11    HB3  GLU   3           2HB      GLU   3  -1.961   3.500   1.752
   12    HG2  GLU   3           1HG      GLU   3  -4.108   2.629   1.019
   13    HG3  GLU   3           2HG      GLU   3  -4.984   3.688   2.106
   14    H    THR   4           H        THR   4  -5.072   1.823   2.629
   15    HA   THR   4           HA       THR   4  -3.775  -0.798   2.317
   16    HB   THR   4           HB       THR   4  -6.173  -1.638   3.051
   17    HG1  THR   4           1HG      THR   4  -7.092   0.522   3.091
   18   HG21  THR   4          3HG2      THR   4  -3.886  -0.678   4.716
   19   HG22  THR   4          1HG2      THR   4  -5.436  -0.809   5.582
   20   HG23  THR   4          2HG2      THR   4  -4.747  -2.235   4.770
   21    H    CYS   5           H        CYS   5  -4.617  -2.135   0.631
   22    HA   CYS   5           HA       CYS   5  -6.159  -0.568  -1.310
   23    HB2  CYS   5           1HB      CYS   5  -4.916  -1.440  -3.084
   24    HB3  CYS   5           2HB      CYS   5  -3.735  -0.955  -1.884
   25    H    THR   6           H        THR   6  -7.472  -2.031   0.688
   26    HA   THR   6           HA       THR   6  -7.913  -4.697   0.334
   27    HB   THR   6           HB       THR   6  -9.514  -2.323   1.287
   28    HG1  THR   6           1HG      THR   6  -9.394  -3.854   3.169
   29   HG21  THR   6          3HG2      THR   6 -10.596  -5.163   0.900
   30   HG22  THR   6          1HG2      THR   6 -11.307  -3.978   2.021
   31   HG23  THR   6          2HG2      THR   6 -11.310  -3.658   0.270
   32    H    LEU   7           H        LEU   7  -8.773  -2.074  -1.844
   33    HA   LEU   7           HA       LEU   7 -10.593  -3.801  -3.302
   34    HB2  LEU   7           1HB      LEU   7  -9.782  -1.088  -4.236
   35    HB3  LEU   7           2HB      LEU   7 -11.314  -1.922  -4.403
   36    HG   LEU   7           HG       LEU   7 -10.227  -0.649  -1.876
   37   HD11  LEU   7          1HD1      LEU   7 -11.551   1.153  -2.252
   38   HD12  LEU   7          2HD1      LEU   7 -11.276   0.678  -3.946
   39   HD13  LEU   7          3HD1      LEU   7 -12.785   0.213  -3.126
   40   HD21  LEU   7          3HD2      LEU   7 -11.560  -2.758  -1.508
   41   HD22  LEU   7          1HD2      LEU   7 -12.214  -1.289  -0.744
   42   HD23  LEU   7          2HD2      LEU   7 -12.948  -1.917  -2.239
   43    H    GLY   8           H        GLY   8  -7.325  -2.569  -3.376
   44    HA2  GLY   8           1HA      GLY   8  -5.770  -4.049  -4.502
   45    HA3  GLY   8           2HA      GLY   8  -6.850  -4.069  -5.882
   46    H    THR   9           H        THR   9  -6.680  -0.996  -4.248
   47    HA   THR   9           HA       THR   9  -4.596  -0.055  -6.087
   48    HB   THR   9           HB       THR   9  -7.379   1.163  -5.686
   49    HG1  THR   9           1HG      THR   9  -5.936  -0.002  -7.960
   50   HG21  THR   9          3HG2      THR   9  -6.745   2.840  -7.264
   51   HG22  THR   9          1HG2      THR   9  -5.337   2.749  -6.180
   52   HG23  THR   9          2HG2      THR   9  -5.294   1.939  -7.764
   53    H    CYS  10           H        CYS  10  -3.620   2.003  -5.451
   54    HA   CYS  10           HA       CYS  10  -3.963   2.463  -2.578
   55    HB2  CYS  10           1HB      CYS  10  -1.394   2.334  -4.161
   56    HB3  CYS  10           2HB      CYS  10  -1.505   3.034  -2.559
   57    H    TYR  11           H        TYR  11  -3.839   4.697  -1.936
   58    HA   TYR  11           HA       TYR  11  -4.351   6.531  -4.125
   59    HB2  TYR  11           1HB      TYR  11  -4.358   6.658  -1.045
   60    HB3  TYR  11           2HB      TYR  11  -4.841   8.011  -2.049
   61    HD1  TYR  11           2HD      TYR  11  -5.915   5.220  -3.807
   62    HD2  TYR  11           1HD      TYR  11  -6.840   7.447  -0.273
   63    HE1  TYR  11           2HE      TYR  11  -8.296   4.330  -3.861
   64    HE2  TYR  11           1HE      TYR  11  -9.218   6.550  -0.338
   65    HH   TYR  11           HH       TYR  11 -10.612   5.329  -2.905
   66    H    THR  12           H        THR  12  -1.935   5.892  -1.546
   67    HA   THR  12           HA       THR  12  -0.492   8.315  -2.130
   68    HB   THR  12           HB       THR  12   0.079   5.859  -0.387
   69    HG1  THR  12           1HG      THR  12  -1.033   7.132   1.088
   70   HG21  THR  12          3HG2      THR  12   1.919   7.838  -1.197
   71   HG22  THR  12          1HG2      THR  12   1.290   8.445   0.353
   72   HG23  THR  12          2HG2      THR  12   2.046   6.836   0.269
   73    H    GLN  13           H        GLN  13   0.631   8.582  -3.951
   74    HA   GLN  13           HA       GLN  13   1.358   6.441  -5.560
   75    HB2  GLN  13           1HB      GLN  13   2.296   9.338  -5.488
   76    HB3  GLN  13           2HB      GLN  13   2.771   8.216  -6.746
   77    HG2  GLN  13           1HG      GLN  13   0.369   7.826  -7.315
   78    HG3  GLN  13           2HG      GLN  13  -0.116   8.933  -6.046
   79   HE21  GLN  13          1HE2      GLN  13   1.174   8.563  -9.221
   80   HE22  GLN  13          2HE2      GLN  13   1.206  10.228  -9.694
   81    H    GLY  14           H        GLY  14   3.405   5.444  -5.977
   82    HA2  GLY  14           1HA      GLY  14   5.695   5.159  -5.622
   83    HA3  GLY  14           2HA      GLY  14   5.608   6.129  -4.166
   84    H    CYS  15           H        CYS  15   2.929   4.482  -3.611
   85    HA   CYS  15           HA       CYS  15   4.372   2.323  -2.282
   86    HB2  CYS  15           1HB      CYS  15   1.937   3.908  -1.643
   87    HB3  CYS  15           2HB      CYS  15   1.946   2.228  -1.147
   88    H    THR  16           H        THR  16   3.925   0.176  -2.821
   89    HA   THR  16           HA       THR  16   2.161  -0.214  -5.105
   90    HB   THR  16           HB       THR  16   3.309  -2.602  -4.778
   91    HG1  THR  16           1HG      THR  16   5.194  -2.364  -3.452
   92   HG21  THR  16          3HG2      THR  16   3.931  -0.873  -6.573
   93   HG22  THR  16          1HG2      THR  16   5.103  -0.205  -5.411
   94   HG23  THR  16          2HG2      THR  16   5.289  -1.873  -6.003
   95    H    CYS  17           H        CYS  17   0.415  -1.656  -5.172
   96    HA   CYS  17           HA       CYS  17  -0.947  -1.827  -2.668
   97    HB2  CYS  17           1HB      CYS  17  -2.355  -1.289  -4.424
   98    HB3  CYS  17           2HB      CYS  17  -1.623  -2.446  -5.519
   99    H    SER  18           H        SER  18   0.342  -3.286  -1.389
  100    HA   SER  18           HA       SER  18   0.507  -5.982  -2.436
  101    HB2  SER  18           1HB      SER  18   1.526  -5.239   0.297
  102    HB3  SER  18           2HB      SER  18   2.176  -6.392  -0.852
  103    HG   SER  18           HG       SER  18   3.541  -4.846  -1.406
  104    H    TRP  19           H        TRP  19  -1.956  -6.076  -2.313
  105    HA   TRP  19           HA       TRP  19  -3.560  -5.524  -0.286
  106    HB2  TRP  19           1HB      TRP  19  -4.059  -6.698  -2.495
  107    HB3  TRP  19           2HB      TRP  19  -3.732  -8.202  -1.658
  108    HD1  TRP  19           HD       TRP  19  -6.484  -5.682  -2.165
  109    HE1  TRP  19           1HE      TRP  19  -8.663  -6.274  -0.801
  110    HE3  TRP  19           3HE      TRP  19  -4.339  -9.289   0.707
  111    HZ2  TRP  19           2HZ      TRP  19  -9.233  -8.142   1.280
  112    HZ3  TRP  19           3HZ      TRP  19  -5.777 -10.448   2.381
  113    HH2  TRP  19           HH       TRP  19  -8.145  -9.926   2.691
  114    HA   PRO  20           HA       PRO  20  -4.949  -5.981   0.884
  115    HB2  PRO  20           1HB      PRO  20  -5.680  -5.532   3.479
  116    HB3  PRO  20           2HB      PRO  20  -6.321  -6.849   2.518
  117    HG2  PRO  20           1HG      PRO  20  -4.313  -6.944   4.685
  118    HG3  PRO  20           2HG      PRO  20  -5.267  -8.251   4.015
  119    HD2  PRO  20           1HD      PRO  20  -2.499  -7.708   3.497
  120    HD3  PRO  20           2HD      PRO  20  -3.484  -8.944   2.740
  121    H    ILE  21           H        ILE  21  -2.007  -5.539   2.433
  122    HA   ILE  21           HA       ILE  21  -2.627  -2.762   3.065
  123    HB   ILE  21           HB       ILE  21  -0.307  -4.548   3.801
  124   HG12  ILE  21          1HG1      ILE  21  -2.543  -5.050   4.842
  125   HG13  ILE  21          2HG1      ILE  21  -1.252  -4.682   5.969
  126   HG21  ILE  21          1HG2      ILE  21   0.456  -2.247   3.596
  127   HG22  ILE  21          2HG2      ILE  21  -0.883  -1.689   4.627
  128   HG23  ILE  21          3HG2      ILE  21   0.387  -2.733   5.308
  129   HD11  ILE  21          3HD1      ILE  21  -3.736  -3.472   5.971
  130   HD12  ILE  21          1HD1      ILE  21  -2.274  -2.778   6.712
  131   HD13  ILE  21          2HD1      ILE  21  -2.758  -2.288   5.071
  132    H    CYS  22           H        CYS  22  -1.003  -1.066   2.473
  133    HA   CYS  22           HA       CYS  22   0.133  -1.663  -0.145
  134    HB2  CYS  22           1HB      CYS  22  -0.484   0.943   1.251
  135    HB3  CYS  22           2HB      CYS  22   0.436   0.847  -0.238
  136    H    LYS  23           H        LYS  23   2.375  -1.689  -0.437
  137    HA   LYS  23           HA       LYS  23   3.968  -0.993   1.932
  138    HB2  LYS  23           1HB      LYS  23   4.001  -3.411   0.179
  139    HB3  LYS  23           2HB      LYS  23   5.541  -2.809   0.758
  140    HG2  LYS  23           1HG      LYS  23   4.789  -4.375   2.415
  141    HG3  LYS  23           2HG      LYS  23   4.546  -2.788   3.117
  142    HD2  LYS  23           1HD      LYS  23   2.223  -2.912   2.967
  143    HD3  LYS  23           2HD      LYS  23   2.256  -3.923   1.537
  144    HE2  LYS  23           1HE      LYS  23   2.762  -4.771   4.420
  145    HE3  LYS  23           2HE      LYS  23   1.478  -5.313   3.358
  146    HZ1  LYS  23           2HZ      LYS  23   2.897  -6.720   2.257
  147    HZ3  LYS  23           1HZ      LYS  23   3.699  -6.702   3.673
  148    H    ARG  24           H        ARG  24   6.182  -0.220   1.448
  149    HA   ARG  24           HA       ARG  24   6.236   1.013  -1.189
  150    HB2  ARG  24           1HB      ARG  24   5.893   2.512   0.957
  151    HB3  ARG  24           2HB      ARG  24   7.595   2.218   1.253
  152    HG2  ARG  24           1HG      ARG  24   7.969   2.994  -1.214
  153    HG3  ARG  24           2HG      ARG  24   6.329   3.607  -1.141
  154    HD2  ARG  24           1HD      ARG  24   6.858   5.252   0.452
  155    HD3  ARG  24           2HD      ARG  24   8.204   4.340   1.110
  156    HE   ARG  24           HE       ARG  24   9.614   5.192  -0.587
  157   HH11  ARG  24          2HH2      ARG  24   6.261   6.034  -1.242
  158   HH12  ARG  24          1HH2      ARG  24   6.656   7.164  -2.494
  159   HH21  ARG  24          2HH1      ARG  24  10.136   6.683  -2.239
  160   HH22  ARG  24          1HH1      ARG  24   8.874   7.535  -3.065
  161    H    ASN  25           H        ASN  25   7.647  -0.444  -2.230
  162    HA   ASN  25           HA       ASN  25   9.579  -1.237  -2.840
  163    HB2  ASN  25           1HB      ASN  25  10.901   0.084  -0.419
  164    HB3  ASN  25           2HB      ASN  25  11.694  -0.431  -1.894
  165   HD21  ASN  25          1HD2      ASN  25  10.716   2.174  -0.275
  166   HD22  ASN  25          2HD2      ASN  25  10.377   3.296  -1.550
  167    H    GLY  26           H        GLY  26   7.738  -2.380  -0.668
  168    HA2  GLY  26           1HA      GLY  26   7.756  -4.495   0.243
  169    HA3  GLY  26           2HA      GLY  26   9.507  -4.534   0.177
  170    H    LEU  27           H        LEU  27   7.393  -1.951   1.571
  171    HA   LEU  27           HA       LEU  27   8.124  -2.796   4.246
  172    HB2  LEU  27           1HB      LEU  27   8.813  -0.031   3.251
  173    HB3  LEU  27           2HB      LEU  27   9.056  -0.662   4.868
  174    HG   LEU  27           HG       LEU  27  10.409  -1.852   2.439
  175   HD11  LEU  27          1HD1      LEU  27  11.222   0.332   2.376
  176   HD12  LEU  27          2HD1      LEU  27  11.238   0.486   4.149
  177   HD13  LEU  27          3HD1      LEU  27  12.439  -0.545   3.335
  178   HD21  LEU  27          3HD2      LEU  27  11.861  -2.930   3.969
  179   HD22  LEU  27          1HD2      LEU  27  11.252  -1.972   5.341
  180   HD23  LEU  27          2HD2      LEU  27  10.206  -3.192   4.573
  181    HA   PRO  28           HA       PRO  28   3.996  -1.434   4.539
  182    HB2  PRO  28           1HB      PRO  28   3.514  -2.312   7.082
  183    HB3  PRO  28           2HB      PRO  28   3.359  -3.337   5.669
  184    HG2  PRO  28           1HG      PRO  28   5.502  -3.301   7.706
  185    HG3  PRO  28           2HG      PRO  28   5.102  -4.560   6.554
  186    HD2  PRO  28           1HD      PRO  28   7.283  -2.705   6.381
  187    HD3  PRO  28           2HD      PRO  28   6.815  -3.887   5.175
  188    H    VAL  29           H        VAL  29   5.617   0.639   4.493
  189    HA   VAL  29           HA       VAL  29   4.971   2.034   6.996
  190    HB   VAL  29           HB       VAL  29   7.370   1.721   6.473
  191   HG11  VAL  29          1HG1      VAL  29   7.611   3.748   4.428
  192   HG12  VAL  29          2HG1      VAL  29   8.219   2.075   4.440
  193   HG13  VAL  29          3HG1      VAL  29   6.574   2.419   3.855
  194   HG21  VAL  29          3HG2      VAL  29   7.395   3.532   7.797
  195   HG22  VAL  29          1HG2      VAL  29   7.651   4.468   6.305
  196   HG23  VAL  29          2HG2      VAL  29   6.008   4.272   6.963
  Start of MODEL    8
    1    H1   CYS   1           H        CYS   1   3.205   1.785   4.510
    2    HA   CYS   1           HA       CYS   1   2.809   4.432   3.357
    3    HB2  CYS   1           1HB      CYS   1   1.321   1.871   2.751
    4    HB3  CYS   1           2HB      CYS   1   1.200   3.390   1.885
    5    H    GLY   2           H        GLY   2   1.148   1.797   5.226
    6    HA2  GLY   2           1HA      GLY   2  -0.173   2.123   7.096
    7    HA3  GLY   2           2HA      GLY   2  -0.330   3.827   6.715
    8    H    GLU   3           H        GLU   3  -1.094   3.592   3.924
    9    HA   GLU   3           HA       GLU   3  -3.835   3.148   4.315
   10    HB2  GLU   3           1HB      GLU   3  -4.033   3.728   1.921
   11    HB3  GLU   3           2HB      GLU   3  -2.975   4.850   2.752
   12    HG2  GLU   3           1HG      GLU   3  -0.983   3.551   1.943
   13    HG3  GLU   3           2HG      GLU   3  -2.054   2.459   1.087
   14    H    THR   4           H        THR   4  -5.130   1.733   2.639
   15    HA   THR   4           HA       THR   4  -3.701  -0.782   2.141
   16    HB   THR   4           HB       THR   4  -5.980  -1.831   2.966
   17    HG1  THR   4           1HG      THR   4  -5.815   0.750   4.347
   18   HG21  THR   4          3HG2      THR   4  -3.862  -0.565   4.750
   19   HG22  THR   4          1HG2      THR   4  -5.259  -1.409   5.461
   20   HG23  THR   4          2HG2      THR   4  -4.129  -2.290   4.405
   21    H    CYS   5           H        CYS   5  -4.545  -2.071   0.424
   22    HA   CYS   5           HA       CYS   5  -6.239  -0.475  -1.358
   23    HB2  CYS   5           1HB      CYS   5  -5.137  -1.468  -3.229
   24    HB3  CYS   5           2HB      CYS   5  -3.934  -0.770  -2.162
   25    H    THR   6           H        THR   6  -7.550  -1.905   0.602
   26    HA   THR   6           HA       THR   6  -8.015  -4.572   0.292
   27    HB   THR   6           HB       THR   6  -9.593  -2.169   1.208
   28    HG1  THR   6           1HG      THR   6  -8.091  -3.301   2.596
   29   HG21  THR   6          3HG2      THR   6 -11.398  -3.798   1.976
   30   HG22  THR   6          1HG2      THR   6 -11.404  -3.504   0.220
   31   HG23  THR   6          2HG2      THR   6 -10.700  -5.004   0.869
   32    H    LEU   7           H        LEU   7  -8.850  -1.980  -1.929
   33    HA   LEU   7           HA       LEU   7 -10.681  -3.723  -3.359
   34    HB2  LEU   7           1HB      LEU   7  -9.885  -1.021  -4.332
   35    HB3  LEU   7           2HB      LEU   7 -11.418  -1.860  -4.469
   36    HG   LEU   7           HG       LEU   7 -10.305  -0.543  -1.977
   37   HD11  LEU   7          1HD1      LEU   7 -12.862   0.248  -3.322
   38   HD12  LEU   7          2HD1      LEU   7 -11.754   1.208  -2.312
   39   HD13  LEU   7          3HD1      LEU   7 -11.311   0.810  -3.989
   40   HD21  LEU   7          3HD2      LEU   7 -13.036  -1.804  -2.263
   41   HD22  LEU   7          1HD2      LEU   7 -11.634  -2.668  -1.587
   42   HD23  LEU   7          2HD2      LEU   7 -12.241  -1.195  -0.791
   43    H    GLY   8           H        GLY   8  -7.412  -2.488  -3.455
   44    HA2  GLY   8           1HA      GLY   8  -5.885  -4.018  -4.597
   45    HA3  GLY   8           2HA      GLY   8  -6.952  -3.954  -5.986
   46    H    THR   9           H        THR   9  -6.968  -0.900  -4.482
   47    HA   THR   9           HA       THR   9  -4.785   0.038  -6.225
   48    HB   THR   9           HB       THR   9  -7.525   1.290  -5.661
   49    HG1  THR   9           1HG      THR   9  -6.182   0.332  -8.084
   50   HG21  THR   9          3HG2      THR   9  -5.040   2.251  -7.115
   51   HG22  THR   9          1HG2      THR   9  -6.646   2.688  -7.746
   52   HG23  THR   9          2HG2      THR   9  -6.170   3.182  -6.104
   53    H    CYS  10           H        CYS  10  -3.759   2.075  -5.539
   54    HA   CYS  10           HA       CYS  10  -3.833   2.253  -2.614
   55    HB2  CYS  10           1HB      CYS  10  -1.524   2.522  -4.538
   56    HB3  CYS  10           2HB      CYS  10  -1.453   3.128  -2.895
   57    H    TYR  11           H        TYR  11  -3.295   4.509  -1.784
   58    HA   TYR  11           HA       TYR  11  -4.448   6.492  -3.614
   59    HB2  TYR  11           1HB      TYR  11  -4.012   6.385  -0.563
   60    HB3  TYR  11           2HB      TYR  11  -4.886   7.657  -1.393
   61    HD1  TYR  11           1HD      TYR  11  -6.026   5.232  -3.331
   62    HD2  TYR  11           2HD      TYR  11  -6.132   6.218   0.832
   63    HE1  TYR  11           1HE      TYR  11  -8.186   3.917  -3.067
   64    HE2  TYR  11           2HE      TYR  11  -8.292   4.900   1.081
   65    HH   TYR  11           HH       TYR  11  -9.810   3.734   0.092
   66    H    THR  12           H        THR  12  -1.582   5.588  -1.744
   67    HA   THR  12           HA       THR  12  -0.398   8.219  -2.289
   68    HB   THR  12           HB       THR  12   0.313   5.909  -0.410
   69    HG1  THR  12           1HG      THR  12  -0.556   8.707  -0.225
   70   HG21  THR  12          3HG2      THR  12   2.352   6.869  -0.009
   71   HG22  THR  12          1HG2      THR  12   2.117   7.800  -1.508
   72   HG23  THR  12          2HG2      THR  12   1.629   8.494   0.057
   73    H    GLN  13           H        GLN  13   0.787   8.483  -4.063
   74    HA   GLN  13           HA       GLN  13   1.412   6.353  -5.714
   75    HB2  GLN  13           1HB      GLN  13   2.129   9.266  -5.579
   76    HB3  GLN  13           2HB      GLN  13   3.111   8.253  -6.619
   77    HG2  GLN  13           1HG      GLN  13   0.890   7.368  -7.615
   78    HG3  GLN  13           2HG      GLN  13   0.096   8.675  -6.758
   79   HE21  GLN  13          1HE2      GLN  13   2.776   7.986  -8.980
   80   HE22  GLN  13          2HE2      GLN  13   2.676   9.441  -9.913
   81    H    GLY  14           H        GLY  14   3.524   5.445  -6.308
   82    HA2  GLY  14           1HA      GLY  14   5.736   4.941  -5.946
   83    HA3  GLY  14           2HA      GLY  14   5.749   5.935  -4.503
   84    H    CYS  15           H        CYS  15   3.023   4.463  -3.792
   85    HA   CYS  15           HA       CYS  15   4.391   2.293  -2.426
   86    HB2  CYS  15           1HB      CYS  15   1.960   3.923  -1.904
   87    HB3  CYS  15           2HB      CYS  15   1.926   2.256  -1.360
   88    H    THR  16           H        THR  16   3.945   0.132  -2.908
   89    HA   THR  16           HA       THR  16   2.236  -0.324  -5.221
   90    HB   THR  16           HB       THR  16   3.359  -2.708  -4.773
   91    HG1  THR  16           1HG      THR  16   5.265  -2.388  -3.458
   92   HG21  THR  16          3HG2      THR  16   5.214  -0.378  -5.455
   93   HG22  THR  16          1HG2      THR  16   5.330  -2.061  -6.024
   94   HG23  THR  16          2HG2      THR  16   4.018  -1.011  -6.612
   95    H    CYS  17           H        CYS  17   0.445  -1.679  -5.280
   96    HA   CYS  17           HA       CYS  17  -0.935  -1.814  -2.779
   97    HB2  CYS  17           1HB      CYS  17  -2.312  -1.211  -4.545
   98    HB3  CYS  17           2HB      CYS  17  -1.626  -2.397  -5.637
   99    H    SER  18           H        SER  18   0.340  -3.322  -1.528
  100    HA   SER  18           HA       SER  18   0.384  -6.018  -2.586
  101    HB2  SER  18           1HB      SER  18   2.458  -5.089  -1.546
  102    HB3  SER  18           2HB      SER  18   1.601  -4.874  -0.033
  103    HG   SER  18           HG       SER  18   2.905  -7.052  -0.828
  104    H    TRP  19           H        TRP  19  -2.069  -6.047  -2.428
  105    HA   TRP  19           HA       TRP  19  -3.639  -5.437  -0.396
  106    HB2  TRP  19           1HB      TRP  19  -4.199  -6.621  -2.577
  107    HB3  TRP  19           2HB      TRP  19  -3.874  -8.127  -1.740
  108    HD1  TRP  19           HD       TRP  19  -6.613  -5.600  -2.234
  109    HE1  TRP  19           1HE      TRP  19  -8.772  -6.151  -0.820
  110    HE3  TRP  19           3HE      TRP  19  -4.441  -9.164   0.672
  111    HZ2  TRP  19           2HZ      TRP  19  -9.317  -7.974   1.306
  112    HZ3  TRP  19           3HZ      TRP  19  -5.857 -10.280   2.393
  113    HH2  TRP  19           HH       TRP  19  -8.215  -9.737   2.734
  114    HA   PRO  20           HA       PRO  20  -5.019  -5.830   0.800
  115    HB2  PRO  20           1HB      PRO  20  -5.700  -5.313   3.394
  116    HB3  PRO  20           2HB      PRO  20  -6.392  -6.628   2.465
  117    HG2  PRO  20           1HG      PRO  20  -4.359  -6.743   4.608
  118    HG3  PRO  20           2HG      PRO  20  -5.360  -8.034   3.975
  119    HD2  PRO  20           1HD      PRO  20  -2.584  -7.580   3.412
  120    HD3  PRO  20           2HD      PRO  20  -3.614  -8.800   2.690
  121    H    ILE  21           H        ILE  21  -2.046  -5.445   2.308
  122    HA   ILE  21           HA       ILE  21  -2.583  -2.642   2.899
  123    HB   ILE  21           HB       ILE  21  -0.428  -4.579   3.714
  124   HG12  ILE  21          1HG1      ILE  21  -2.815  -4.377   4.796
  125   HG13  ILE  21          2HG1      ILE  21  -1.387  -4.579   5.792
  126   HG21  ILE  21          1HG2      ILE  21  -0.517  -1.592   4.214
  127   HG22  ILE  21          2HG2      ILE  21   0.582  -2.741   5.013
  128   HG23  ILE  21          3HG2      ILE  21   0.691  -2.480   3.256
  129   HD11  ILE  21          3HD1      ILE  21  -2.314  -1.787   5.074
  130   HD12  ILE  21          1HD1      ILE  21  -3.115  -2.683   6.386
  131   HD13  ILE  21          2HD1      ILE  21  -1.374  -2.328   6.486
  132    H    CYS  22           H        CYS  22  -1.011  -0.977   2.212
  133    HA   CYS  22           HA       CYS  22   0.194  -1.693  -0.347
  134    HB2  CYS  22           1HB      CYS  22  -0.636   0.936   0.868
  135    HB3  CYS  22           2HB      CYS  22   0.454   0.860  -0.503
  136    H    LYS  23           H        LYS  23   2.428  -1.805  -0.517
  137    HA   LYS  23           HA       LYS  23   3.936  -0.903   1.838
  138    HB2  LYS  23           1HB      LYS  23   4.116  -3.353   0.135
  139    HB3  LYS  23           2HB      LYS  23   5.608  -2.685   0.764
  140    HG2  LYS  23           1HG      LYS  23   5.011  -4.081   2.533
  141    HG3  LYS  23           2HG      LYS  23   4.264  -2.586   3.061
  142    HD2  LYS  23           1HD      LYS  23   2.091  -3.310   2.065
  143    HD3  LYS  23           2HD      LYS  23   2.834  -4.797   1.509
  144    HE2  LYS  23           1HE      LYS  23   3.395  -4.466   4.342
  145    HE3  LYS  23           2HE      LYS  23   1.674  -4.268   4.076
  146    HZ1  LYS  23           2HZ      LYS  23   2.940  -6.660   4.224
  147    HZ3  LYS  23           1HZ      LYS  23   2.796  -6.484   2.611
  148    H    ARG  24           H        ARG  24   6.257  -0.256   1.302
  149    HA   ARG  24           HA       ARG  24   6.307   0.970  -1.334
  150    HB2  ARG  24           1HB      ARG  24   5.839   2.536   0.742
  151    HB3  ARG  24           2HB      ARG  24   7.540   2.314   1.101
  152    HG2  ARG  24           1HG      ARG  24   7.975   3.014  -1.374
  153    HG3  ARG  24           2HG      ARG  24   6.308   3.557  -1.390
  154    HD2  ARG  24           1HD      ARG  24   7.905   4.478   0.963
  155    HD3  ARG  24           2HD      ARG  24   8.432   5.116  -0.583
  156    HE   ARG  24           HE       ARG  24   6.408   6.315  -0.781
  157   HH11  ARG  24          2HH2      ARG  24   6.229   4.063   1.918
  158   HH12  ARG  24          1HH2      ARG  24   4.766   4.739   2.551
  159   HH21  ARG  24          2HH1      ARG  24   4.476   7.207   0.054
  160   HH22  ARG  24          1HH1      ARG  24   3.761   6.539   1.483
  161    H    ASN  25           H        ASN  25   7.787  -0.512  -2.247
  162    HA   ASN  25           HA       ASN  25   9.776  -1.234  -2.769
  163    HB2  ASN  25           1HB      ASN  25  11.060   0.064  -0.331
  164    HB3  ASN  25           2HB      ASN  25  11.795  -0.271  -1.886
  165   HD21  ASN  25          1HD2      ASN  25   9.446   0.614  -3.390
  166   HD22  ASN  25          2HD2      ASN  25   9.434   2.345  -3.353
  167    H    GLY  26           H        GLY  26   7.875  -2.397  -0.677
  168    HA2  GLY  26           1HA      GLY  26   7.903  -4.476   0.301
  169    HA3  GLY  26           2HA      GLY  26   9.656  -4.480   0.295
  170    H    LEU  27           H        LEU  27   7.574  -1.813   1.528
  171    HA   LEU  27           HA       LEU  27   8.119  -2.629   4.258
  172    HB2  LEU  27           1HB      LEU  27   8.993   0.068   3.216
  173    HB3  LEU  27           2HB      LEU  27   9.094  -0.498   4.871
  174    HG   LEU  27           HG       LEU  27  10.561  -1.820   2.577
  175   HD11  LEU  27          1HD1      LEU  27  12.440  -0.485   4.138
  176   HD12  LEU  27          2HD1      LEU  27  11.896  -0.044   2.502
  177   HD13  LEU  27          3HD1      LEU  27  11.122   0.692   3.925
  178   HD21  LEU  27          3HD2      LEU  27  11.379  -1.970   5.454
  179   HD22  LEU  27          1HD2      LEU  27  10.040  -2.987   4.869
  180   HD23  LEU  27          2HD2      LEU  27  11.651  -3.121   4.124
  181    HA   PRO  28           HA       PRO  28   4.053  -1.080   4.343
  182    HB2  PRO  28           1HB      PRO  28   3.451  -1.784   6.914
  183    HB3  PRO  28           2HB      PRO  28   3.307  -2.887   5.559
  184    HG2  PRO  28           1HG      PRO  28   5.376  -2.801   7.668
  185    HG3  PRO  28           2HG      PRO  28   4.970  -4.114   6.581
  186    HD2  PRO  28           1HD      PRO  28   7.224  -2.351   6.378
  187    HD3  PRO  28           2HD      PRO  28   6.754  -3.588   5.229
  188    H    VAL  29           H        VAL  29   5.735   0.933   4.223
  189    HA   VAL  29           HA       VAL  29   5.209   2.467   6.662
  190    HB   VAL  29           HB       VAL  29   7.540   2.216   5.973
  191   HG11  VAL  29          1HG1      VAL  29   8.135   2.235   3.826
  192   HG12  VAL  29          2HG1      VAL  29   6.475   2.675   3.355
  193   HG13  VAL  29          3HG1      VAL  29   7.667   3.949   3.711
  194   HG21  VAL  29          3HG2      VAL  29   7.617   4.964   5.391
  195   HG22  VAL  29          1HG2      VAL  29   6.148   4.728   6.369
  196   HG23  VAL  29          2HG2      VAL  29   7.727   4.193   6.991
  Start of MODEL    9
    1    H1   CYS   1           H        CYS   1   3.029   1.601   4.652
    2    HA   CYS   1           HA       CYS   1   2.902   4.267   3.495
    3    HB2  CYS   1           1HB      CYS   1   1.312   1.787   2.804
    4    HB3  CYS   1           2HB      CYS   1   1.277   3.314   1.944
    5    H    GLY   2           H        GLY   2   1.014   1.830   5.393
    6    HA2  GLY   2           1HA      GLY   2  -0.408   2.318   7.144
    7    HA3  GLY   2           2HA      GLY   2  -0.471   3.999   6.654
    8    H    GLU   3           H        GLU   3  -1.098   3.659   3.855
    9    HA   GLU   3           HA       GLU   3  -3.871   3.318   4.111
   10    HB2  GLU   3           1HB      GLU   3  -3.867   3.702   1.624
   11    HB3  GLU   3           2HB      GLU   3  -2.995   4.927   2.525
   12    HG2  GLU   3           1HG      GLU   3  -0.946   4.307   1.664
   13    HG3  GLU   3           2HG      GLU   3  -1.336   2.598   1.678
   14    H    THR   4           H        THR   4  -5.142   1.860   2.486
   15    HA   THR   4           HA       THR   4  -3.783  -0.744   2.264
   16    HB   THR   4           HB       THR   4  -6.099  -1.688   2.871
   17    HG1  THR   4           1HG      THR   4  -7.469  -0.024   3.881
   18   HG21  THR   4          3HG2      THR   4  -4.330  -0.129   4.746
   19   HG22  THR   4          1HG2      THR   4  -5.939  -0.594   5.349
   20   HG23  THR   4          2HG2      THR   4  -4.796  -1.846   4.804
   21    H    CYS   5           H        CYS   5  -5.110  -2.252   0.746
   22    HA   CYS   5           HA       CYS   5  -6.289  -0.685  -1.403
   23    HB2  CYS   5           1HB      CYS   5  -4.922  -1.517  -3.094
   24    HB3  CYS   5           2HB      CYS   5  -3.817  -1.019  -1.828
   25    H    THR   6           H        THR   6  -7.638  -2.184   0.562
   26    HA   THR   6           HA       THR   6  -7.979  -4.868   0.170
   27    HB   THR   6           HB       THR   6  -9.674  -2.558   1.122
   28    HG1  THR   6           1HG      THR   6  -8.850  -5.205   2.092
   29   HG21  THR   6          3HG2      THR   6 -10.645  -5.424   0.657
   30   HG22  THR   6          1HG2      THR   6 -11.404  -4.311   1.820
   31   HG23  THR   6          2HG2      THR   6 -11.416  -3.926   0.083
   32    H    LEU   7           H        LEU   7  -8.963  -2.212  -1.942
   33    HA   LEU   7           HA       LEU   7 -10.639  -4.006  -3.488
   34    HB2  LEU   7           1HB      LEU   7 -10.023  -1.224  -4.345
   35    HB3  LEU   7           2HB      LEU   7 -11.502  -2.150  -4.497
   36    HG   LEU   7           HG       LEU   7 -10.443  -0.861  -1.966
   37   HD11  LEU   7          1HD1      LEU   7 -13.077  -0.027  -2.835
   38   HD12  LEU   7          2HD1      LEU   7 -11.629   0.945  -2.479
   39   HD13  LEU   7          3HD1      LEU   7 -11.861   0.256  -4.104
   40   HD21  LEU   7          3HD2      LEU   7 -11.689  -3.088  -1.711
   41   HD22  LEU   7          1HD2      LEU   7 -12.276  -1.693  -0.774
   42   HD23  LEU   7          2HD2      LEU   7 -13.132  -2.197  -2.251
   43    H    GLY   8           H        GLY   8  -7.433  -2.673  -3.398
   44    HA2  GLY   8           1HA      GLY   8  -5.772  -3.969  -4.581
   45    HA3  GLY   8           2HA      GLY   8  -6.841  -4.012  -5.969
   46    H    THR   9           H        THR   9  -6.762  -1.028  -4.105
   47    HA   THR   9           HA       THR   9  -4.891   0.146  -6.045
   48    HB   THR   9           HB       THR   9  -7.638   1.206  -5.192
   49    HG1  THR   9           1HG      THR   9  -7.504  -0.537  -6.837
   50   HG21  THR   9          3HG2      THR   9  -7.016   2.774  -7.241
   51   HG22  THR   9          1HG2      THR   9  -6.411   3.192  -5.621
   52   HG23  THR   9          2HG2      THR   9  -5.339   2.385  -6.789
   53    H    CYS  10           H        CYS  10  -3.897   2.175  -5.322
   54    HA   CYS  10           HA       CYS  10  -3.898   2.343  -2.398
   55    HB2  CYS  10           1HB      CYS  10  -1.550   2.266  -4.283
   56    HB3  CYS  10           2HB      CYS  10  -1.429   3.015  -2.703
   57    H    TYR  11           H        TYR  11  -3.638   4.519  -1.571
   58    HA   TYR  11           HA       TYR  11  -4.415   6.538  -3.512
   59    HB2  TYR  11           1HB      TYR  11  -4.259   6.155  -0.480
   60    HB3  TYR  11           2HB      TYR  11  -4.440   7.778  -1.113
   61    HD1  TYR  11           1HD      TYR  11  -5.991   4.804  -2.688
   62    HD2  TYR  11           2HD      TYR  11  -6.606   8.203  -0.164
   63    HE1  TYR  11           1HE      TYR  11  -8.508   4.469  -2.837
   64    HE2  TYR  11           2HE      TYR  11  -9.119   7.857  -0.321
   65    HH   TYR  11           HH       TYR  11 -10.452   5.023  -1.921
   66    H    THR  12           H        THR  12  -1.768   5.751  -1.198
   67    HA   THR  12           HA       THR  12  -0.375   8.201  -1.851
   68    HB   THR  12           HB       THR  12   0.341   5.761  -0.138
   69    HG1  THR  12           1HG      THR  12  -0.886   6.903   1.318
   70   HG21  THR  12          3HG2      THR  12   2.353   6.776   0.229
   71   HG22  THR  12          1HG2      THR  12   1.943   8.016  -0.980
   72   HG23  THR  12          2HG2      THR  12   1.505   8.258   0.729
   73    H    GLN  13           H        GLN  13   0.610   8.437  -3.756
   74    HA   GLN  13           HA       GLN  13   1.226   6.309  -5.398
   75    HB2  GLN  13           1HB      GLN  13   0.934   8.782  -6.007
   76    HB3  GLN  13           2HB      GLN  13   2.574   9.040  -5.446
   77    HG2  GLN  13           1HG      GLN  13   3.524   7.908  -7.235
   78    HG3  GLN  13           2HG      GLN  13   2.197   6.770  -7.365
   79   HE21  GLN  13          1HE2      GLN  13   3.596   9.652  -8.492
   80   HE22  GLN  13          2HE2      GLN  13   2.377  10.146  -9.619
   81    H    GLY  14           H        GLY  14   3.359   5.484  -6.102
   82    HA2  GLY  14           1HA      GLY  14   5.592   5.032  -5.813
   83    HA3  GLY  14           2HA      GLY  14   5.619   5.992  -4.347
   84    H    CYS  15           H        CYS  15   2.950   4.423  -3.610
   85    HA   CYS  15           HA       CYS  15   4.415   2.248  -2.348
   86    HB2  CYS  15           1HB      CYS  15   1.988   3.826  -1.673
   87    HB3  CYS  15           2HB      CYS  15   2.000   2.145  -1.179
   88    H    THR  16           H        THR  16   3.951   0.088  -2.837
   89    HA   THR  16           HA       THR  16   2.177  -0.330  -5.109
   90    HB   THR  16           HB       THR  16   3.321  -2.719  -4.738
   91    HG1  THR  16           1HG      THR  16   4.416  -2.403  -2.801
   92   HG21  THR  16          3HG2      THR  16   3.914  -0.906  -6.535
   93   HG22  THR  16          1HG2      THR  16   5.208  -0.422  -5.411
   94   HG23  THR  16          2HG2      THR  16   5.188  -2.066  -6.092
   95    H    CYS  17           H        CYS  17   0.400  -1.715  -5.142
   96    HA   CYS  17           HA       CYS  17  -0.936  -1.868  -2.628
   97    HB2  CYS  17           1HB      CYS  17  -2.372  -1.335  -4.351
   98    HB3  CYS  17           2HB      CYS  17  -1.639  -2.466  -5.472
   99    H    SER  18           H        SER  18   0.384  -3.327  -1.366
  100    HA   SER  18           HA       SER  18   0.531  -6.028  -2.386
  101    HB2  SER  18           1HB      SER  18   1.481  -5.290   0.372
  102    HB3  SER  18           2HB      SER  18   2.167  -6.430  -0.768
  103    HG   SER  18           HG       SER  18   3.509  -4.884  -1.363
  104    H    TRP  19           H        TRP  19  -1.930  -6.135  -2.323
  105    HA   TRP  19           HA       TRP  19  -3.593  -5.574  -0.353
  106    HB2  TRP  19           1HB      TRP  19  -4.043  -6.767  -2.548
  107    HB3  TRP  19           2HB      TRP  19  -3.688  -8.266  -1.712
  108    HD1  TRP  19           HD       TRP  19  -6.498  -5.822  -2.255
  109    HE1  TRP  19           1HE      TRP  19  -8.680  -6.474  -0.922
  110    HE3  TRP  19           3HE      TRP  19  -4.298  -9.372   0.646
  111    HZ2  TRP  19           2HZ      TRP  19  -9.229  -8.360   1.149
  112    HZ3  TRP  19           3HZ      TRP  19  -5.727 -10.572   2.297
  113    HH2  TRP  19           HH       TRP  19  -8.113 -10.115   2.574
  114    HA   PRO  20           HA       PRO  20  -4.997  -6.000   0.796
  115    HB2  PRO  20           1HB      PRO  20  -5.778  -5.496   3.367
  116    HB3  PRO  20           2HB      PRO  20  -6.404  -6.830   2.419
  117    HG2  PRO  20           1HG      PRO  20  -4.441  -6.886   4.629
  118    HG3  PRO  20           2HG      PRO  20  -5.386  -8.205   3.966
  119    HD2  PRO  20           1HD      PRO  20  -2.606  -7.679   3.494
  120    HD3  PRO  20           2HD      PRO  20  -3.579  -8.928   2.743
  121    H    ILE  21           H        ILE  21  -2.093  -5.533   2.423
  122    HA   ILE  21           HA       ILE  21  -2.723  -2.742   2.974
  123    HB   ILE  21           HB       ILE  21  -0.440  -4.528   3.816
  124   HG12  ILE  21          1HG1      ILE  21  -2.710  -4.959   4.816
  125   HG13  ILE  21          2HG1      ILE  21  -1.439  -4.579   5.961
  126   HG21  ILE  21          1HG2      ILE  21   0.223  -2.666   5.299
  127   HG22  ILE  21          2HG2      ILE  21   0.391  -2.268   3.573
  128   HG23  ILE  21          3HG2      ILE  21  -0.983  -1.627   4.505
  129   HD11  ILE  21          3HD1      ILE  21  -2.470  -2.666   6.646
  130   HD12  ILE  21          1HD1      ILE  21  -2.840  -2.168   4.978
  131   HD13  ILE  21          2HD1      ILE  21  -3.910  -3.312   5.824
  132    H    CYS  22           H        CYS  22  -1.026  -1.076   2.419
  133    HA   CYS  22           HA       CYS  22   0.139  -1.716  -0.175
  134    HB2  CYS  22           1HB      CYS  22  -0.396   0.922   1.201
  135    HB3  CYS  22           2HB      CYS  22   0.504   0.773  -0.296
  136    H    LYS  23           H        LYS  23   2.423  -1.433  -0.524
  137    HA   LYS  23           HA       LYS  23   3.978  -0.907   1.904
  138    HB2  LYS  23           1HB      LYS  23   4.071  -3.302   0.101
  139    HB3  LYS  23           2HB      LYS  23   5.562  -2.726   0.819
  140    HG2  LYS  23           1HG      LYS  23   4.703  -4.310   2.387
  141    HG3  LYS  23           2HG      LYS  23   4.339  -2.745   3.088
  142    HD2  LYS  23           1HD      LYS  23   2.071  -3.022   2.862
  143    HD3  LYS  23           2HD      LYS  23   2.215  -3.747   1.273
  144    HE2  LYS  23           1HE      LYS  23   1.339  -5.399   2.890
  145    HE3  LYS  23           2HE      LYS  23   2.907  -5.907   2.295
  146    HZ1  LYS  23           2HZ      LYS  23   3.924  -5.289   4.314
  147    HZ3  LYS  23           1HZ      LYS  23   2.530  -5.969   4.811
  148    H    ARG  24           H        ARG  24   6.146  -0.060   1.488
  149    HA   ARG  24           HA       ARG  24   6.241   1.175  -1.148
  150    HB2  ARG  24           1HB      ARG  24   5.973   2.590   1.099
  151    HB3  ARG  24           2HB      ARG  24   7.696   2.312   1.260
  152    HG2  ARG  24           1HG      ARG  24   7.843   3.157  -1.227
  153    HG3  ARG  24           2HG      ARG  24   6.229   3.786  -0.956
  154    HD2  ARG  24           1HD      ARG  24   6.964   5.274   0.768
  155    HD3  ARG  24           2HD      ARG  24   8.463   4.401   1.013
  156    HE   ARG  24           HE       ARG  24   9.418   5.544  -0.805
  157   HH11  ARG  24          2HH2      ARG  24   5.931   6.015  -0.813
  158   HH12  ARG  24          1HH2      ARG  24   5.969   7.227  -2.050
  159   HH21  ARG  24          2HH1      ARG  24   9.469   7.143  -2.436
  160   HH22  ARG  24          1HH1      ARG  24   7.995   7.874  -2.979
  161    H    ASN  25           H        ASN  25   7.677  -0.125  -2.303
  162    HA   ASN  25           HA       ASN  25   9.549  -1.027  -2.921
  163    HB2  ASN  25           1HB      ASN  25  10.532   0.872  -0.799
  164    HB3  ASN  25           2HB      ASN  25  11.658  -0.372  -1.305
  165   HD21  ASN  25          1HD2      ASN  25   9.380   2.026  -2.607
  166   HD22  ASN  25          2HD2      ASN  25  10.315   2.497  -3.988
  167    H    GLY  26           H        GLY  26   7.766  -2.158  -0.702
  168    HA2  GLY  26           1HA      GLY  26   7.819  -4.287   0.195
  169    HA3  GLY  26           2HA      GLY  26   9.570  -4.293   0.132
  170    H    LEU  27           H        LEU  27   7.318  -1.822   1.539
  171    HA   LEU  27           HA       LEU  27   8.093  -2.620   4.206
  172    HB2  LEU  27           1HB      LEU  27   8.723   0.160   3.208
  173    HB3  LEU  27           2HB      LEU  27   8.965  -0.457   4.831
  174    HG   LEU  27           HG       LEU  27  10.371  -1.608   2.411
  175   HD11  LEU  27          1HD1      LEU  27  11.344   0.434   2.302
  176   HD12  LEU  27          2HD1      LEU  27  10.964   0.836   3.994
  177   HD13  LEU  27          3HD1      LEU  27  12.334  -0.238   3.620
  178   HD21  LEU  27          3HD2      LEU  27  10.152  -2.970   4.541
  179   HD22  LEU  27          1HD2      LEU  27  11.804  -2.700   3.935
  180   HD23  LEU  27          2HD2      LEU  27  11.195  -1.752   5.314
  181    HA   PRO  28           HA       PRO  28   3.926  -1.359   4.456
  182    HB2  PRO  28           1HB      PRO  28   3.428  -2.306   6.970
  183    HB3  PRO  28           2HB      PRO  28   3.310  -3.300   5.531
  184    HG2  PRO  28           1HG      PRO  28   5.424  -3.272   7.596
  185    HG3  PRO  28           2HG      PRO  28   5.065  -4.511   6.411
  186    HD2  PRO  28           1HD      PRO  28   7.212  -2.611   6.311
  187    HD3  PRO  28           2HD      PRO  28   6.782  -3.773   5.071
  188    H    VAL  29           H        VAL  29   5.522   0.742   4.487
  189    HA   VAL  29           HA       VAL  29   4.781   2.071   7.002
  190    HB   VAL  29           HB       VAL  29   7.207   1.773   6.543
  191   HG11  VAL  29          1HG1      VAL  29   6.478   2.625   3.938
  192   HG12  VAL  29          2HG1      VAL  29   7.528   3.891   4.620
  193   HG13  VAL  29          3HG1      VAL  29   8.098   2.206   4.545
  194   HG21  VAL  29          3HG2      VAL  29   7.466   4.529   6.515
  195   HG22  VAL  29          1HG2      VAL  29   5.808   4.284   7.116
  196   HG23  VAL  29          2HG2      VAL  29   7.179   3.518   7.952
  Start of MODEL   10
    1    H1   CYS   1           H        CYS   1   3.085   1.769   4.481
    2    HA   CYS   1           HA       CYS   1   2.878   4.409   3.268
    3    HB2  CYS   1           1HB      CYS   1   1.306   1.900   2.652
    4    HB3  CYS   1           2HB      CYS   1   1.259   3.408   1.761
    5    H    GLY   2           H        GLY   2   1.038   1.927   5.171
    6    HA2  GLY   2           1HA      GLY   2  -0.338   2.397   6.971
    7    HA3  GLY   2           2HA      GLY   2  -0.431   4.080   6.490
    8    H    GLU   3           H        GLU   3  -1.111   3.744   3.704
    9    HA   GLU   3           HA       GLU   3  -3.873   3.363   4.015
   10    HB2  GLU   3           1HB      GLU   3  -3.953   3.809   1.560
   11    HB3  GLU   3           2HB      GLU   3  -2.995   4.995   2.423
   12    HG2  GLU   3           1HG      GLU   3  -0.905   3.828   1.779
   13    HG3  GLU   3           2HG      GLU   3  -1.826   2.561   0.995
   14    H    THR   4           H        THR   4  -5.181   1.879   2.487
   15    HA   THR   4           HA       THR   4  -3.766  -0.663   2.062
   16    HB   THR   4           HB       THR   4  -6.053  -1.661   2.906
   17    HG1  THR   4           1HG      THR   4  -7.153  -0.106   4.265
   18   HG21  THR   4          3HG2      THR   4  -4.636  -0.183   5.134
   19   HG22  THR   4          1HG2      THR   4  -5.218  -1.864   5.097
   20   HG23  THR   4          2HG2      THR   4  -3.729  -1.418   4.229
   21    H    CYS   5           H        CYS   5  -4.599  -2.002   0.383
   22    HA   CYS   5           HA       CYS   5  -6.269  -0.464  -1.471
   23    HB2  CYS   5           1HB      CYS   5  -5.133  -1.453  -3.297
   24    HB3  CYS   5           2HB      CYS   5  -3.923  -0.811  -2.204
   25    H    THR   6           H        THR   6  -7.555  -1.868   0.553
   26    HA   THR   6           HA       THR   6  -8.019  -4.542   0.275
   27    HB   THR   6           HB       THR   6  -9.587  -2.133   1.200
   28    HG1  THR   6           1HG      THR   6  -8.810  -4.773   2.228
   29   HG21  THR   6          3HG2      THR   6 -11.414  -3.478   0.267
   30   HG22  THR   6          1HG2      THR   6 -10.688  -4.975   0.899
   31   HG23  THR   6          2HG2      THR   6 -11.364  -3.771   2.022
   32    H    LEU   7           H        LEU   7  -8.883  -1.972  -1.957
   33    HA   LEU   7           HA       LEU   7 -10.728  -3.743  -3.344
   34    HB2  LEU   7           1HB      LEU   7 -10.009  -1.026  -4.335
   35    HB3  LEU   7           2HB      LEU   7 -11.529  -1.893  -4.427
   36    HG   LEU   7           HG       LEU   7 -10.373  -0.552  -1.969
   37   HD11  LEU   7          1HD1      LEU   7 -12.676   0.707  -2.310
   38   HD12  LEU   7          2HD1      LEU   7 -11.196   1.215  -3.159
   39   HD13  LEU   7          3HD1      LEU   7 -12.413   0.231  -4.006
   40   HD21  LEU   7          3HD2      LEU   7 -13.096  -1.841  -2.174
   41   HD22  LEU   7          1HD2      LEU   7 -11.667  -2.702  -1.556
   42   HD23  LEU   7          2HD2      LEU   7 -12.253  -1.240  -0.726
   43    H    GLY   8           H        GLY   8  -7.479  -2.476  -3.472
   44    HA2  GLY   8           1HA      GLY   8  -5.953  -3.989  -4.653
   45    HA3  GLY   8           2HA      GLY   8  -7.037  -3.905  -6.027
   46    H    THR   9           H        THR   9  -7.086  -0.879  -4.489
   47    HA   THR   9           HA       THR   9  -4.934   0.113  -6.242
   48    HB   THR   9           HB       THR   9  -7.558   1.513  -5.518
   49    HG1  THR   9           1HG      THR   9  -8.306   0.520  -7.410
   50   HG21  THR   9          3HG2      THR   9  -6.809   2.484  -7.935
   51   HG22  THR   9          1HG2      THR   9  -6.248   3.229  -6.420
   52   HG23  THR   9          2HG2      THR   9  -5.192   2.095  -7.296
   53    H    CYS  10           H        CYS  10  -3.745   1.963  -5.513
   54    HA   CYS  10           HA       CYS  10  -3.798   2.128  -2.591
   55    HB2  CYS  10           1HB      CYS  10  -1.559   2.340  -4.589
   56    HB3  CYS  10           2HB      CYS  10  -1.410   3.050  -2.993
   57    H    TYR  11           H        TYR  11  -3.653   4.266  -1.630
   58    HA   TYR  11           HA       TYR  11  -4.522   6.369  -3.478
   59    HB2  TYR  11           1HB      TYR  11  -4.601   5.961  -0.424
   60    HB3  TYR  11           2HB      TYR  11  -5.255   7.377  -1.222
   61    HD1  TYR  11           1HD      TYR  11  -6.421   5.796  -3.645
   62    HD2  TYR  11           2HD      TYR  11  -6.663   5.255   0.592
   63    HE1  TYR  11           1HE      TYR  11  -8.651   4.606  -3.917
   64    HE2  TYR  11           2HE      TYR  11  -8.893   4.067   0.306
   65    HH   TYR  11           HH       TYR  11 -10.775   4.196  -1.544
   66    H    THR  12           H        THR  12  -1.648   5.361  -2.867
   67    HA   THR  12           HA       THR  12  -0.561   8.029  -2.511
   68    HB   THR  12           HB       THR  12   0.142   5.665  -0.690
   69    HG1  THR  12           1HG      THR  12  -0.974   7.003   0.821
   70   HG21  THR  12          3HG2      THR  12   1.040   8.334   0.119
   71   HG22  THR  12          1HG2      THR  12   1.993   6.838  -0.036
   72   HG23  THR  12          2HG2      THR  12   1.748   7.888  -1.452
   73    H    GLN  13           H        GLN  13   0.585   8.296  -4.319
   74    HA   GLN  13           HA       GLN  13   1.466   6.177  -5.855
   75    HB2  GLN  13           1HB      GLN  13   2.113   9.133  -5.763
   76    HB3  GLN  13           2HB      GLN  13   2.997   8.085  -6.855
   77    HG2  GLN  13           1HG      GLN  13   1.266   8.090  -8.315
   78    HG3  GLN  13           2HG      GLN  13   0.199   7.428  -7.092
   79   HE21  GLN  13          1HE2      GLN  13  -1.322   8.650  -6.195
   80   HE22  GLN  13          2HE2      GLN  13  -1.559  10.345  -6.464
   81    H    GLY  14           H        GLY  14   3.646   5.378  -6.290
   82    HA2  GLY  14           1HA      GLY  14   5.891   5.110  -5.811
   83    HA3  GLY  14           2HA      GLY  14   5.722   6.088  -4.366
   84    H    CYS  15           H        CYS  15   3.082   4.350  -3.891
   85    HA   CYS  15           HA       CYS  15   4.552   2.262  -2.483
   86    HB2  CYS  15           1HB      CYS  15   2.013   3.734  -1.975
   87    HB3  CYS  15           2HB      CYS  15   2.102   2.068  -1.436
   88    H    THR  16           H        THR  16   3.714   0.032  -2.590
   89    HA   THR  16           HA       THR  16   2.277  -0.449  -5.111
   90    HB   THR  16           HB       THR  16   3.389  -2.829  -4.559
   91    HG1  THR  16           1HG      THR  16   5.211  -0.903  -3.353
   92   HG21  THR  16          3HG2      THR  16   5.453  -2.160  -5.718
   93   HG22  THR  16          1HG2      THR  16   4.087  -1.306  -6.473
   94   HG23  THR  16          2HG2      THR  16   5.152  -0.448  -5.333
   95    H    CYS  17           H        CYS  17   0.491  -1.812  -5.213
   96    HA   CYS  17           HA       CYS  17  -0.984  -1.901  -2.769
   97    HB2  CYS  17           1HB      CYS  17  -2.259  -1.344  -4.642
   98    HB3  CYS  17           2HB      CYS  17  -1.562  -2.613  -5.629
   99    H    SER  18           H        SER  18   0.371  -3.353  -1.478
  100    HA   SER  18           HA       SER  18   0.442  -6.079  -2.435
  101    HB2  SER  18           1HB      SER  18   2.489  -5.266  -1.404
  102    HB3  SER  18           2HB      SER  18   1.625  -4.707   0.014
  103    HG   SER  18           HG       SER  18   2.308  -7.372  -0.760
  104    H    TRP  19           H        TRP  19  -2.043  -6.050  -2.354
  105    HA   TRP  19           HA       TRP  19  -3.649  -5.431  -0.353
  106    HB2  TRP  19           1HB      TRP  19  -4.188  -6.584  -2.546
  107    HB3  TRP  19           2HB      TRP  19  -3.882  -8.104  -1.730
  108    HD1  TRP  19           HD       TRP  19  -6.615  -5.590  -2.250
  109    HE1  TRP  19           1HE      TRP  19  -8.792  -6.144  -0.866
  110    HE3  TRP  19           3HE      TRP  19  -4.472  -9.137   0.697
  111    HZ2  TRP  19           2HZ      TRP  19  -9.361  -7.963   1.258
  112    HZ3  TRP  19           3HZ      TRP  19  -5.909 -10.253   2.401
  113    HH2  TRP  19           HH       TRP  19  -8.274  -9.718   2.706
  114    HA   PRO  20           HA       PRO  20  -5.048  -5.797   0.818
  115    HB2  PRO  20           1HB      PRO  20  -5.762  -5.275   3.404
  116    HB3  PRO  20           2HB      PRO  20  -6.466  -6.572   2.459
  117    HG2  PRO  20           1HG      PRO  20  -4.471  -6.735   4.635
  118    HG3  PRO  20           2HG      PRO  20  -5.487  -8.004   3.979
  119    HD2  PRO  20           1HD      PRO  20  -2.694  -7.605   3.464
  120    HD3  PRO  20           2HD      PRO  20  -3.736  -8.801   2.721
  121    H    ILE  21           H        ILE  21  -2.091  -5.478   2.365
  122    HA   ILE  21           HA       ILE  21  -2.574  -2.677   2.989
  123    HB   ILE  21           HB       ILE  21  -0.183  -4.406   3.623
  124   HG12  ILE  21          1HG1      ILE  21  -2.239  -5.368   4.578
  125   HG13  ILE  21          2HG1      ILE  21  -1.142  -4.775   5.810
  126   HG21  ILE  21          1HG2      ILE  21  -0.898  -1.593   4.119
  127   HG22  ILE  21          2HG2      ILE  21  -0.340  -2.485   5.554
  128   HG23  ILE  21          3HG2      ILE  21   0.689  -2.398   4.104
  129   HD11  ILE  21          3HD1      ILE  21  -3.418  -4.074   6.369
  130   HD12  ILE  21          1HD1      ILE  21  -2.474  -2.634   5.917
  131   HD13  ILE  21          2HD1      ILE  21  -3.625  -3.342   4.759
  132    H    CYS  22           H        CYS  22  -1.054  -1.003   2.275
  133    HA   CYS  22           HA       CYS  22   0.146  -1.697  -0.291
  134    HB2  CYS  22           1HB      CYS  22  -0.708   0.911   0.948
  135    HB3  CYS  22           2HB      CYS  22   0.398   0.868  -0.410
  136    H    LYS  23           H        LYS  23   2.390  -1.693  -0.525
  137    HA   LYS  23           HA       LYS  23   3.900  -0.940   1.878
  138    HB2  LYS  23           1HB      LYS  23   4.126  -3.198  -0.058
  139    HB3  LYS  23           2HB      LYS  23   5.622  -2.522   0.555
  140    HG2  LYS  23           1HG      LYS  23   5.152  -4.133   2.191
  141    HG3  LYS  23           2HG      LYS  23   4.453  -2.699   2.918
  142    HD2  LYS  23           1HD      LYS  23   2.226  -3.378   1.788
  143    HD3  LYS  23           2HD      LYS  23   2.987  -4.913   1.421
  144    HE2  LYS  23           1HE      LYS  23   2.085  -3.823   4.058
  145    HE3  LYS  23           2HE      LYS  23   2.065  -5.474   3.471
  146    HZ1  LYS  23           2HZ      LYS  23   4.559  -5.430   3.744
  147    HZ3  LYS  23           1HZ      LYS  23   3.737  -5.342   5.146
  148    H    ARG  24           H        ARG  24   6.319  -0.375   1.201
  149    HA   ARG  24           HA       ARG  24   6.191   1.254  -1.196
  150    HB2  ARG  24           1HB      ARG  24   5.795   2.634   0.930
  151    HB3  ARG  24           2HB      ARG  24   7.415   2.203   1.442
  152    HG2  ARG  24           1HG      ARG  24   8.371   3.257  -0.592
  153    HG3  ARG  24           2HG      ARG  24   6.762   3.626  -1.183
  154    HD2  ARG  24           1HD      ARG  24   6.349   5.182   0.639
  155    HD3  ARG  24           2HD      ARG  24   7.772   4.646   1.510
  156    HE   ARG  24           HE       ARG  24   7.703   6.527  -0.728
  157   HH11  ARG  24          2HH2      ARG  24   9.715   4.233   1.023
  158   HH12  ARG  24          1HH2      ARG  24  11.205   4.972   0.537
  159   HH21  ARG  24          2HH1      ARG  24   9.667   7.504  -1.370
  160   HH22  ARG  24          1HH1      ARG  24  11.177   6.845  -0.834
  161    H    ASN  25           H        ASN  25   7.479  -0.537  -2.127
  162    HA   ASN  25           HA       ASN  25   9.438  -1.146  -2.914
  163    HB2  ASN  25           1HB      ASN  25  10.967   0.094  -0.593
  164    HB3  ASN  25           2HB      ASN  25  11.523  -0.179  -2.233
  165   HD21  ASN  25          1HD2      ASN  25  10.909   2.172  -0.222
  166   HD22  ASN  25          2HD2      ASN  25  10.236   3.403  -1.237
  167    H    GLY  26           H        GLY  26   7.751  -2.285  -0.588
  168    HA2  GLY  26           1HA      GLY  26   7.921  -4.452   0.252
  169    HA3  GLY  26           2HA      GLY  26   9.670  -4.346   0.221
  170    H    LEU  27           H        LEU  27   7.473  -1.811   1.516
  171    HA   LEU  27           HA       LEU  27   8.049  -2.643   4.228
  172    HB2  LEU  27           1HB      LEU  27   8.870   0.093   3.248
  173    HB3  LEU  27           2HB      LEU  27   9.005  -0.525   4.882
  174    HG   LEU  27           HG       LEU  27  10.462  -1.754   2.531
  175   HD11  LEU  27          1HD1      LEU  27  10.930   0.791   3.666
  176   HD12  LEU  27          2HD1      LEU  27  12.204  -0.287   4.281
  177   HD13  LEU  27          3HD1      LEU  27  11.955  -0.116   2.527
  178   HD21  LEU  27          3HD2      LEU  27  11.739  -2.055   5.094
  179   HD22  LEU  27          1HD2      LEU  27  10.055  -2.625   5.181
  180   HD23  LEU  27          2HD2      LEU  27  11.161  -3.300   3.960
  181    HA   PRO  28           HA       PRO  28   3.956  -1.160   4.312
  182    HB2  PRO  28           1HB      PRO  28   3.341  -1.953   6.854
  183    HB3  PRO  28           2HB      PRO  28   3.223  -3.014   5.465
  184    HG2  PRO  28           1HG      PRO  28   5.273  -2.971   7.594
  185    HG3  PRO  28           2HG      PRO  28   4.894  -4.253   6.460
  186    HD2  PRO  28           1HD      PRO  28   7.126  -2.455   6.335
  187    HD3  PRO  28           2HD      PRO  28   6.682  -3.660   5.143
  188    H    VAL  29           H        VAL  29   5.607   0.879   4.270
  189    HA   VAL  29           HA       VAL  29   4.956   2.343   6.729
  190    HB   VAL  29           HB       VAL  29   7.340   2.048   6.216
  191   HG11  VAL  29          1HG1      VAL  29   7.554   3.927   4.026
  192   HG12  VAL  29          2HG1      VAL  29   8.190   2.270   4.164
  193   HG13  VAL  29          3HG1      VAL  29   6.538   2.541   3.559
  194   HG21  VAL  29          3HG2      VAL  29   7.583   4.791   5.833
  195   HG22  VAL  29          1HG2      VAL  29   5.969   4.606   6.561
  196   HG23  VAL  29          2HG2      VAL  29   7.400   3.953   7.393
  Start of MODEL   11
    1    H1   CYS   1           H        CYS   1   3.168   1.529   4.655
    2    HA   CYS   1           HA       CYS   1   2.936   4.168   3.443
    3    HB2  CYS   1           1HB      CYS   1   1.400   1.633   2.836
    4    HB3  CYS   1           2HB      CYS   1   1.274   3.151   1.971
    5    H    GLY   2           H        GLY   2   1.160   1.675   5.384
    6    HA2  GLY   2           1HA      GLY   2  -0.227   2.086   7.170
    7    HA3  GLY   2           2HA      GLY   2  -0.279   3.790   6.766
    8    H    GLU   3           H        GLU   3  -0.931   3.439   3.908
    9    HA   GLU   3           HA       GLU   3  -3.715   3.253   4.217
   10    HB2  GLU   3           1HB      GLU   3  -2.690   4.773   2.584
   11    HB3  GLU   3           2HB      GLU   3  -1.959   3.428   1.730
   12    HG2  GLU   3           1HG      GLU   3  -4.132   2.572   1.040
   13    HG3  GLU   3           2HG      GLU   3  -4.975   3.679   2.106
   14    H    THR   4           H        THR   4  -5.094   1.824   2.668
   15    HA   THR   4           HA       THR   4  -3.860  -0.831   2.399
   16    HB   THR   4           HB       THR   4  -6.247  -1.625   3.151
   17    HG1  THR   4           1HG      THR   4  -6.979   0.704   2.975
   18   HG21  THR   4          3HG2      THR   4  -5.708  -1.391   5.561
   19   HG22  THR   4          1HG2      THR   4  -4.233  -1.813   4.660
   20   HG23  THR   4          2HG2      THR   4  -4.505  -0.135   5.186
   21    H    CYS   5           H        CYS   5  -4.751  -2.188   0.745
   22    HA   CYS   5           HA       CYS   5  -6.286  -0.641  -1.215
   23    HB2  CYS   5           1HB      CYS   5  -5.015  -1.451  -2.990
   24    HB3  CYS   5           2HB      CYS   5  -3.840  -0.976  -1.779
   25    H    THR   6           H        THR   6  -7.524  -2.167   0.805
   26    HA   THR   6           HA       THR   6  -7.894  -4.840   0.418
   27    HB   THR   6           HB       THR   6  -9.544  -2.528   1.438
   28    HG1  THR   6           1HG      THR   6  -8.679  -5.180   2.358
   29   HG21  THR   6          3HG2      THR   6 -11.331  -3.885   0.457
   30   HG22  THR   6          1HG2      THR   6 -10.548  -5.387   1.003
   31   HG23  THR   6          2HG2      THR   6 -11.258  -4.271   2.194
   32    H    LEU   7           H        LEU   7  -8.900  -2.202  -1.686
   33    HA   LEU   7           HA       LEU   7 -10.673  -3.977  -3.147
   34    HB2  LEU   7           1HB      LEU   7 -10.020  -1.209  -4.038
   35    HB3  LEU   7           2HB      LEU   7 -11.517  -2.110  -4.171
   36    HG   LEU   7           HG       LEU   7 -10.404  -0.828  -1.661
   37   HD11  LEU   7          1HD1      LEU   7 -12.733  -0.124  -3.461
   38   HD12  LEU   7          2HD1      LEU   7 -12.484   0.564  -1.838
   39   HD13  LEU   7          3HD1      LEU   7 -11.280   0.845  -3.119
   40   HD21  LEU   7          3HD2      LEU   7 -11.633  -3.033  -1.331
   41   HD22  LEU   7          1HD2      LEU   7 -12.257  -1.622  -0.444
   42   HD23  LEU   7          2HD2      LEU   7 -13.089  -2.189  -1.913
   43    H    GLY   8           H        GLY   8  -7.459  -2.605  -3.245
   44    HA2  GLY   8           1HA      GLY   8  -5.844  -3.933  -4.444
   45    HA3  GLY   8           2HA      GLY   8  -6.971  -4.042  -5.782
   46    H    THR   9           H        THR   9  -6.726  -0.994  -4.000
   47    HA   THR   9           HA       THR   9  -4.938   0.098  -6.049
   48    HB   THR   9           HB       THR   9  -7.625   1.328  -5.243
   49    HG1  THR   9           1HG      THR   9  -8.360   0.226  -7.065
   50   HG21  THR   9          3HG2      THR   9  -5.480   2.619  -6.362
   51   HG22  THR   9          1HG2      THR   9  -6.219   1.925  -7.825
   52   HG23  THR   9          2HG2      THR   9  -7.166   3.009  -6.778
   53    H    CYS  10           H        CYS  10  -3.853   2.060  -5.433
   54    HA   CYS  10           HA       CYS  10  -3.996   2.540  -2.548
   55    HB2  CYS  10           1HB      CYS  10  -1.527   2.166  -4.244
   56    HB3  CYS  10           2HB      CYS  10  -1.493   2.956  -2.680
   57    H    TYR  11           H        TYR  11  -3.802   4.761  -1.964
   58    HA   TYR  11           HA       TYR  11  -4.190   6.592  -4.181
   59    HB2  TYR  11           1HB      TYR  11  -4.402   6.540  -1.128
   60    HB3  TYR  11           2HB      TYR  11  -4.405   8.091  -1.944
   61    HD1  TYR  11           1HD      TYR  11  -5.969   4.988  -3.269
   62    HD2  TYR  11           2HD      TYR  11  -6.620   8.786  -1.411
   63    HE1  TYR  11           1HE      TYR  11  -8.469   4.769  -3.681
   64    HE2  TYR  11           2HE      TYR  11  -9.118   8.554  -1.829
   65    HH   TYR  11           HH       TYR  11 -10.606   5.840  -2.383
   66    H    THR  12           H        THR  12  -1.917   6.007  -1.433
   67    HA   THR  12           HA       THR  12  -0.327   8.292  -2.022
   68    HB   THR  12           HB       THR  12   0.104   5.759  -0.356
   69    HG1  THR  12           1HG      THR  12  -0.420   8.572   0.276
   70   HG21  THR  12          3HG2      THR  12   1.950   7.932  -1.052
   71   HG22  THR  12          1HG2      THR  12   1.563   7.960   0.685
   72   HG23  THR  12          2HG2      THR  12   2.250   6.492  -0.051
   73    H    GLN  13           H        GLN  13   0.766   8.571  -3.862
   74    HA   GLN  13           HA       GLN  13   1.428   6.447  -5.524
   75    HB2  GLN  13           1HB      GLN  13   1.128   8.909  -6.144
   76    HB3  GLN  13           2HB      GLN  13   2.729   9.202  -5.494
   77    HG2  GLN  13           1HG      GLN  13   3.269   7.064  -7.126
   78    HG3  GLN  13           2HG      GLN  13   1.927   7.777  -8.000
   79   HE21  GLN  13          1HE2      GLN  13   3.222   8.394  -9.703
   80   HE22  GLN  13          2HE2      GLN  13   4.329   9.725  -9.631
   81    H    GLY  14           H        GLY  14   3.456   5.424  -5.991
   82    HA2  GLY  14           1HA      GLY  14   5.727   5.050  -5.664
   83    HA3  GLY  14           2HA      GLY  14   5.698   6.028  -4.209
   84    H    CYS  15           H        CYS  15   2.964   4.418  -3.665
   85    HA   CYS  15           HA       CYS  15   4.374   2.243  -2.321
   86    HB2  CYS  15           1HB      CYS  15   1.989   3.891  -1.664
   87    HB3  CYS  15           2HB      CYS  15   1.944   2.209  -1.175
   88    H    THR  16           H        THR  16   3.924   0.119  -2.909
   89    HA   THR  16           HA       THR  16   2.087  -0.235  -5.142
   90    HB   THR  16           HB       THR  16   3.241  -2.631  -4.875
   91    HG1  THR  16           1HG      THR  16   4.868  -2.538  -3.357
   92   HG21  THR  16          3HG2      THR  16   5.158  -1.900  -6.182
   93   HG22  THR  16          1HG2      THR  16   3.792  -0.871  -6.674
   94   HG23  THR  16          2HG2      THR  16   5.024  -0.241  -5.554
   95    H    CYS  17           H        CYS  17   0.302  -1.603  -5.166
   96    HA   CYS  17           HA       CYS  17  -0.975  -1.822  -2.632
   97    HB2  CYS  17           1HB      CYS  17  -2.434  -1.277  -4.340
   98    HB3  CYS  17           2HB      CYS  17  -1.725  -2.415  -5.469
   99    H    SER  18           H        SER  18   0.410  -3.280  -1.427
  100    HA   SER  18           HA       SER  18   0.547  -5.970  -2.476
  101    HB2  SER  18           1HB      SER  18   1.584  -5.228   0.253
  102    HB3  SER  18           2HB      SER  18   2.231  -6.377  -0.902
  103    HG   SER  18           HG       SER  18   2.403  -4.062  -2.169
  104    H    TRP  19           H        TRP  19  -1.916  -6.081  -2.329
  105    HA   TRP  19           HA       TRP  19  -3.505  -5.564  -0.284
  106    HB2  TRP  19           1HB      TRP  19  -4.025  -6.715  -2.493
  107    HB3  TRP  19           2HB      TRP  19  -3.655  -8.228  -1.688
  108    HD1  TRP  19           HD       TRP  19  -6.461  -5.751  -2.100
  109    HE1  TRP  19           1HE      TRP  19  -8.606  -6.411  -0.711
  110    HE3  TRP  19           3HE      TRP  19  -4.201  -9.375   0.660
  111    HZ2  TRP  19           2HZ      TRP  19  -9.105  -8.332   1.340
  112    HZ3  TRP  19           3HZ      TRP  19  -5.588 -10.595   2.334
  113    HH2  TRP  19           HH       TRP  19  -7.961 -10.124   2.695
  114    HA   PRO  20           HA       PRO  20  -4.873  -6.036   0.901
  115    HB2  PRO  20           1HB      PRO  20  -5.572  -5.605   3.507
  116    HB3  PRO  20           2HB      PRO  20  -6.218  -6.921   2.547
  117    HG2  PRO  20           1HG      PRO  20  -4.181  -7.015   4.687
  118    HG3  PRO  20           2HG      PRO  20  -5.137  -8.325   4.022
  119    HD2  PRO  20           1HD      PRO  20  -2.378  -7.760   3.472
  120    HD3  PRO  20           2HD      PRO  20  -3.365  -9.000   2.720
  121    H    ILE  21           H        ILE  21  -1.911  -5.583   2.405
  122    HA   ILE  21           HA       ILE  21  -2.541  -2.818   3.075
  123    HB   ILE  21           HB       ILE  21  -0.192  -4.591   3.748
  124   HG12  ILE  21          1HG1      ILE  21  -2.615  -4.864   4.789
  125   HG13  ILE  21          2HG1      ILE  21  -1.165  -5.036   5.757
  126   HG21  ILE  21          1HG2      ILE  21  -0.776  -1.749   4.622
  127   HG22  ILE  21          2HG2      ILE  21   0.522  -2.790   5.254
  128   HG23  ILE  21          3HG2      ILE  21   0.541  -2.279   3.549
  129   HD11  ILE  21          3HD1      ILE  21  -2.489  -2.321   5.447
  130   HD12  ILE  21          1HD1      ILE  21  -3.069  -3.493   6.655
  131   HD13  ILE  21          2HD1      ILE  21  -1.397  -2.886   6.735
  132    H    CYS  22           H        CYS  22  -0.980  -1.091   2.448
  133    HA   CYS  22           HA       CYS  22   0.145  -1.663  -0.178
  134    HB2  CYS  22           1HB      CYS  22  -0.502   0.934   1.223
  135    HB3  CYS  22           2HB      CYS  22   0.385   0.848  -0.286
  136    H    LYS  23           H        LYS  23   2.374  -1.748  -0.451
  137    HA   LYS  23           HA       LYS  23   3.975  -0.997   1.896
  138    HB2  LYS  23           1HB      LYS  23   4.028  -3.391   0.118
  139    HB3  LYS  23           2HB      LYS  23   5.573  -2.761   0.654
  140    HG2  LYS  23           1HG      LYS  23   4.887  -4.368   2.314
  141    HG3  LYS  23           2HG      LYS  23   4.669  -2.788   3.042
  142    HD2  LYS  23           1HD      LYS  23   2.331  -2.894   2.931
  143    HD3  LYS  23           2HD      LYS  23   2.333  -3.966   1.544
  144    HE2  LYS  23           1HE      LYS  23   3.509  -5.020   4.111
  145    HE3  LYS  23           2HE      LYS  23   1.767  -4.845   4.035
  146    HZ1  LYS  23           2HZ      LYS  23   2.847  -7.029   3.185
  147    HZ3  LYS  23           1HZ      LYS  23   3.167  -6.198   1.822
  148    H    ARG  24           H        ARG  24   6.238  -0.277   1.351
  149    HA   ARG  24           HA       ARG  24   6.228   1.026  -1.251
  150    HB2  ARG  24           1HB      ARG  24   5.870   2.486   0.939
  151    HB3  ARG  24           2HB      ARG  24   7.592   2.257   1.168
  152    HG2  ARG  24           1HG      ARG  24   7.837   3.065  -1.308
  153    HG3  ARG  24           2HG      ARG  24   6.183   3.622  -1.155
  154    HD2  ARG  24           1HD      ARG  24   7.067   4.777   1.073
  155    HD3  ARG  24           2HD      ARG  24   8.645   4.576   0.335
  156    HE   ARG  24           HE       ARG  24   8.073   6.161  -1.328
  157   HH11  ARG  24          2HH2      ARG  24   5.258   5.349   0.620
  158   HH12  ARG  24          1HH2      ARG  24   4.296   6.650   0.002
  159   HH21  ARG  24          2HH1      ARG  24   6.805   7.877  -2.144
  160   HH22  ARG  24          1HH1      ARG  24   5.182   8.098  -1.581
  161    H    ASN  25           H        ASN  25   7.681  -0.355  -2.321
  162    HA   ASN  25           HA       ASN  25   9.631  -1.096  -2.938
  163    HB2  ASN  25           1HB      ASN  25  10.929   0.169  -0.475
  164    HB3  ASN  25           2HB      ASN  25  11.721  -0.262  -1.978
  165   HD21  ASN  25          1HD2      ASN  25   9.900   2.068  -0.259
  166   HD22  ASN  25          2HD2      ASN  25   9.801   3.298  -1.475
  167    H    GLY  26           H        GLY  26   7.801  -2.287  -0.750
  168    HA2  GLY  26           1HA      GLY  26   7.848  -4.435   0.097
  169    HA3  GLY  26           2HA      GLY  26   9.600  -4.447   0.030
  170    H    LEU  27           H        LEU  27   7.450  -1.926   1.480
  171    HA   LEU  27           HA       LEU  27   8.167  -2.825   4.136
  172    HB2  LEU  27           1HB      LEU  27   8.893  -0.043   3.212
  173    HB3  LEU  27           2HB      LEU  27   9.119  -0.716   4.814
  174    HG   LEU  27           HG       LEU  27  10.480  -1.839   2.356
  175   HD11  LEU  27          1HD1      LEU  27  12.267  -0.373   4.073
  176   HD12  LEU  27          2HD1      LEU  27  11.954  -0.184   2.330
  177   HD13  LEU  27          3HD1      LEU  27  10.948   0.686   3.514
  178   HD21  LEU  27          3HD2      LEU  27  11.841  -3.064   3.817
  179   HD22  LEU  27          1HD2      LEU  27  11.360  -2.094   5.229
  180   HD23  LEU  27          2HD2      LEU  27  10.202  -3.226   4.491
  181    HA   PRO  28           HA       PRO  28   4.064  -1.419   4.473
  182    HB2  PRO  28           1HB      PRO  28   3.606  -2.238   7.039
  183    HB3  PRO  28           2HB      PRO  28   3.436  -3.295   5.652
  184    HG2  PRO  28           1HG      PRO  28   5.598  -3.214   7.666
  185    HG3  PRO  28           2HG      PRO  28   5.187  -4.499   6.547
  186    HD2  PRO  28           1HD      PRO  28   7.367  -2.651   6.311
  187    HD3  PRO  28           2HD      PRO  28   6.886  -3.860   5.137
  188    H    VAL  29           H        VAL  29   5.683   0.652   4.361
  189    HA   VAL  29           HA       VAL  29   5.086   2.100   6.846
  190    HB   VAL  29           HB       VAL  29   7.471   1.789   6.243
  191   HG11  VAL  29          1HG1      VAL  29   6.561   2.505   3.648
  192   HG12  VAL  29          2HG1      VAL  29   7.675   3.784   4.187
  193   HG13  VAL  29          3HG1      VAL  29   8.213   2.087   4.163
  194   HG21  VAL  29          3HG2      VAL  29   6.112   4.359   6.712
  195   HG22  VAL  29          1HG2      VAL  29   7.482   3.610   7.567
  196   HG23  VAL  29          2HG2      VAL  29   7.761   4.516   6.060
  Start of MODEL   12
    1    H1   CYS   1           H        CYS   1   3.010   1.837   4.510
    2    HA   CYS   1           HA       CYS   1   2.739   4.496   3.347
    3    HB2  CYS   1           1HB      CYS   1   1.078   2.046   2.747
    4    HB3  CYS   1           2HB      CYS   1   1.145   3.544   1.839
    5    H    GLY   2           H        GLY   2   0.872   1.933   5.136
    6    HA2  GLY   2           1HA      GLY   2  -0.376   2.387   7.066
    7    HA3  GLY   2           2HA      GLY   2  -0.533   4.065   6.587
    8    H    GLU   3           H        GLU   3  -1.332   3.759   3.852
    9    HA   GLU   3           HA       GLU   3  -4.059   3.256   4.269
   10    HB2  GLU   3           1HB      GLU   3  -4.214   3.682   1.777
   11    HB3  GLU   3           2HB      GLU   3  -3.418   4.953   2.684
   12    HG2  GLU   3           1HG      GLU   3  -1.243   4.297   1.937
   13    HG3  GLU   3           2HG      GLU   3  -1.793   2.710   1.435
   14    H    THR   4           H        THR   4  -5.361   1.765   2.718
   15    HA   THR   4           HA       THR   4  -3.873  -0.739   2.290
   16    HB   THR   4           HB       THR   4  -6.179  -1.778   3.007
   17    HG1  THR   4           1HG      THR   4  -6.177   0.870   4.266
   18   HG21  THR   4          3HG2      THR   4  -5.564  -1.821   5.329
   19   HG22  THR   4          1HG2      THR   4  -4.015  -1.655   4.468
   20   HG23  THR   4          2HG2      THR   4  -4.770  -0.231   5.226
   21    H    CYS   5           H        CYS   5  -4.624  -2.092   0.571
   22    HA   CYS   5           HA       CYS   5  -6.174  -0.546  -1.376
   23    HB2  CYS   5           1HB      CYS   5  -4.949  -1.546  -3.130
   24    HB3  CYS   5           2HB      CYS   5  -3.788  -0.947  -1.962
   25    H    THR   6           H        THR   6  -7.534  -1.969   0.632
   26    HA   THR   6           HA       THR   6  -8.033  -4.628   0.276
   27    HB   THR   6           HB       THR   6  -9.575  -2.220   1.240
   28    HG1  THR   6           1HG      THR   6  -9.301  -3.522   3.151
   29   HG21  THR   6          3HG2      THR   6 -11.404  -3.512   0.228
   30   HG22  THR   6          1HG2      THR   6 -10.722  -5.033   0.851
   31   HG23  THR   6          2HG2      THR   6 -11.403  -3.834   1.978
   32    H    LEU   7           H        LEU   7  -8.851  -1.973  -1.883
   33    HA   LEU   7           HA       LEU   7 -10.704  -3.661  -3.347
   34    HB2  LEU   7           1HB      LEU   7  -9.863  -0.955  -4.272
   35    HB3  LEU   7           2HB      LEU   7 -11.411  -1.764  -4.418
   36    HG   LEU   7           HG       LEU   7 -10.266  -0.514  -1.907
   37   HD11  LEU   7          1HD1      LEU   7 -12.772   0.591  -2.601
   38   HD12  LEU   7          2HD1      LEU   7 -11.173   1.372  -2.636
   39   HD13  LEU   7          3HD1      LEU   7 -11.797   0.554  -4.089
   40   HD21  LEU   7          3HD2      LEU   7 -12.210  -1.151  -0.727
   41   HD22  LEU   7          1HD2      LEU   7 -13.023  -1.714  -2.206
   42   HD23  LEU   7          2HD2      LEU   7 -11.637  -2.620  -1.554
   43    H    GLY   8           H        GLY   8  -7.409  -2.509  -3.405
   44    HA2  GLY   8           1HA      GLY   8  -5.889  -4.004  -4.565
   45    HA3  GLY   8           2HA      GLY   8  -6.976  -3.973  -5.940
   46    H    THR   9           H        THR   9  -6.724  -0.941  -4.233
   47    HA   THR   9           HA       THR   9  -4.671  -0.002  -6.115
   48    HB   THR   9           HB       THR   9  -7.446   1.159  -5.558
   49    HG1  THR   9           1HG      THR   9  -5.871   0.379  -7.910
   50   HG21  THR   9          3HG2      THR   9  -5.992   3.100  -5.685
   51   HG22  THR   9          1HG2      THR   9  -5.006   2.351  -6.963
   52   HG23  THR   9          2HG2      THR   9  -6.668   2.881  -7.317
   53    H    CYS  10           H        CYS  10  -3.719   2.126  -5.452
   54    HA   CYS  10           HA       CYS  10  -3.805   2.372  -2.536
   55    HB2  CYS  10           1HB      CYS  10  -1.399   2.229  -4.342
   56    HB3  CYS  10           2HB      CYS  10  -1.324   3.027  -2.784
   57    H    TYR  11           H        TYR  11  -3.734   4.549  -1.773
   58    HA   TYR  11           HA       TYR  11  -4.336   6.519  -3.815
   59    HB2  TYR  11           1HB      TYR  11  -4.096   6.906  -0.790
   60    HB3  TYR  11           2HB      TYR  11  -5.196   7.721  -1.883
   61    HD1  TYR  11           2HD      TYR  11  -6.337   5.343  -3.338
   62    HD2  TYR  11           1HD      TYR  11  -5.549   5.986   0.818
   63    HE1  TYR  11           2HE      TYR  11  -8.163   3.684  -2.727
   64    HE2  TYR  11           1HE      TYR  11  -7.379   4.325   1.414
   65    HH   TYR  11           HH       TYR  11  -8.915   3.003   0.683
   66    H    THR  12           H        THR  12  -1.649   5.445  -1.859
   67    HA   THR  12           HA       THR  12  -0.293   8.022  -2.221
   68    HB   THR  12           HB       THR  12   0.144   5.588  -0.427
   69    HG1  THR  12           1HG      THR  12  -0.918   7.024   0.877
   70   HG21  THR  12          3HG2      THR  12   1.982   7.886  -1.139
   71   HG22  THR  12          1HG2      THR  12   1.896   7.367   0.561
   72   HG23  THR  12          2HG2      THR  12   2.399   6.213  -0.697
   73    H    GLN  13           H        GLN  13   0.888   8.296  -3.998
   74    HA   GLN  13           HA       GLN  13   1.490   6.177  -5.685
   75    HB2  GLN  13           1HB      GLN  13   1.300   8.707  -6.202
   76    HB3  GLN  13           2HB      GLN  13   2.953   8.844  -5.638
   77    HG2  GLN  13           1HG      GLN  13   3.808   7.493  -7.396
   78    HG3  GLN  13           2HG      GLN  13   2.254   6.751  -7.717
   79   HE21  GLN  13          1HE2      GLN  13   3.075   7.410  -9.918
   80   HE22  GLN  13          2HE2      GLN  13   2.573   8.949 -10.533
   81    H    GLY  14           H        GLY  14   3.598   5.258  -6.273
   82    HA2  GLY  14           1HA      GLY  14   5.785   4.693  -5.899
   83    HA3  GLY  14           2HA      GLY  14   5.829   5.719  -4.478
   84    H    CYS  15           H        CYS  15   3.043   4.242  -3.825
   85    HA   CYS  15           HA       CYS  15   4.391   2.104  -2.377
   86    HB2  CYS  15           1HB      CYS  15   1.988   3.782  -1.885
   87    HB3  CYS  15           2HB      CYS  15   1.921   2.125  -1.317
   88    H    THR  16           H        THR  16   3.938  -0.052  -2.848
   89    HA   THR  16           HA       THR  16   2.201  -0.521  -5.138
   90    HB   THR  16           HB       THR  16   3.316  -2.909  -4.677
   91    HG1  THR  16           1HG      THR  16   4.142  -2.201  -2.576
   92   HG21  THR  16          3HG2      THR  16   5.212  -0.625  -5.391
   93   HG22  THR  16          1HG2      THR  16   5.240  -2.301  -5.991
   94   HG23  THR  16          2HG2      THR  16   3.960  -1.186  -6.526
   95    H    CYS  17           H        CYS  17   0.381  -1.824  -5.162
   96    HA   CYS  17           HA       CYS  17  -0.968  -1.937  -2.653
   97    HB2  CYS  17           1HB      CYS  17  -2.387  -1.368  -4.376
   98    HB3  CYS  17           2HB      CYS  17  -1.674  -2.509  -5.500
   99    H    SER  18           H        SER  18   0.306  -3.433  -1.385
  100    HA   SER  18           HA       SER  18   0.359  -6.141  -2.402
  101    HB2  SER  18           1HB      SER  18   2.310  -4.896  -1.139
  102    HB3  SER  18           2HB      SER  18   1.400  -5.277   0.309
  103    HG   SER  18           HG       SER  18   3.099  -6.875  -0.972
  104    H    TRP  19           H        TRP  19  -2.097  -6.180  -2.307
  105    HA   TRP  19           HA       TRP  19  -3.707  -5.561  -0.295
  106    HB2  TRP  19           1HB      TRP  19  -4.230  -6.706  -2.507
  107    HB3  TRP  19           2HB      TRP  19  -3.945  -8.227  -1.684
  108    HD1  TRP  19           HD       TRP  19  -6.638  -5.655  -2.197
  109    HE1  TRP  19           1HE      TRP  19  -8.835  -6.199  -0.841
  110    HE3  TRP  19           3HE      TRP  19  -4.577  -9.295   0.694
  111    HZ2  TRP  19           2HZ      TRP  19  -9.450  -8.049   1.243
  112    HZ3  TRP  19           3HZ      TRP  19  -6.046 -10.420   2.365
  113    HH2  TRP  19           HH       TRP  19  -8.404  -9.850   2.664
  114    HA   PRO  20           HA       PRO  20  -5.133  -5.992   0.851
  115    HB2  PRO  20           1HB      PRO  20  -5.896  -5.544   3.437
  116    HB3  PRO  20           2HB      PRO  20  -6.555  -6.836   2.453
  117    HG2  PRO  20           1HG      PRO  20  -4.589  -6.999   4.655
  118    HG3  PRO  20           2HG      PRO  20  -5.564  -8.277   3.958
  119    HD2  PRO  20           1HD      PRO  20  -2.775  -7.801   3.493
  120    HD3  PRO  20           2HD      PRO  20  -3.777  -9.005   2.708
  121    H    ILE  21           H        ILE  21  -2.201  -5.636   2.430
  122    HA   ILE  21           HA       ILE  21  -2.762  -2.877   3.154
  123    HB   ILE  21           HB       ILE  21  -0.411  -4.682   3.729
  124   HG12  ILE  21          1HG1      ILE  21  -2.659  -5.244   4.782
  125   HG13  ILE  21          2HG1      ILE  21  -1.303  -5.032   5.870
  126   HG21  ILE  21          1HG2      ILE  21   0.622  -2.672   3.946
  127   HG22  ILE  21          2HG2      ILE  21  -0.897  -1.790   4.229
  128   HG23  ILE  21          3HG2      ILE  21  -0.160  -2.737   5.543
  129   HD11  ILE  21          3HD1      ILE  21  -3.795  -3.591   5.825
  130   HD12  ILE  21          1HD1      ILE  21  -2.442  -3.419   6.968
  131   HD13  ILE  21          2HD1      ILE  21  -2.481  -2.441   5.481
  132    H    CYS  22           H        CYS  22  -1.343  -1.118   2.475
  133    HA   CYS  22           HA       CYS  22  -0.239  -1.593  -0.161
  134    HB2  CYS  22           1HB      CYS  22  -0.942   0.854   1.424
  135    HB3  CYS  22           2HB      CYS  22   0.184   0.977   0.087
  136    H    LYS  23           H        LYS  23   2.013  -1.314  -0.627
  137    HA   LYS  23           HA       LYS  23   3.706  -1.038   1.759
  138    HB2  LYS  23           1HB      LYS  23   4.518  -2.718  -0.598
  139    HB3  LYS  23           2HB      LYS  23   5.096  -2.770   1.055
  140    HG2  LYS  23           1HG      LYS  23   2.244  -3.505   0.247
  141    HG3  LYS  23           2HG      LYS  23   3.536  -4.679   0.399
  142    HD2  LYS  23           1HD      LYS  23   2.301  -2.963   2.586
  143    HD3  LYS  23           2HD      LYS  23   2.375  -4.712   2.503
  144    HE2  LYS  23           1HE      LYS  23   4.689  -2.789   3.000
  145    HE3  LYS  23           2HE      LYS  23   4.051  -3.991   4.104
  146    HZ1  LYS  23           2HZ      LYS  23   5.359  -4.639   1.516
  147    HZ3  LYS  23           1HZ      LYS  23   4.831  -5.730   2.603
  148    H    ARG  24           H        ARG  24   6.054  -0.412   1.058
  149    HA   ARG  24           HA       ARG  24   5.882   1.376  -1.221
  150    HB2  ARG  24           1HB      ARG  24   5.621   2.476   1.181
  151    HB3  ARG  24           2HB      ARG  24   7.350   2.218   1.303
  152    HG2  ARG  24           1HG      ARG  24   7.705   3.510  -0.802
  153    HG3  ARG  24           2HG      ARG  24   5.976   3.745  -0.959
  154    HD2  ARG  24           1HD      ARG  24   5.884   5.317   0.753
  155    HD3  ARG  24           2HD      ARG  24   7.181   4.568   1.664
  156    HE   ARG  24           HE       ARG  24   8.505   5.488  -0.563
  157   HH11  ARG  24          2HH2      ARG  24   6.285   7.028   1.691
  158   HH12  ARG  24          1HH2      ARG  24   6.979   8.602   1.497
  159   HH21  ARG  24          2HH1      ARG  24   9.421   7.565  -0.820
  160   HH22  ARG  24          1HH1      ARG  24   8.776   8.910   0.059
  161    H    ASN  25           H        ASN  25   7.104  -0.462  -2.231
  162    HA   ASN  25           HA       ASN  25   9.025  -1.058  -3.117
  163    HB2  ASN  25           1HB      ASN  25  10.641   0.177  -0.849
  164    HB3  ASN  25           2HB      ASN  25  11.149  -0.111  -2.502
  165   HD21  ASN  25          1HD2      ASN  25  10.576   2.254  -0.482
  166   HD22  ASN  25          2HD2      ASN  25   9.886   3.479  -1.492
  167    H    GLY  26           H        GLY  26   7.452  -2.216  -0.715
  168    HA2  GLY  26           1HA      GLY  26   7.671  -4.404   0.075
  169    HA3  GLY  26           2HA      GLY  26   9.417  -4.279  -0.016
  170    H    LEU  27           H        LEU  27   7.226  -1.795   1.390
  171    HA   LEU  27           HA       LEU  27   7.873  -2.655   4.069
  172    HB2  LEU  27           1HB      LEU  27   8.722   0.085   3.132
  173    HB3  LEU  27           2HB      LEU  27   8.908  -0.592   4.737
  174    HG   LEU  27           HG       LEU  27  10.259  -1.728   2.277
  175   HD11  LEU  27          1HD1      LEU  27  11.181   0.421   2.454
  176   HD12  LEU  27          2HD1      LEU  27  11.194   0.370   4.233
  177   HD13  LEU  27          3HD1      LEU  27  12.330  -0.638   3.306
  178   HD21  LEU  27          3HD2      LEU  27  11.400  -3.171   3.650
  179   HD22  LEU  27          1HD2      LEU  27  11.209  -2.137   5.087
  180   HD23  LEU  27          2HD2      LEU  27   9.830  -3.089   4.485
  181    HA   PRO  28           HA       PRO  28   3.823  -1.079   4.283
  182    HB2  PRO  28           1HB      PRO  28   3.268  -1.849   6.845
  183    HB3  PRO  28           2HB      PRO  28   3.087  -2.913   5.465
  184    HG2  PRO  28           1HG      PRO  28   5.200  -2.901   7.532
  185    HG3  PRO  28           2HG      PRO  28   4.762  -4.180   6.416
  186    HD2  PRO  28           1HD      PRO  28   7.025  -2.429   6.216
  187    HD3  PRO  28           2HD      PRO  28   6.522  -3.629   5.043
  188    H    VAL  29           H        VAL  29   5.524   0.923   4.188
  189    HA   VAL  29           HA       VAL  29   5.006   2.403   6.667
  190    HB   VAL  29           HB       VAL  29   7.347   2.109   6.040
  191   HG11  VAL  29          1HG1      VAL  29   8.112   2.275   3.948
  192   HG12  VAL  29          2HG1      VAL  29   6.427   2.481   3.415
  193   HG13  VAL  29          3HG1      VAL  29   7.430   3.909   3.765
  194   HG21  VAL  29          3HG2      VAL  29   7.617   4.074   7.058
  195   HG22  VAL  29          1HG2      VAL  29   7.444   4.888   5.485
  196   HG23  VAL  29          2HG2      VAL  29   6.014   4.615   6.507
  Start of MODEL   13
    1    H1   CYS   1           H        CYS   1   3.197   1.713   4.527
    2    HA   CYS   1           HA       CYS   1   2.939   4.337   3.293
    3    HB2  CYS   1           1HB      CYS   1   1.375   1.814   2.715
    4    HB3  CYS   1           2HB      CYS   1   1.346   3.305   1.795
    5    H    GLY   2           H        GLY   2   1.096   1.834   5.176
    6    HA2  GLY   2           1HA      GLY   2  -0.279   2.282   6.984
    7    HA3  GLY   2           2HA      GLY   2  -0.357   3.974   6.533
    8    H    GLU   3           H        GLU   3  -1.010   3.631   3.714
    9    HA   GLU   3           HA       GLU   3  -3.782   3.322   4.007
   10    HB2  GLU   3           1HB      GLU   3  -3.816   3.709   1.529
   11    HB3  GLU   3           2HB      GLU   3  -2.884   4.911   2.400
   12    HG2  GLU   3           1HG      GLU   3  -0.876   4.220   1.495
   13    HG3  GLU   3           2HG      GLU   3  -1.325   2.526   1.516
   14    H    THR   4           H        THR   4  -5.103   1.858   2.448
   15    HA   THR   4           HA       THR   4  -3.752  -0.726   2.086
   16    HB   THR   4           HB       THR   4  -6.041  -1.679   2.931
   17    HG1  THR   4           1HG      THR   4  -7.046  -0.027   4.373
   18   HG21  THR   4          3HG2      THR   4  -3.709  -1.224   4.311
   19   HG22  THR   4          1HG2      THR   4  -4.823  -0.171   5.217
   20   HG23  THR   4          2HG2      THR   4  -5.167  -1.912   5.067
   21    H    CYS   5           H        CYS   5  -4.608  -2.067   0.417
   22    HA   CYS   5           HA       CYS   5  -6.253  -0.525  -1.456
   23    HB2  CYS   5           1HB      CYS   5  -5.101  -1.512  -3.280
   24    HB3  CYS   5           2HB      CYS   5  -3.907  -0.840  -2.187
   25    H    THR   6           H        THR   6  -7.567  -1.922   0.533
   26    HA   THR   6           HA       THR   6  -7.995  -4.608   0.259
   27    HB   THR   6           HB       THR   6  -9.592  -2.212   1.166
   28    HG1  THR   6           1HG      THR   6  -9.023  -3.256   3.077
   29   HG21  THR   6          3HG2      THR   6 -11.364  -3.867   1.970
   30   HG22  THR   6          1HG2      THR   6 -11.401  -3.567   0.216
   31   HG23  THR   6          2HG2      THR   6 -10.668  -5.061   0.847
   32    H    LEU   7           H        LEU   7  -8.856  -2.047  -1.984
   33    HA   LEU   7           HA       LEU   7 -10.668  -3.836  -3.391
   34    HB2  LEU   7           1HB      LEU   7  -9.979  -1.115  -4.381
   35    HB3  LEU   7           2HB      LEU   7 -11.490  -1.998  -4.470
   36    HG   LEU   7           HG       LEU   7 -10.346  -0.639  -2.014
   37   HD11  LEU   7          1HD1      LEU   7 -11.252   0.868  -3.774
   38   HD12  LEU   7          2HD1      LEU   7 -12.823   0.045  -3.619
   39   HD13  LEU   7          3HD1      LEU   7 -12.145   0.939  -2.236
   40   HD21  LEU   7          3HD2      LEU   7 -12.203  -1.349  -0.765
   41   HD22  LEU   7          1HD2      LEU   7 -13.070  -1.923  -2.209
   42   HD23  LEU   7          2HD2      LEU   7 -11.641  -2.805  -1.620
   43    H    GLY   8           H        GLY   8  -7.421  -2.576  -3.454
   44    HA2  GLY   8           1HA      GLY   8  -5.872  -4.059  -4.633
   45    HA3  GLY   8           2HA      GLY   8  -6.952  -3.991  -6.011
   46    H    THR   9           H        THR   9  -7.052  -0.962  -4.488
   47    HA   THR   9           HA       THR   9  -4.915   0.054  -6.247
   48    HB   THR   9           HB       THR   9  -7.633   1.275  -5.529
   49    HG1  THR   9           1HG      THR   9  -8.013   0.682  -7.759
   50   HG21  THR   9          3HG2      THR   9  -6.733   2.585  -7.757
   51   HG22  THR   9          1HG2      THR   9  -6.487   3.212  -6.110
   52   HG23  THR   9          2HG2      THR   9  -5.185   2.312  -6.923
   53    H    CYS  10           H        CYS  10  -3.842   2.034  -5.535
   54    HA   CYS  10           HA       CYS  10  -3.923   2.244  -2.612
   55    HB2  CYS  10           1HB      CYS  10  -1.545   2.235  -4.468
   56    HB3  CYS  10           2HB      CYS  10  -1.465   2.896  -2.847
   57    H    TYR  11           H        TYR  11  -3.600   4.428  -1.778
   58    HA   TYR  11           HA       TYR  11  -4.399   6.449  -3.715
   59    HB2  TYR  11           1HB      TYR  11  -4.234   6.073  -0.681
   60    HB3  TYR  11           2HB      TYR  11  -4.442   7.689  -1.325
   61    HD1  TYR  11           1HD      TYR  11  -5.973   4.890  -3.120
   62    HD2  TYR  11           2HD      TYR  11  -6.593   7.879  -0.122
   63    HE1  TYR  11           1HE      TYR  11  -8.483   4.516  -3.257
   64    HE2  TYR  11           2HE      TYR  11  -9.102   7.495  -0.269
   65    HH   TYR  11           HH       TYR  11 -10.539   5.928  -2.783
   66    H    THR  12           H        THR  12  -1.733   5.606  -1.457
   67    HA   THR  12           HA       THR  12  -0.342   8.073  -2.080
   68    HB   THR  12           HB       THR  12   0.363   5.625  -0.375
   69    HG1  THR  12           1HG      THR  12  -0.237   7.344   1.267
   70   HG21  THR  12          3HG2      THR  12   1.540   8.157   0.440
   71   HG22  THR  12          1HG2      THR  12   2.368   6.630   0.051
   72   HG23  THR  12          2HG2      THR  12   2.016   7.805  -1.239
   73    H    GLN  13           H        GLN  13   0.638   8.311  -3.988
   74    HA   GLN  13           HA       GLN  13   1.266   6.158  -5.613
   75    HB2  GLN  13           1HB      GLN  13   1.967   9.096  -5.597
   76    HB3  GLN  13           2HB      GLN  13   2.773   8.039  -6.740
   77    HG2  GLN  13           1HG      GLN  13   0.705   7.404  -7.788
   78    HG3  GLN  13           2HG      GLN  13  -0.257   8.016  -6.456
   79   HE21  GLN  13          1HE2      GLN  13  -1.064   9.979  -6.577
   80   HE22  GLN  13          2HE2      GLN  13  -0.621  11.217  -7.705
   81    H    GLY  14           H        GLY  14   3.334   5.238  -6.227
   82    HA2  GLY  14           1HA      GLY  14   5.619   4.920  -5.989
   83    HA3  GLY  14           2HA      GLY  14   5.626   5.895  -4.533
   84    H    CYS  15           H        CYS  15   3.004   4.272  -3.762
   85    HA   CYS  15           HA       CYS  15   4.526   2.152  -2.478
   86    HB2  CYS  15           1HB      CYS  15   2.045   3.657  -1.835
   87    HB3  CYS  15           2HB      CYS  15   2.111   1.985  -1.317
   88    H    THR  16           H        THR  16   4.033  -0.052  -2.834
   89    HA   THR  16           HA       THR  16   2.381  -0.559  -5.179
   90    HB   THR  16           HB       THR  16   3.477  -2.937  -4.639
   91    HG1  THR  16           1HG      THR  16   4.316  -2.360  -2.569
   92   HG21  THR  16          3HG2      THR  16   5.371  -0.643  -5.335
   93   HG22  THR  16          1HG2      THR  16   5.472  -2.338  -5.870
   94   HG23  THR  16          2HG2      THR  16   4.188  -1.280  -6.503
   95    H    CYS  17           H        CYS  17   0.566  -1.871  -5.244
   96    HA   CYS  17           HA       CYS  17  -0.854  -1.960  -2.764
   97    HB2  CYS  17           1HB      CYS  17  -2.180  -1.340  -4.572
   98    HB3  CYS  17           2HB      CYS  17  -1.518  -2.575  -5.625
   99    H    SER  18           H        SER  18   0.404  -3.479  -1.495
  100    HA   SER  18           HA       SER  18   0.404  -6.184  -2.528
  101    HB2  SER  18           1HB      SER  18   2.482  -5.284  -1.474
  102    HB3  SER  18           2HB      SER  18   1.613  -5.038   0.029
  103    HG   SER  18           HG       SER  18   2.928  -7.189  -0.559
  104    H    TRP  19           H        TRP  19  -2.054  -6.165  -2.395
  105    HA   TRP  19           HA       TRP  19  -3.630  -5.512  -0.381
  106    HB2  TRP  19           1HB      TRP  19  -4.209  -6.679  -2.555
  107    HB3  TRP  19           2HB      TRP  19  -3.895  -8.196  -1.735
  108    HD1  TRP  19           HD       TRP  19  -6.627  -5.676  -2.228
  109    HE1  TRP  19           1HE      TRP  19  -8.785  -6.217  -0.808
  110    HE3  TRP  19           3HE      TRP  19  -4.451  -9.212   0.707
  111    HZ2  TRP  19           2HZ      TRP  19  -9.327  -8.021   1.335
  112    HZ3  TRP  19           3HZ      TRP  19  -5.865 -10.316   2.439
  113    HH2  TRP  19           HH       TRP  19  -8.224  -9.771   2.776
  114    HA   PRO  20           HA       PRO  20  -5.020  -5.861   0.807
  115    HB2  PRO  20           1HB      PRO  20  -5.708  -5.316   3.396
  116    HB3  PRO  20           2HB      PRO  20  -6.427  -6.616   2.467
  117    HG2  PRO  20           1HG      PRO  20  -4.412  -6.774   4.626
  118    HG3  PRO  20           2HG      PRO  20  -5.442  -8.041   3.989
  119    HD2  PRO  20           1HD      PRO  20  -2.651  -7.662   3.445
  120    HD3  PRO  20           2HD      PRO  20  -3.707  -8.858   2.720
  121    H    ILE  21           H        ILE  21  -2.056  -5.545   2.361
  122    HA   ILE  21           HA       ILE  21  -2.527  -2.732   2.942
  123    HB   ILE  21           HB       ILE  21  -0.282  -4.613   3.675
  124   HG12  ILE  21          1HG1      ILE  21  -2.348  -5.165   4.817
  125   HG13  ILE  21          2HG1      ILE  21  -1.208  -4.456   5.943
  126   HG21  ILE  21          1HG2      ILE  21   0.303  -2.709   5.281
  127   HG22  ILE  21          2HG2      ILE  21   0.739  -2.505   3.567
  128   HG23  ILE  21          3HG2      ILE  21  -0.691  -1.675   4.227
  129   HD11  ILE  21          3HD1      ILE  21  -3.669  -3.173   4.709
  130   HD12  ILE  21          1HD1      ILE  21  -3.264  -3.366   6.431
  131   HD13  ILE  21          2HD1      ILE  21  -2.378  -2.187   5.435
  132    H    CYS  22           H        CYS  22  -0.978  -1.081   2.225
  133    HA   CYS  22           HA       CYS  22   0.240  -1.820  -0.320
  134    HB2  CYS  22           1HB      CYS  22  -0.461   0.867   0.872
  135    HB3  CYS  22           2HB      CYS  22   0.469   0.673  -0.600
  136    H    LYS  23           H        LYS  23   2.455  -2.069  -0.411
  137    HA   LYS  23           HA       LYS  23   3.965  -1.105   1.916
  138    HB2  LYS  23           1HB      LYS  23   4.126  -3.584   0.251
  139    HB3  LYS  23           2HB      LYS  23   5.620  -2.928   0.888
  140    HG2  LYS  23           1HG      LYS  23   4.989  -4.281   2.675
  141    HG3  LYS  23           2HG      LYS  23   4.241  -2.775   3.165
  142    HD2  LYS  23           1HD      LYS  23   2.075  -3.497   2.199
  143    HD3  LYS  23           2HD      LYS  23   2.807  -4.969   1.594
  144    HE2  LYS  23           1HE      LYS  23   3.384  -4.714   4.436
  145    HE3  LYS  23           2HE      LYS  23   1.662  -4.518   4.180
  146    HZ1  LYS  23           2HZ      LYS  23   3.149  -6.900   4.053
  147    HZ3  LYS  23           1HZ      LYS  23   2.508  -6.651   2.576
  148    H    ARG  24           H        ARG  24   6.273  -0.456   1.411
  149    HA   ARG  24           HA       ARG  24   6.390   0.685  -1.262
  150    HB2  ARG  24           1HB      ARG  24   5.886   2.283   0.825
  151    HB3  ARG  24           2HB      ARG  24   7.612   2.143   1.098
  152    HG2  ARG  24           1HG      ARG  24   7.856   2.759  -1.441
  153    HG3  ARG  24           2HG      ARG  24   6.187   3.281  -1.334
  154    HD2  ARG  24           1HD      ARG  24   7.670   4.339   0.940
  155    HD3  ARG  24           2HD      ARG  24   8.522   4.731  -0.540
  156    HE   ARG  24           HE       ARG  24   5.694   5.239  -0.856
  157   HH11  ARG  24          2HH2      ARG  24   8.596   6.551   0.639
  158   HH12  ARG  24          1HH2      ARG  24   8.022   8.185   0.620
  159   HH21  ARG  24          2HH1      ARG  24   4.936   7.394  -0.882
  160   HH22  ARG  24          1HH1      ARG  24   5.925   8.667  -0.251
  161    H    ASN  25           H        ASN  25   8.032  -0.488  -2.234
  162    HA   ASN  25           HA       ASN  25   9.997  -1.313  -2.628
  163    HB2  ASN  25           1HB      ASN  25  10.665   0.707  -0.495
  164    HB3  ASN  25           2HB      ASN  25  11.899  -0.487  -0.844
  165   HD21  ASN  25          1HD2      ASN  25  10.983   2.514  -1.525
  166   HD22  ASN  25          2HD2      ASN  25  11.554   2.720  -3.147
  167    H    GLY  26           H        GLY  26   8.066  -2.479  -0.565
  168    HA2  GLY  26           1HA      GLY  26   8.105  -4.531   0.462
  169    HA3  GLY  26           2HA      GLY  26   9.858  -4.511   0.484
  170    H    LEU  27           H        LEU  27   7.685  -1.876   1.640
  171    HA   LEU  27           HA       LEU  27   8.222  -2.622   4.391
  172    HB2  LEU  27           1HB      LEU  27   9.038   0.075   3.307
  173    HB3  LEU  27           2HB      LEU  27   9.130  -0.452   4.975
  174    HG   LEU  27           HG       LEU  27  10.636  -1.895   2.795
  175   HD11  LEU  27          1HD1      LEU  27  11.554   0.184   2.442
  176   HD12  LEU  27          2HD1      LEU  27  11.310   0.704   4.126
  177   HD13  LEU  27          3HD1      LEU  27  12.610  -0.444   3.730
  178   HD21  LEU  27          3HD2      LEU  27  10.754  -3.228   4.654
  179   HD22  LEU  27          1HD2      LEU  27  12.176  -2.189   4.915
  180   HD23  LEU  27          2HD2      LEU  27  10.660  -1.857   5.786
  181    HA   PRO  28           HA       PRO  28   4.107  -1.189   4.355
  182    HB2  PRO  28           1HB      PRO  28   3.445  -1.961   6.891
  183    HB3  PRO  28           2HB      PRO  28   3.364  -3.037   5.511
  184    HG2  PRO  28           1HG      PRO  28   5.368  -2.954   7.682
  185    HG3  PRO  28           2HG      PRO  28   5.023  -4.252   6.555
  186    HD2  PRO  28           1HD      PRO  28   7.243  -2.437   6.457
  187    HD3  PRO  28           2HD      PRO  28   6.834  -3.658   5.269
  188    H    VAL  29           H        VAL  29   5.755   0.859   4.332
  189    HA   VAL  29           HA       VAL  29   5.065   2.339   6.768
  190    HB   VAL  29           HB       VAL  29   7.455   2.066   6.216
  191   HG11  VAL  29          1HG1      VAL  29   7.624   3.993   4.073
  192   HG12  VAL  29          2HG1      VAL  29   8.259   2.333   4.153
  193   HG13  VAL  29          3HG1      VAL  29   6.599   2.624   3.582
  194   HG21  VAL  29          3HG2      VAL  29   7.688   4.801   5.918
  195   HG22  VAL  29          1HG2      VAL  29   6.051   4.617   6.594
  196   HG23  VAL  29          2HG2      VAL  29   7.452   3.938   7.457
  Start of MODEL   14
    1    H1   CYS   1           H        CYS   1   3.246   1.557   4.605
    2    HA   CYS   1           HA       CYS   1   3.016   4.209   3.423
    3    HB2  CYS   1           1HB      CYS   1   1.407   1.724   2.809
    4    HB3  CYS   1           2HB      CYS   1   1.394   3.235   1.921
    5    H    GLY   2           H        GLY   2   1.207   1.703   5.325
    6    HA2  GLY   2           1HA      GLY   2  -0.162   2.110   7.129
    7    HA3  GLY   2           2HA      GLY   2  -0.200   3.819   6.746
    8    H    GLU   3           H        GLU   3  -0.852   3.472   3.874
    9    HA   GLU   3           HA       GLU   3  -3.644   3.297   4.199
   10    HB2  GLU   3           1HB      GLU   3  -2.646   4.873   2.610
   11    HB3  GLU   3           2HB      GLU   3  -1.891   3.566   1.719
   12    HG2  GLU   3           1HG      GLU   3  -4.050   2.695   1.001
   13    HG3  GLU   3           2HG      GLU   3  -4.913   3.763   2.091
   14    H    THR   4           H        THR   4  -5.027   1.907   2.625
   15    HA   THR   4           HA       THR   4  -3.772  -0.717   2.207
   16    HB   THR   4           HB       THR   4  -6.112  -1.582   3.055
   17    HG1  THR   4           1HG      THR   4  -5.803   1.078   4.259
   18   HG21  THR   4          3HG2      THR   4  -4.564  -0.193   5.263
   19   HG22  THR   4          1HG2      THR   4  -5.302  -1.813   5.264
   20   HG23  THR   4          2HG2      THR   4  -3.790  -1.524   4.370
   21    H    CYS   5           H        CYS   5  -4.685  -1.995   0.523
   22    HA   CYS   5           HA       CYS   5  -6.347  -0.386  -1.278
   23    HB2  CYS   5           1HB      CYS   5  -5.209  -1.256  -3.155
   24    HB3  CYS   5           2HB      CYS   5  -3.993  -0.664  -2.041
   25    H    THR   6           H        THR   6  -7.649  -1.843   0.646
   26    HA   THR   6           HA       THR   6  -8.044  -4.523   0.340
   27    HB   THR   6           HB       THR   6  -9.697  -2.155   1.225
   28    HG1  THR   6           1HG      THR   6  -8.804  -4.767   2.231
   29   HG21  THR   6          3HG2      THR   6 -11.456  -3.549   0.222
   30   HG22  THR   6          1HG2      THR   6 -10.718  -5.025   0.893
   31   HG23  THR   6          2HG2      THR   6 -11.463  -3.829   1.981
   32    H    LEU   7           H        LEU   7  -8.910  -1.957  -1.901
   33    HA   LEU   7           HA       LEU   7 -10.672  -3.757  -3.352
   34    HB2  LEU   7           1HB      LEU   7  -9.960  -1.030  -4.318
   35    HB3  LEU   7           2HB      LEU   7 -11.464  -1.918  -4.461
   36    HG   LEU   7           HG       LEU   7 -10.406  -0.562  -1.966
   37   HD11  LEU   7          1HD1      LEU   7 -11.610   0.616  -4.104
   38   HD12  LEU   7          2HD1      LEU   7 -13.019   0.216  -3.091
   39   HD13  LEU   7          3HD1      LEU   7 -11.700   1.213  -2.429
   40   HD21  LEU   7          3HD2      LEU   7 -11.682  -2.735  -1.601
   41   HD22  LEU   7          1HD2      LEU   7 -12.308  -1.284  -0.781
   42   HD23  LEU   7          2HD2      LEU   7 -13.104  -1.888  -2.254
   43    H    GLY   8           H        GLY   8  -7.443  -2.446  -3.384
   44    HA2  GLY   8           1HA      GLY   8  -5.819  -3.855  -4.493
   45    HA3  GLY   8           2HA      GLY   8  -6.884  -3.928  -5.883
   46    H    THR   9           H        THR   9  -6.995  -0.824  -4.392
   47    HA   THR   9           HA       THR   9  -4.953   0.186  -6.260
   48    HB   THR   9           HB       THR   9  -7.481   1.715  -5.556
   49    HG1  THR   9           1HG      THR   9  -8.140  -0.405  -6.316
   50   HG21  THR   9          3HG2      THR   9  -6.512   1.580  -8.348
   51   HG22  THR   9          1HG2      THR   9  -6.883   3.010  -7.355
   52   HG23  THR   9          2HG2      THR   9  -5.287   2.231  -7.234
   53    H    CYS  10           H        CYS  10  -3.643   1.874  -5.571
   54    HA   CYS  10           HA       CYS  10  -3.908   2.433  -2.706
   55    HB2  CYS  10           1HB      CYS  10  -1.433   2.158  -4.415
   56    HB3  CYS  10           2HB      CYS  10  -1.419   2.866  -2.812
   57    H    TYR  11           H        TYR  11  -3.794   4.636  -2.074
   58    HA   TYR  11           HA       TYR  11  -4.164   6.518  -4.250
   59    HB2  TYR  11           1HB      TYR  11  -4.241   6.655  -1.171
   60    HB3  TYR  11           2HB      TYR  11  -4.721   7.983  -2.211
   61    HD1  TYR  11           2HD      TYR  11  -5.813   5.322  -4.043
   62    HD2  TYR  11           1HD      TYR  11  -6.677   7.265  -0.330
   63    HE1  TYR  11           2HE      TYR  11  -8.185   4.410  -4.110
   64    HE2  TYR  11           1HE      TYR  11  -9.047   6.347  -0.410
   65    HH   TYR  11           HH       TYR  11 -10.311   4.715  -1.372
   66    H    THR  12           H        THR  12  -1.785   5.615  -1.759
   67    HA   THR  12           HA       THR  12  -0.263   8.043  -2.155
   68    HB   THR  12           HB       THR  12   0.122   5.483  -0.521
   69    HG1  THR  12           1HG      THR  12  -1.539   7.023   0.151
   70   HG21  THR  12          3HG2      THR  12   1.627   7.727   0.472
   71   HG22  THR  12          1HG2      THR  12   2.259   6.158  -0.085
   72   HG23  THR  12          2HG2      THR  12   2.076   7.503  -1.236
   73    H    GLN  13           H        GLN  13   0.844   8.357  -3.981
   74    HA   GLN  13           HA       GLN  13   1.554   6.234  -5.644
   75    HB2  GLN  13           1HB      GLN  13   2.455   9.143  -5.551
   76    HB3  GLN  13           2HB      GLN  13   2.927   8.040  -6.828
   77    HG2  GLN  13           1HG      GLN  13   0.522   7.627  -7.371
   78    HG3  GLN  13           2HG      GLN  13   0.041   8.713  -6.082
   79   HE21  GLN  13          1HE2      GLN  13   0.684  10.942  -6.191
   80   HE22  GLN  13          2HE2      GLN  13   0.902  11.727  -7.720
   81    H    GLY  14           H        GLY  14   3.539   5.161  -5.990
   82    HA2  GLY  14           1HA      GLY  14   5.852   4.906  -5.693
   83    HA3  GLY  14           2HA      GLY  14   5.789   5.907  -4.257
   84    H    CYS  15           H        CYS  15   3.086   4.191  -3.752
   85    HA   CYS  15           HA       CYS  15   4.556   2.100  -2.337
   86    HB2  CYS  15           1HB      CYS  15   2.107   3.674  -1.737
   87    HB3  CYS  15           2HB      CYS  15   2.117   2.001  -1.219
   88    H    THR  16           H        THR  16   4.046  -0.084  -2.739
   89    HA   THR  16           HA       THR  16   2.389  -0.543  -5.089
   90    HB   THR  16           HB       THR  16   3.449  -2.943  -4.575
   91    HG1  THR  16           1HG      THR  16   4.364  -2.510  -2.541
   92   HG21  THR  16          3HG2      THR  16   5.414  -2.379  -5.833
   93   HG22  THR  16          1HG2      THR  16   4.193  -1.211  -6.393
   94   HG23  THR  16          2HG2      THR  16   5.427  -0.710  -5.212
   95    H    CYS  17           H        CYS  17   0.577  -1.877  -5.175
   96    HA   CYS  17           HA       CYS  17  -0.876  -1.934  -2.714
   97    HB2  CYS  17           1HB      CYS  17  -2.141  -1.330  -4.592
   98    HB3  CYS  17           2HB      CYS  17  -1.512  -2.643  -5.566
   99    H    SER  18           H        SER  18   0.451  -3.425  -1.444
  100    HA   SER  18           HA       SER  18   0.446  -6.147  -2.416
  101    HB2  SER  18           1HB      SER  18   2.519  -5.349  -1.386
  102    HB3  SER  18           2HB      SER  18   1.664  -4.847   0.059
  103    HG   SER  18           HG       SER  18   1.002  -7.244   0.168
  104    H    TRP  19           H        TRP  19  -2.029  -6.084  -2.317
  105    HA   TRP  19           HA       TRP  19  -3.614  -5.422  -0.311
  106    HB2  TRP  19           1HB      TRP  19  -4.206  -6.552  -2.491
  107    HB3  TRP  19           2HB      TRP  19  -3.893  -8.086  -1.704
  108    HD1  TRP  19           HD       TRP  19  -6.614  -5.530  -2.115
  109    HE1  TRP  19           1HE      TRP  19  -8.773  -6.105  -0.711
  110    HE3  TRP  19           3HE      TRP  19  -4.458  -9.185   0.685
  111    HZ2  TRP  19           2HZ      TRP  19  -9.325  -7.983   1.366
  112    HZ3  TRP  19           3HZ      TRP  19  -5.876 -10.339   2.380
  113    HH2  TRP  19           HH       TRP  19  -8.231  -9.791   2.742
  114    HA   PRO  20           HA       PRO  20  -5.017  -5.761   0.865
  115    HB2  PRO  20           1HB      PRO  20  -5.714  -5.223   3.452
  116    HB3  PRO  20           2HB      PRO  20  -6.444  -6.507   2.510
  117    HG2  PRO  20           1HG      PRO  20  -4.447  -6.706   4.680
  118    HG3  PRO  20           2HG      PRO  20  -5.489  -7.956   4.030
  119    HD2  PRO  20           1HD      PRO  20  -2.690  -7.610   3.506
  120    HD3  PRO  20           2HD      PRO  20  -3.757  -8.788   2.767
  121    H    ILE  21           H        ILE  21  -2.049  -5.497   2.401
  122    HA   ILE  21           HA       ILE  21  -2.478  -2.686   3.026
  123    HB   ILE  21           HB       ILE  21  -0.154  -4.508   3.664
  124   HG12  ILE  21          1HG1      ILE  21  -2.482  -5.087   4.631
  125   HG13  ILE  21          2HG1      ILE  21  -1.107  -5.009   5.714
  126   HG21  ILE  21          1HG2      ILE  21  -0.088  -2.552   5.527
  127   HG22  ILE  21          2HG2      ILE  21   0.838  -2.515   4.007
  128   HG23  ILE  21          3HG2      ILE  21  -0.707  -1.638   4.131
  129   HD11  ILE  21          3HD1      ILE  21  -2.039  -3.315   6.898
  130   HD12  ILE  21          1HD1      ILE  21  -2.327  -2.366   5.421
  131   HD13  ILE  21          2HD1      ILE  21  -3.523  -3.573   5.952
  132    H    CYS  22           H        CYS  22  -0.949  -1.036   2.295
  133    HA   CYS  22           HA       CYS  22   0.246  -1.758  -0.265
  134    HB2  CYS  22           1HB      CYS  22  -0.443   0.922   0.951
  135    HB3  CYS  22           2HB      CYS  22   0.468   0.736  -0.535
  136    H    LYS  23           H        LYS  23   2.478  -1.872  -0.452
  137    HA   LYS  23           HA       LYS  23   3.996  -1.078   1.929
  138    HB2  LYS  23           1HB      LYS  23   4.192  -3.359   0.021
  139    HB3  LYS  23           2HB      LYS  23   5.698  -2.698   0.625
  140    HG2  LYS  23           1HG      LYS  23   5.243  -4.233   2.313
  141    HG3  LYS  23           2HG      LYS  23   4.458  -2.819   2.985
  142    HD2  LYS  23           1HD      LYS  23   2.284  -3.582   1.923
  143    HD3  LYS  23           2HD      LYS  23   3.096  -5.044   1.398
  144    HE2  LYS  23           1HE      LYS  23   2.266  -4.218   4.161
  145    HE3  LYS  23           2HE      LYS  23   2.216  -5.803   3.414
  146    HZ1  LYS  23           2HZ      LYS  23   4.597  -4.443   4.533
  147    HZ3  LYS  23           1HZ      LYS  23   4.737  -5.747   3.567
  148    H    ARG  24           H        ARG  24   6.423  -0.551   1.257
  149    HA   ARG  24           HA       ARG  24   6.370   0.994  -1.189
  150    HB2  ARG  24           1HB      ARG  24   5.899   2.348   1.060
  151    HB3  ARG  24           2HB      ARG  24   7.628   2.193   1.298
  152    HG2  ARG  24           1HG      ARG  24   7.938   3.150  -1.064
  153    HG3  ARG  24           2HG      ARG  24   6.219   3.492  -1.076
  154    HD2  ARG  24           1HD      ARG  24   6.448   4.951   0.907
  155    HD3  ARG  24           2HD      ARG  24   8.141   4.530   1.062
  156    HE   ARG  24           HE       ARG  24   8.662   5.928  -0.776
  157   HH11  ARG  24          2HH2      ARG  24   5.176   5.605  -0.419
  158   HH12  ARG  24          1HH2      ARG  24   4.816   6.890  -1.524
  159   HH21  ARG  24          2HH1      ARG  24   8.187   7.622  -2.233
  160   HH22  ARG  24          1HH1      ARG  24   6.541   8.045  -2.563
  161    H    ASN  25           H        ASN  25   7.852  -0.459  -2.182
  162    HA   ASN  25           HA       ASN  25   9.853  -1.094  -2.774
  163    HB2  ASN  25           1HB      ASN  25  11.083   0.176  -0.282
  164    HB3  ASN  25           2HB      ASN  25  11.883  -0.173  -1.803
  165   HD21  ASN  25          1HD2      ASN  25  10.101   2.061   0.027
  166   HD22  ASN  25          2HD2      ASN  25   9.900   3.312  -1.154
  167    H    GLY  26           H        GLY  26   8.011  -2.367  -0.659
  168    HA2  GLY  26           1HA      GLY  26   8.117  -4.513   0.184
  169    HA3  GLY  26           2HA      GLY  26   9.868  -4.453   0.182
  170    H    LEU  27           H        LEU  27   7.665  -1.942   1.536
  171    HA   LEU  27           HA       LEU  27   8.217  -2.861   4.224
  172    HB2  LEU  27           1HB      LEU  27   9.051  -0.093   3.356
  173    HB3  LEU  27           2HB      LEU  27   9.185  -0.784   4.961
  174    HG   LEU  27           HG       LEU  27  10.646  -1.887   2.550
  175   HD11  LEU  27          1HD1      LEU  27  11.952  -0.089   2.614
  176   HD12  LEU  27          2HD1      LEU  27  11.180   0.510   4.101
  177   HD13  LEU  27          3HD1      LEU  27  12.519  -0.658   4.202
  178   HD21  LEU  27          3HD2      LEU  27  11.515  -3.451   3.889
  179   HD22  LEU  27          1HD2      LEU  27  11.760  -2.307   5.230
  180   HD23  LEU  27          2HD2      LEU  27  10.167  -3.061   4.985
  181    HA   PRO  28           HA       PRO  28   4.134  -1.362   4.335
  182    HB2  PRO  28           1HB      PRO  28   3.512  -2.187   6.865
  183    HB3  PRO  28           2HB      PRO  28   3.395  -3.230   5.461
  184    HG2  PRO  28           1HG      PRO  28   5.441  -3.218   7.595
  185    HG3  PRO  28           2HG      PRO  28   5.063  -4.483   6.444
  186    HD2  PRO  28           1HD      PRO  28   7.297  -2.688   6.347
  187    HD3  PRO  28           2HD      PRO  28   6.854  -3.876   5.137
  188    H    VAL  29           H        VAL  29   5.802   0.671   4.331
  189    HA   VAL  29           HA       VAL  29   5.161   2.100   6.812
  190    HB   VAL  29           HB       VAL  29   7.539   1.827   6.261
  191   HG11  VAL  29          1HG1      VAL  29   6.685   2.382   3.621
  192   HG12  VAL  29          2HG1      VAL  29   7.744   3.727   4.103
  193   HG13  VAL  29          3HG1      VAL  29   8.338   2.052   4.191
  194   HG21  VAL  29          3HG2      VAL  29   7.613   3.717   7.458
  195   HG22  VAL  29          1HG2      VAL  29   7.756   4.578   5.907
  196   HG23  VAL  29          2HG2      VAL  29   6.159   4.370   6.664
  Start of MODEL   15
    1    H1   CYS   1           H        CYS   1   3.086   1.786   4.626
    2    HA   CYS   1           HA       CYS   1   2.654   4.441   3.500
    3    HB2  CYS   1           1HB      CYS   1   1.208   1.870   2.840
    4    HB3  CYS   1           2HB      CYS   1   1.097   3.397   1.986
    5    H    GLY   2           H        GLY   2   1.040   1.750   5.330
    6    HA2  GLY   2           1HA      GLY   2  -0.332   1.991   7.160
    7    HA3  GLY   2           2HA      GLY   2  -0.472   3.712   6.856
    8    H    GLU   3           H        GLU   3  -1.111   3.385   3.949
    9    HA   GLU   3           HA       GLU   3  -3.892   3.104   4.283
   10    HB2  GLU   3           1HB      GLU   3  -2.938   4.718   2.695
   11    HB3  GLU   3           2HB      GLU   3  -2.172   3.430   1.787
   12    HG2  GLU   3           1HG      GLU   3  -4.320   2.523   1.091
   13    HG3  GLU   3           2HG      GLU   3  -5.189   3.557   2.208
   14    H    THR   4           H        THR   4  -5.229   1.673   2.703
   15    HA   THR   4           HA       THR   4  -3.888  -0.915   2.310
   16    HB   THR   4           HB       THR   4  -6.250  -1.819   3.084
   17    HG1  THR   4           1HG      THR   4  -5.988   0.820   4.343
   18   HG21  THR   4          3HG2      THR   4  -3.860  -1.117   4.576
   19   HG22  THR   4          1HG2      THR   4  -5.288  -0.751   5.574
   20   HG23  THR   4          2HG2      THR   4  -5.046  -2.395   4.936
   21    H    CYS   5           H        CYS   5  -4.734  -2.231   0.613
   22    HA   CYS   5           HA       CYS   5  -6.366  -0.667  -1.253
   23    HB2  CYS   5           1HB      CYS   5  -5.140  -1.456  -3.077
   24    HB3  CYS   5           2HB      CYS   5  -3.946  -0.963  -1.893
   25    H    THR   6           H        THR   6  -7.591  -2.213   0.733
   26    HA   THR   6           HA       THR   6  -7.954  -4.884   0.334
   27    HB   THR   6           HB       THR   6  -9.616  -2.582   1.360
   28    HG1  THR   6           1HG      THR   6  -7.866  -3.967   2.444
   29   HG21  THR   6          3HG2      THR   6 -11.330  -4.317   2.104
   30   HG22  THR   6          1HG2      THR   6 -11.387  -3.956   0.362
   31   HG23  THR   6          2HG2      THR   6 -10.605  -5.448   0.936
   32    H    LEU   7           H        LEU   7  -8.929  -2.252  -1.780
   33    HA   LEU   7           HA       LEU   7 -10.706  -4.023  -3.246
   34    HB2  LEU   7           1HB      LEU   7 -10.066  -1.250  -4.126
   35    HB3  LEU   7           2HB      LEU   7 -11.559  -2.157  -4.260
   36    HG   LEU   7           HG       LEU   7 -10.450  -0.884  -1.743
   37   HD11  LEU   7          1HD1      LEU   7 -11.420   0.953  -2.541
   38   HD12  LEU   7          2HD1      LEU   7 -12.208   0.060  -3.863
   39   HD13  LEU   7          3HD1      LEU   7 -12.978   0.141  -2.261
   40   HD21  LEU   7          3HD2      LEU   7 -11.679  -3.081  -1.414
   41   HD22  LEU   7          1HD2      LEU   7 -12.327  -1.669  -0.545
   42   HD23  LEU   7          2HD2      LEU   7 -13.131  -2.249  -2.022
   43    H    GLY   8           H        GLY   8  -7.502  -2.638  -3.334
   44    HA2  GLY   8           1HA      GLY   8  -5.881  -3.964  -4.536
   45    HA3  GLY   8           2HA      GLY   8  -6.996  -4.045  -5.886
   46    H    THR   9           H        THR   9  -6.894  -1.004  -4.136
   47    HA   THR   9           HA       THR   9  -5.040   0.111  -6.124
   48    HB   THR   9           HB       THR   9  -7.764   1.264  -5.321
   49    HG1  THR   9           1HG      THR   9  -7.778  -0.671  -6.726
   50   HG21  THR   9          3HG2      THR   9  -5.897   2.894  -6.089
   51   HG22  THR   9          1HG2      THR   9  -5.936   2.031  -7.645
   52   HG23  THR   9          2HG2      THR   9  -7.384   2.890  -7.067
   53    H    CYS  10           H        CYS  10  -4.008   2.113  -5.481
   54    HA   CYS  10           HA       CYS  10  -4.133   2.518  -2.585
   55    HB2  CYS  10           1HB      CYS  10  -1.669   2.222  -4.303
   56    HB3  CYS  10           2HB      CYS  10  -1.637   2.987  -2.727
   57    H    TYR  11           H        TYR  11  -3.994   4.728  -1.954
   58    HA   TYR  11           HA       TYR  11  -4.415   6.599  -4.130
   59    HB2  TYR  11           1HB      TYR  11  -4.637   6.468  -1.082
   60    HB3  TYR  11           2HB      TYR  11  -4.658   8.040  -1.854
   61    HD1  TYR  11           2HD      TYR  11  -6.176   4.944  -3.254
   62    HD2  TYR  11           1HD      TYR  11  -6.882   8.703  -1.335
   63    HE1  TYR  11           2HE      TYR  11  -8.670   4.705  -3.686
   64    HE2  TYR  11           1HE      TYR  11  -9.374   8.449  -1.774
   65    HH   TYR  11           HH       TYR  11 -10.708   6.980  -3.774
   66    H    THR  12           H        THR  12  -2.126   5.984  -1.405
   67    HA   THR  12           HA       THR  12  -0.583   8.319  -1.948
   68    HB   THR  12           HB       THR  12  -0.128   5.778  -0.302
   69    HG1  THR  12           1HG      THR  12  -0.741   7.365   1.357
   70   HG21  THR  12          3HG2      THR  12   1.968   6.537   0.188
   71   HG22  THR  12          1HG2      THR  12   1.776   7.812  -1.039
   72   HG23  THR  12          2HG2      THR  12   1.291   8.118   0.646
   73    H    GLN  13           H        GLN  13   0.519   8.638  -3.776
   74    HA   GLN  13           HA       GLN  13   1.222   6.552  -5.464
   75    HB2  GLN  13           1HB      GLN  13   1.896   9.483  -5.270
   76    HB3  GLN  13           2HB      GLN  13   2.834   8.492  -6.371
   77    HG2  GLN  13           1HG      GLN  13   0.313   7.633  -7.013
   78    HG3  GLN  13           2HG      GLN  13  -0.057   9.268  -6.501
   79   HE21  GLN  13          1HE2      GLN  13   1.616   7.253  -8.785
   80   HE22  GLN  13          2HE2      GLN  13   2.000   8.463  -9.964
   81    H    GLY  14           H        GLY  14   3.307   5.625  -5.983
   82    HA2  GLY  14           1HA      GLY  14   5.555   5.226  -5.625
   83    HA3  GLY  14           2HA      GLY  14   5.520   6.201  -4.169
   84    H    CYS  15           H        CYS  15   2.787   4.542  -3.670
   85    HA   CYS  15           HA       CYS  15   4.218   2.399  -2.295
   86    HB2  CYS  15           1HB      CYS  15   1.761   3.973  -1.696
   87    HB3  CYS  15           2HB      CYS  15   1.797   2.301  -1.171
   88    H    THR  16           H        THR  16   3.806   0.260  -2.869
   89    HA   THR  16           HA       THR  16   2.032  -0.134  -5.146
   90    HB   THR  16           HB       THR  16   3.213  -2.508  -4.847
   91    HG1  THR  16           1HG      THR  16   4.063  -1.929  -2.722
   92   HG21  THR  16          3HG2      THR  16   3.798  -0.732  -6.623
   93   HG22  THR  16          1HG2      THR  16   4.991  -0.097  -5.465
   94   HG23  THR  16          2HG2      THR  16   5.157  -1.753  -6.097
   95    H    CYS  17           H        CYS  17   0.284  -1.561  -5.209
   96    HA   CYS  17           HA       CYS  17  -1.041  -1.789  -2.693
   97    HB2  CYS  17           1HB      CYS  17  -2.474  -1.229  -4.423
   98    HB3  CYS  17           2HB      CYS  17  -1.750  -2.362  -5.547
   99    H    SER  18           H        SER  18   0.342  -3.253  -1.489
  100    HA   SER  18           HA       SER  18   0.501  -5.930  -2.571
  101    HB2  SER  18           1HB      SER  18   1.527  -5.213   0.169
  102    HB3  SER  18           2HB      SER  18   2.181  -6.347  -0.995
  103    HG   SER  18           HG       SER  18   3.529  -4.780  -1.535
  104    H    TRP  19           H        TRP  19  -1.967  -6.040  -2.431
  105    HA   TRP  19           HA       TRP  19  -3.561  -5.554  -0.384
  106    HB2  TRP  19           1HB      TRP  19  -4.080  -6.678  -2.602
  107    HB3  TRP  19           2HB      TRP  19  -3.696  -8.200  -1.824
  108    HD1  TRP  19           HD       TRP  19  -6.531  -5.763  -2.214
  109    HE1  TRP  19           1HE      TRP  19  -8.664  -6.453  -0.823
  110    HE3  TRP  19           3HE      TRP  19  -4.217  -9.355   0.543
  111    HZ2  TRP  19           2HZ      TRP  19  -9.134  -8.381   1.228
  112    HZ3  TRP  19           3HZ      TRP  19  -5.585 -10.595   2.218
  113    HH2  TRP  19           HH       TRP  19  -7.962 -10.157   2.582
  114    HA   PRO  20           HA       PRO  20  -4.920  -6.024   0.800
  115    HB2  PRO  20           1HB      PRO  20  -5.611  -5.612   3.412
  116    HB3  PRO  20           2HB      PRO  20  -6.265  -6.917   2.442
  117    HG2  PRO  20           1HG      PRO  20  -4.224  -7.037   4.578
  118    HG3  PRO  20           2HG      PRO  20  -5.186  -8.338   3.904
  119    HD2  PRO  20           1HD      PRO  20  -2.427  -7.781   3.352
  120    HD3  PRO  20           2HD      PRO  20  -3.421  -9.008   2.594
  121    H    ILE  21           H        ILE  21  -1.958  -5.596   2.321
  122    HA   ILE  21           HA       ILE  21  -2.574  -2.834   3.006
  123    HB   ILE  21           HB       ILE  21  -0.308  -4.697   3.696
  124   HG12  ILE  21          1HG1      ILE  21  -2.599  -4.871   4.827
  125   HG13  ILE  21          2HG1      ILE  21  -1.186  -4.751   5.857
  126   HG21  ILE  21          1HG2      ILE  21   0.401  -2.757   5.216
  127   HG22  ILE  21          2HG2      ILE  21   0.807  -2.649   3.486
  128   HG23  ILE  21          3HG2      ILE  21  -0.568  -1.725   4.137
  129   HD11  ILE  21          3HD1      ILE  21  -1.884  -2.780   6.747
  130   HD12  ILE  21          1HD1      ILE  21  -2.226  -2.095   5.141
  131   HD13  ILE  21          2HD1      ILE  21  -3.447  -3.098   5.959
  132    H    CYS  22           H        CYS  22  -1.041  -1.099   2.372
  133    HA   CYS  22           HA       CYS  22   0.092  -1.661  -0.254
  134    HB2  CYS  22           1HB      CYS  22  -0.612   0.925   1.137
  135    HB3  CYS  22           2HB      CYS  22   0.296   0.859  -0.359
  136    H    LYS  23           H        LYS  23   2.303  -1.887  -0.442
  137    HA   LYS  23           HA       LYS  23   3.896  -1.029   1.871
  138    HB2  LYS  23           1HB      LYS  23   3.936  -3.461   0.161
  139    HB3  LYS  23           2HB      LYS  23   5.496  -2.811   0.621
  140    HG2  LYS  23           1HG      LYS  23   5.159  -4.061   2.521
  141    HG3  LYS  23           2HG      LYS  23   4.245  -2.658   3.037
  142    HD2  LYS  23           1HD      LYS  23   2.142  -3.660   2.396
  143    HD3  LYS  23           2HD      LYS  23   2.936  -4.925   1.480
  144    HE2  LYS  23           1HE      LYS  23   3.392  -4.619   4.477
  145    HE3  LYS  23           2HE      LYS  23   2.030  -5.528   3.851
  146    HZ1  LYS  23           2HZ      LYS  23   3.601  -6.944   2.637
  147    HZ3  LYS  23           1HZ      LYS  23   3.964  -6.961   4.224
  148    H    ARG  24           H        ARG  24   6.180  -0.345   1.307
  149    HA   ARG  24           HA       ARG  24   6.191   0.904  -1.318
  150    HB2  ARG  24           1HB      ARG  24   5.692   2.536   0.592
  151    HB3  ARG  24           2HB      ARG  24   7.282   2.184   1.236
  152    HG2  ARG  24           1HG      ARG  24   8.334   2.969  -0.882
  153    HG3  ARG  24           2HG      ARG  24   6.750   3.283  -1.566
  154    HD2  ARG  24           1HD      ARG  24   6.517   5.259  -0.428
  155    HD3  ARG  24           2HD      ARG  24   7.117   4.576   1.070
  156    HE   ARG  24           HE       ARG  24   8.642   6.138  -0.784
  157   HH11  ARG  24          2HH2      ARG  24   8.957   3.264   1.221
  158   HH12  ARG  24          1HH2      ARG  24  10.673   3.423   1.403
  159   HH21  ARG  24          2HH1      ARG  24  10.904   6.349  -0.544
  160   HH22  ARG  24          1HH1      ARG  24  11.788   5.190   0.392
  161    H    ASN  25           H        ASN  25   7.764  -0.304  -2.377
  162    HA   ASN  25           HA       ASN  25   9.704  -1.131  -2.878
  163    HB2  ASN  25           1HB      ASN  25  10.487   0.908  -0.803
  164    HB3  ASN  25           2HB      ASN  25  11.704  -0.283  -1.216
  165   HD21  ASN  25          1HD2      ASN  25  11.001   2.708  -1.796
  166   HD22  ASN  25          2HD2      ASN  25  11.381   2.904  -3.474
  167    H    GLY  26           H        GLY  26   7.903  -2.237  -0.629
  168    HA2  GLY  26           1HA      GLY  26   8.028  -4.315   0.369
  169    HA3  GLY  26           2HA      GLY  26   9.779  -4.257   0.323
  170    H    LEU  27           H        LEU  27   7.508  -1.730   1.562
  171    HA   LEU  27           HA       LEU  27   8.191  -2.412   4.285
  172    HB2  LEU  27           1HB      LEU  27   8.884   0.318   3.202
  173    HB3  LEU  27           2HB      LEU  27   9.111  -0.264   4.840
  174    HG   LEU  27           HG       LEU  27  10.526  -1.420   2.423
  175   HD11  LEU  27          1HD1      LEU  27  11.313   0.797   2.568
  176   HD12  LEU  27          2HD1      LEU  27  11.368   0.751   4.346
  177   HD13  LEU  27          3HD1      LEU  27  12.533  -0.200   3.395
  178   HD21  LEU  27          3HD2      LEU  27  11.677  -2.806   3.818
  179   HD22  LEU  27          1HD2      LEU  27  11.538  -1.711   5.214
  180   HD23  LEU  27          2HD2      LEU  27  10.145  -2.702   4.717
  181    HA   PRO  28           HA       PRO  28   4.045  -1.065   4.362
  182    HB2  PRO  28           1HB      PRO  28   3.467  -1.867   6.909
  183    HB3  PRO  28           2HB      PRO  28   3.368  -2.934   5.523
  184    HG2  PRO  28           1HG      PRO  28   5.429  -2.831   7.640
  185    HG3  PRO  28           2HG      PRO  28   5.077  -4.126   6.512
  186    HD2  PRO  28           1HD      PRO  28   7.260  -2.271   6.368
  187    HD3  PRO  28           2HD      PRO  28   6.841  -3.490   5.181
  188    H    VAL  29           H        VAL  29   5.669   1.010   4.318
  189    HA   VAL  29           HA       VAL  29   5.047   2.453   6.790
  190    HB   VAL  29           HB       VAL  29   7.404   2.281   6.135
  191   HG11  VAL  29          1HG1      VAL  29   6.423   2.698   3.529
  192   HG12  VAL  29          2HG1      VAL  29   7.386   4.143   3.918
  193   HG13  VAL  29          3HG1      VAL  29   8.120   2.526   4.035
  194   HG21  VAL  29          3HG2      VAL  29   5.933   4.755   6.579
  195   HG22  VAL  29          1HG2      VAL  29   7.479   4.206   7.270
  196   HG23  VAL  29          2HG2      VAL  29   7.452   5.041   5.698
  Start of MODEL   16
    1    H1   CYS   1           H        CYS   1   3.190   1.636   4.615
    2    HA   CYS   1           HA       CYS   1   2.851   4.295   3.467
    3    HB2  CYS   1           1HB      CYS   1   1.352   1.757   2.800
    4    HB3  CYS   1           2HB      CYS   1   1.287   3.279   1.935
    5    H    GLY   2           H        GLY   2   1.180   1.682   5.346
    6    HA2  GLY   2           1HA      GLY   2  -0.216   1.996   7.147
    7    HA3  GLY   2           2HA      GLY   2  -0.342   3.706   6.780
    8    H    GLU   3           H        GLU   3  -1.000   3.422   3.931
    9    HA   GLU   3           HA       GLU   3  -3.768   3.083   4.242
   10    HB2  GLU   3           1HB      GLU   3  -2.836   4.711   2.662
   11    HB3  GLU   3           2HB      GLU   3  -2.035   3.440   1.759
   12    HG2  GLU   3           1HG      GLU   3  -4.162   2.490   1.047
   13    HG3  GLU   3           2HG      GLU   3  -5.059   3.518   2.146
   14    H    THR   4           H        THR   4  -5.086   1.641   2.657
   15    HA   THR   4           HA       THR   4  -3.715  -0.925   2.240
   16    HB   THR   4           HB       THR   4  -6.032  -1.886   3.051
   17    HG1  THR   4           1HG      THR   4  -7.273  -0.324   4.087
   18   HG21  THR   4          3HG2      THR   4  -4.142  -2.264   4.519
   19   HG22  THR   4          1HG2      THR   4  -4.018  -0.532   4.908
   20   HG23  THR   4          2HG2      THR   4  -5.387  -1.486   5.525
   21    H    CYS   5           H        CYS   5  -4.557  -2.239   0.544
   22    HA   CYS   5           HA       CYS   5  -6.190  -0.663  -1.311
   23    HB2  CYS   5           1HB      CYS   5  -5.011  -1.516  -3.128
   24    HB3  CYS   5           2HB      CYS   5  -3.780  -1.092  -1.954
   25    H    THR   6           H        THR   6  -7.439  -2.138   0.731
   26    HA   THR   6           HA       THR   6  -7.927  -4.793   0.365
   27    HB   THR   6           HB       THR   6  -9.469  -2.411   1.397
   28    HG1  THR   6           1HG      THR   6  -8.002  -3.498   2.791
   29   HG21  THR   6          3HG2      THR   6 -11.231  -4.082   2.200
   30   HG22  THR   6          1HG2      THR   6 -11.322  -3.709   0.462
   31   HG23  THR   6          2HG2      THR   6 -10.586  -5.235   1.007
   32    H    LEU   7           H        LEU   7  -8.851  -2.133  -1.746
   33    HA   LEU   7           HA       LEU   7 -10.719  -3.847  -3.165
   34    HB2  LEU   7           1HB      LEU   7  -9.993  -1.102  -4.069
   35    HB3  LEU   7           2HB      LEU   7 -11.520  -1.956  -4.178
   36    HG   LEU   7           HG       LEU   7 -10.328  -0.706  -1.689
   37   HD11  LEU   7          1HD1      LEU   7 -12.972   0.109  -2.777
   38   HD12  LEU   7          2HD1      LEU   7 -11.713   1.067  -1.964
   39   HD13  LEU   7          3HD1      LEU   7 -11.526   0.623  -3.677
   40   HD21  LEU   7          3HD2      LEU   7 -12.190  -1.440  -0.443
   41   HD22  LEU   7          1HD2      LEU   7 -13.051  -1.996  -1.898
   42   HD23  LEU   7          2HD2      LEU   7 -11.610  -2.871  -1.327
   43    H    GLY   8           H        GLY   8  -7.467  -2.586  -3.322
   44    HA2  GLY   8           1HA      GLY   8  -5.926  -3.981  -4.550
   45    HA3  GLY   8           2HA      GLY   8  -7.066  -4.015  -5.880
   46    H    THR   9           H        THR   9  -6.805  -0.979  -4.138
   47    HA   THR   9           HA       THR   9  -4.909   0.051  -6.127
   48    HB   THR   9           HB       THR   9  -7.640   1.245  -5.412
   49    HG1  THR   9           1HG      THR   9  -7.744  -0.560  -6.887
   50   HG21  THR   9          3HG2      THR   9  -5.868   2.092  -7.720
   51   HG22  THR   9          1HG2      THR   9  -7.152   3.011  -6.900
   52   HG23  THR   9          2HG2      THR   9  -5.574   2.790  -6.108
   53    H    CYS  10           H        CYS  10  -3.859   2.064  -5.499
   54    HA   CYS  10           HA       CYS  10  -4.002   2.488  -2.608
   55    HB2  CYS  10           1HB      CYS  10  -1.531   2.149  -4.307
   56    HB3  CYS  10           2HB      CYS  10  -1.498   2.930  -2.739
   57    H    TYR  11           H        TYR  11  -3.846   4.698  -1.988
   58    HA   TYR  11           HA       TYR  11  -4.227   6.564  -4.178
   59    HB2  TYR  11           1HB      TYR  11  -4.508   6.423  -1.140
   60    HB3  TYR  11           2HB      TYR  11  -4.448   8.008  -1.885
   61    HD1  TYR  11           2HD      TYR  11  -6.074   4.942  -3.261
   62    HD2  TYR  11           1HD      TYR  11  -6.636   8.808  -1.520
   63    HE1  TYR  11           2HE      TYR  11  -8.563   4.810  -3.755
   64    HE2  TYR  11           1HE      TYR  11  -9.125   8.664  -2.020
   65    HH   TYR  11           HH       TYR  11 -10.778   7.193  -2.501
   66    H    THR  12           H        THR  12  -1.939   5.878  -1.480
   67    HA   THR  12           HA       THR  12  -0.378   8.217  -1.973
   68    HB   THR  12           HB       THR  12   0.075   5.632  -0.392
   69    HG1  THR  12           1HG      THR  12  -0.960   6.880   1.151
   70   HG21  THR  12          3HG2      THR  12   1.901   7.842  -1.012
   71   HG22  THR  12          1HG2      THR  12   1.505   7.821   0.723
   72   HG23  THR  12          2HG2      THR  12   2.210   6.379  -0.047
   73    H    GLN  13           H        GLN  13   0.709   8.562  -3.805
   74    HA   GLN  13           HA       GLN  13   1.405   6.483  -5.518
   75    HB2  GLN  13           1HB      GLN  13   1.047   8.988  -6.038
   76    HB3  GLN  13           2HB      GLN  13   2.688   9.241  -5.476
   77    HG2  GLN  13           1HG      GLN  13   3.578   8.423  -7.405
   78    HG3  GLN  13           2HG      GLN  13   2.576   6.987  -7.345
   79   HE21  GLN  13          1HE2      GLN  13   3.185   9.914  -8.871
   80   HE22  GLN  13          2HE2      GLN  13   1.773  10.041  -9.867
   81    H    GLY  14           H        GLY  14   3.403   5.439  -5.942
   82    HA2  GLY  14           1HA      GLY  14   5.714   5.167  -5.652
   83    HA3  GLY  14           2HA      GLY  14   5.650   6.091  -4.164
   84    H    CYS  15           H        CYS  15   2.968   4.417  -3.649
   85    HA   CYS  15           HA       CYS  15   4.427   2.232  -2.381
   86    HB2  CYS  15           1HB      CYS  15   1.942   3.744  -1.721
   87    HB3  CYS  15           2HB      CYS  15   2.029   2.064  -1.233
   88    H    THR  16           H        THR  16   3.768   0.045  -2.744
   89    HA   THR  16           HA       THR  16   2.092  -0.286  -5.128
   90    HB   THR  16           HB       THR  16   3.249  -2.689  -4.809
   91    HG1  THR  16           1HG      THR  16   5.190  -0.867  -3.650
   92   HG21  THR  16          3HG2      THR  16   5.254  -1.906  -6.035
   93   HG22  THR  16          1HG2      THR  16   3.811  -1.084  -6.678
   94   HG23  THR  16          2HG2      THR  16   4.904  -0.224  -5.568
   95    H    CYS  17           H        CYS  17   0.309  -1.653  -5.201
   96    HA   CYS  17           HA       CYS  17  -1.037  -1.877  -2.709
   97    HB2  CYS  17           1HB      CYS  17  -2.456  -1.359  -4.453
   98    HB3  CYS  17           2HB      CYS  17  -1.694  -2.478  -5.565
   99    H    SER  18           H        SER  18   0.296  -3.321  -1.440
  100    HA   SER  18           HA       SER  18   0.468  -6.020  -2.472
  101    HB2  SER  18           1HB      SER  18   1.480  -5.230   0.256
  102    HB3  SER  18           2HB      SER  18   2.124  -6.420  -0.859
  103    HG   SER  18           HG       SER  18   3.489  -4.907  -1.492
  104    H    TRP  19           H        TRP  19  -2.010  -6.087  -2.347
  105    HA   TRP  19           HA       TRP  19  -3.604  -5.560  -0.311
  106    HB2  TRP  19           1HB      TRP  19  -4.119  -6.712  -2.523
  107    HB3  TRP  19           2HB      TRP  19  -3.772  -8.226  -1.710
  108    HD1  TRP  19           HD       TRP  19  -6.558  -5.752  -2.188
  109    HE1  TRP  19           1HE      TRP  19  -8.717  -6.369  -0.801
  110    HE3  TRP  19           3HE      TRP  19  -4.333  -9.307   0.687
  111    HZ2  TRP  19           2HZ      TRP  19  -9.240  -8.232   1.296
  112    HZ3  TRP  19           3HZ      TRP  19  -5.739 -10.477   2.382
  113    HH2  TRP  19           HH       TRP  19  -8.113  -9.990   2.709
  114    HA   PRO  20           HA       PRO  20  -4.969  -5.995   0.876
  115    HB2  PRO  20           1HB      PRO  20  -5.656  -5.537   3.481
  116    HB3  PRO  20           2HB      PRO  20  -6.327  -6.846   2.528
  117    HG2  PRO  20           1HG      PRO  20  -4.291  -6.966   4.667
  118    HG3  PRO  20           2HG      PRO  20  -5.271  -8.262   4.011
  119    HD2  PRO  20           1HD      PRO  20  -2.503  -7.751   3.455
  120    HD3  PRO  20           2HD      PRO  20  -3.513  -8.976   2.711
  121    H    ILE  21           H        ILE  21  -2.003  -5.589   2.396
  122    HA   ILE  21           HA       ILE  21  -2.581  -2.809   3.042
  123    HB   ILE  21           HB       ILE  21  -0.365  -4.711   3.773
  124   HG12  ILE  21          1HG1      ILE  21  -2.715  -4.669   4.899
  125   HG13  ILE  21          2HG1      ILE  21  -1.272  -4.759   5.889
  126   HG21  ILE  21          1HG2      ILE  21   0.477  -2.793   5.204
  127   HG22  ILE  21          2HG2      ILE  21   0.789  -2.675   3.456
  128   HG23  ILE  21          3HG2      ILE  21  -0.522  -1.723   4.191
  129   HD11  ILE  21          3HD1      ILE  21  -3.230  -2.943   6.331
  130   HD12  ILE  21          1HD1      ILE  21  -1.522  -2.615   6.713
  131   HD13  ILE  21          2HD1      ILE  21  -2.229  -2.004   5.198
  132    H    CYS  22           H        CYS  22  -0.997  -1.111   2.402
  133    HA   CYS  22           HA       CYS  22   0.119  -1.722  -0.222
  134    HB2  CYS  22           1HB      CYS  22  -0.521   0.897   1.141
  135    HB3  CYS  22           2HB      CYS  22   0.370   0.787  -0.365
  136    H    LYS  23           H        LYS  23   2.327  -1.984  -0.412
  137    HA   LYS  23           HA       LYS  23   3.937  -1.127   1.890
  138    HB2  LYS  23           1HB      LYS  23   3.932  -3.592   0.221
  139    HB3  LYS  23           2HB      LYS  23   5.500  -2.969   0.694
  140    HG2  LYS  23           1HG      LYS  23   5.117  -4.163   2.615
  141    HG3  LYS  23           2HG      LYS  23   4.195  -2.750   3.086
  142    HD2  LYS  23           1HD      LYS  23   2.106  -3.758   2.415
  143    HD3  LYS  23           2HD      LYS  23   2.918  -5.041   1.541
  144    HE2  LYS  23           1HE      LYS  23   3.527  -4.774   4.479
  145    HE3  LYS  23           2HE      LYS  23   1.949  -5.396   4.039
  146    HZ1  LYS  23           2HZ      LYS  23   4.562  -6.618   3.625
  147    HZ3  LYS  23           1HZ      LYS  23   3.479  -6.860   2.433
  148    H    ARG  24           H        ARG  24   6.201  -0.446   1.345
  149    HA   ARG  24           HA       ARG  24   6.254   0.724  -1.319
  150    HB2  ARG  24           1HB      ARG  24   5.852   2.287   0.813
  151    HB3  ARG  24           2HB      ARG  24   7.582   2.104   1.033
  152    HG2  ARG  24           1HG      ARG  24   7.777   2.778  -1.491
  153    HG3  ARG  24           2HG      ARG  24   6.115   3.316  -1.341
  154    HD2  ARG  24           1HD      ARG  24   7.859   4.263   0.869
  155    HD3  ARG  24           2HD      ARG  24   8.364   4.838  -0.707
  156    HE   ARG  24           HE       ARG  24   5.547   5.179  -0.562
  157   HH11  ARG  24          2HH2      ARG  24   8.438   6.428   1.007
  158   HH12  ARG  24          1HH2      ARG  24   7.727   7.962   1.381
  159   HH21  ARG  24          2HH1      ARG  24   4.607   7.202  -0.068
  160   HH22  ARG  24          1HH1      ARG  24   5.533   8.406   0.766
  161    H    ASN  25           H        ASN  25   7.818  -0.506  -2.360
  162    HA   ASN  25           HA       ASN  25   9.740  -1.385  -2.837
  163    HB2  ASN  25           1HB      ASN  25  10.627   0.571  -0.687
  164    HB3  ASN  25           2HB      ASN  25  11.797  -0.555  -1.348
  165   HD21  ASN  25          1HD2      ASN  25   9.472   1.971  -2.142
  166   HD22  ASN  25          2HD2      ASN  25  10.206   2.515  -3.614
  167    H    GLY  26           H        GLY  26   7.917  -2.521  -0.695
  168    HA2  GLY  26           1HA      GLY  26   7.996  -4.538   0.388
  169    HA3  GLY  26           2HA      GLY  26   9.748  -4.527   0.326
  170    H    LEU  27           H        LEU  27   7.512  -1.965   1.572
  171    HA   LEU  27           HA       LEU  27   8.239  -2.621   4.289
  172    HB2  LEU  27           1HB      LEU  27   8.935   0.092   3.164
  173    HB3  LEU  27           2HB      LEU  27   9.175  -0.468   4.807
  174    HG   LEU  27           HG       LEU  27  10.550  -1.704   2.410
  175   HD11  LEU  27          1HD1      LEU  27  12.543  -0.387   3.634
  176   HD12  LEU  27          2HD1      LEU  27  11.591   0.300   2.296
  177   HD13  LEU  27          3HD1      LEU  27  11.200   0.730   3.979
  178   HD21  LEU  27          3HD2      LEU  27  11.816  -2.954   3.876
  179   HD22  LEU  27          1HD2      LEU  27  11.525  -1.852   5.244
  180   HD23  LEU  27          2HD2      LEU  27  10.233  -2.942   4.688
  181    HA   PRO  28           HA       PRO  28   4.100  -1.251   4.406
  182    HB2  PRO  28           1HB      PRO  28   3.543  -2.056   6.958
  183    HB3  PRO  28           2HB      PRO  28   3.421  -3.118   5.569
  184    HG2  PRO  28           1HG      PRO  28   5.506  -3.038   7.664
  185    HG3  PRO  28           2HG      PRO  28   5.131  -4.326   6.536
  186    HD2  PRO  28           1HD      PRO  28   7.327  -2.489   6.373
  187    HD3  PRO  28           2HD      PRO  28   6.885  -3.700   5.188
  188    H    VAL  29           H        VAL  29   5.734   0.813   4.348
  189    HA   VAL  29           HA       VAL  29   5.115   2.261   6.822
  190    HB   VAL  29           HB       VAL  29   7.485   2.022   6.201
  191   HG11  VAL  29          1HG1      VAL  29   6.557   2.534   3.591
  192   HG12  VAL  29          2HG1      VAL  29   7.551   3.943   4.037
  193   HG13  VAL  29          3HG1      VAL  29   8.241   2.304   4.120
  194   HG21  VAL  29          3HG2      VAL  29   7.637   4.778   5.856
  195   HG22  VAL  29          1HG2      VAL  29   6.066   4.534   6.656
  196   HG23  VAL  29          2HG2      VAL  29   7.553   3.907   7.407
  Start of MODEL   17
    1    H1   CYS   1           H        CYS   1   3.079   1.513   4.812
    2    HA   CYS   1           HA       CYS   1   2.879   4.150   3.593
    3    HB2  CYS   1           1HB      CYS   1   1.337   1.623   2.975
    4    HB3  CYS   1           2HB      CYS   1   1.234   3.137   2.100
    5    H    GLY   2           H        GLY   2   1.024   1.671   5.484
    6    HA2  GLY   2           1HA      GLY   2  -0.387   2.100   7.252
    7    HA3  GLY   2           2HA      GLY   2  -0.409   3.805   6.850
    8    H    GLU   3           H        GLU   3  -0.974   3.356   3.945
    9    HA   GLU   3           HA       GLU   3  -3.781   3.235   4.206
   10    HB2  GLU   3           1HB      GLU   3  -2.713   4.752   2.600
   11    HB3  GLU   3           2HB      GLU   3  -1.969   3.407   1.760
   12    HG2  GLU   3           1HG      GLU   3  -4.122   2.566   1.009
   13    HG3  GLU   3           2HG      GLU   3  -4.992   3.656   2.071
   14    H    THR   4           H        THR   4  -5.135   1.814   2.633
   15    HA   THR   4           HA       THR   4  -3.905  -0.845   2.373
   16    HB   THR   4           HB       THR   4  -6.329  -1.615   3.079
   17    HG1  THR   4           1HG      THR   4  -7.042   0.702   2.970
   18   HG21  THR   4          3HG2      THR   4  -4.257  -0.390   4.948
   19   HG22  THR   4          1HG2      THR   4  -5.771  -1.073   5.587
   20   HG23  THR   4          2HG2      THR   4  -4.634  -2.112   4.695
   21    H    CYS   5           H        CYS   5  -4.746  -2.180   0.687
   22    HA   CYS   5           HA       CYS   5  -6.256  -0.622  -1.283
   23    HB2  CYS   5           1HB      CYS   5  -4.962  -1.428  -3.040
   24    HB3  CYS   5           2HB      CYS   5  -3.802  -0.979  -1.806
   25    H    THR   6           H        THR   6  -7.528  -2.152   0.719
   26    HA   THR   6           HA       THR   6  -7.914  -4.819   0.315
   27    HB   THR   6           HB       THR   6  -9.564  -2.499   1.319
   28    HG1  THR   6           1HG      THR   6  -8.621  -5.138   2.197
   29   HG21  THR   6          3HG2      THR   6 -10.578  -5.352   0.864
   30   HG22  THR   6          1HG2      THR   6 -11.300  -4.232   2.045
   31   HG23  THR   6          2HG2      THR   6 -11.344  -3.843   0.308
   32    H    LEU   7           H        LEU   7  -8.858  -2.170  -1.800
   33    HA   LEU   7           HA       LEU   7 -10.625  -3.928  -3.292
   34    HB2  LEU   7           1HB      LEU   7  -9.946  -1.157  -4.155
   35    HB3  LEU   7           2HB      LEU   7 -11.443  -2.052  -4.322
   36    HG   LEU   7           HG       LEU   7 -10.372  -0.782  -1.789
   37   HD11  LEU   7          1HD1      LEU   7 -12.856   0.274  -2.258
   38   HD12  LEU   7          2HD1      LEU   7 -11.309   1.038  -2.695
   39   HD13  LEU   7          3HD1      LEU   7 -12.209   0.096  -3.908
   40   HD21  LEU   7          3HD2      LEU   7 -13.047  -2.151  -2.077
   41   HD22  LEU   7          1HD2      LEU   7 -11.597  -2.995  -1.487
   42   HD23  LEU   7          2HD2      LEU   7 -12.233  -1.591  -0.598
   43    H    GLY   8           H        GLY   8  -7.403  -2.563  -3.339
   44    HA2  GLY   8           1HA      GLY   8  -5.780  -3.890  -4.525
   45    HA3  GLY   8           2HA      GLY   8  -6.890  -3.989  -5.878
   46    H    THR   9           H        THR   9  -6.643  -0.951  -4.074
   47    HA   THR   9           HA       THR   9  -4.820   0.141  -6.088
   48    HB   THR   9           HB       THR   9  -7.498   1.417  -5.339
   49    HG1  THR   9           1HG      THR   9  -8.259   0.272  -7.124
   50   HG21  THR   9          3HG2      THR   9  -6.821   3.137  -6.680
   51   HG22  THR   9          1HG2      THR   9  -5.199   2.407  -6.716
   52   HG23  THR   9          2HG2      THR   9  -6.388   1.996  -7.975
   53    H    CYS  10           H        CYS  10  -3.722   2.076  -5.442
   54    HA   CYS  10           HA       CYS  10  -3.935   2.556  -2.561
   55    HB2  CYS  10           1HB      CYS  10  -1.430   2.207  -4.212
   56    HB3  CYS  10           2HB      CYS  10  -1.433   2.976  -2.637
   57    H    TYR  11           H        TYR  11  -3.745   4.776  -1.960
   58    HA   TYR  11           HA       TYR  11  -4.105   6.617  -4.172
   59    HB2  TYR  11           1HB      TYR  11  -4.358   6.551  -1.123
   60    HB3  TYR  11           2HB      TYR  11  -4.355   8.105  -1.933
   61    HD1  TYR  11           1HD      TYR  11  -5.888   5.030  -3.341
   62    HD2  TYR  11           2HD      TYR  11  -6.585   8.767  -1.378
   63    HE1  TYR  11           1HE      TYR  11  -8.380   4.808  -3.788
   64    HE2  TYR  11           2HE      TYR  11  -9.076   8.532  -1.831
   65    HH   TYR  11           HH       TYR  11 -10.335   5.681  -3.545
   66    H    THR  12           H        THR  12  -1.877   6.034  -1.386
   67    HA   THR  12           HA       THR  12  -0.277   8.319  -1.963
   68    HB   THR  12           HB       THR  12   0.153   5.800  -0.273
   69    HG1  THR  12           1HG      THR  12  -1.641   7.448   0.129
   70   HG21  THR  12          3HG2      THR  12   2.035   7.853  -0.981
   71   HG22  THR  12          1HG2      THR  12   1.481   8.203   0.674
   72   HG23  THR  12          2HG2      THR  12   2.206   6.622   0.294
   73    H    GLN  13           H        GLN  13   0.858   8.580  -3.778
   74    HA   GLN  13           HA       GLN  13   1.549   6.443  -5.409
   75    HB2  GLN  13           1HB      GLN  13   2.291   9.366  -5.275
   76    HB3  GLN  13           2HB      GLN  13   3.185   8.324  -6.363
   77    HG2  GLN  13           1HG      GLN  13   1.033   7.577  -7.411
   78    HG3  GLN  13           2HG      GLN  13   0.145   8.633  -6.330
   79   HE21  GLN  13          1HE2      GLN  13  -0.244   8.971  -8.927
   80   HE22  GLN  13          2HE2      GLN  13   0.505  10.411  -9.534
   81    H    GLY  14           H        GLY  14   3.591   5.421  -5.834
   82    HA2  GLY  14           1HA      GLY  14   5.857   5.054  -5.450
   83    HA3  GLY  14           2HA      GLY  14   5.785   6.015  -3.987
   84    H    CYS  15           H        CYS  15   3.051   4.430  -3.483
   85    HA   CYS  15           HA       CYS  15   4.424   2.226  -2.151
   86    HB2  CYS  15           1HB      CYS  15   2.033   3.877  -1.523
   87    HB3  CYS  15           2HB      CYS  15   1.973   2.191  -1.052
   88    H    THR  16           H        THR  16   3.977   0.110  -2.768
   89    HA   THR  16           HA       THR  16   2.181  -0.214  -5.038
   90    HB   THR  16           HB       THR  16   3.321  -2.619  -4.771
   91    HG1  THR  16           1HG      THR  16   5.259  -2.384  -3.502
   92   HG21  THR  16          3HG2      THR  16   3.911  -0.884  -6.561
   93   HG22  THR  16          1HG2      THR  16   5.089  -0.204  -5.414
   94   HG23  THR  16          2HG2      THR  16   5.289  -1.867  -6.015
   95    H    CYS  17           H        CYS  17   0.392  -1.577  -5.109
   96    HA   CYS  17           HA       CYS  17  -0.932  -1.817  -2.602
   97    HB2  CYS  17           1HB      CYS  17  -2.360  -1.250  -4.327
   98    HB3  CYS  17           2HB      CYS  17  -1.631  -2.372  -5.458
   99    H    SER  18           H        SER  18   0.441  -3.291  -1.393
  100    HA   SER  18           HA       SER  18   0.572  -5.973  -2.461
  101    HB2  SER  18           1HB      SER  18   1.575  -5.261   0.288
  102    HB3  SER  18           2HB      SER  18   2.229  -6.405  -0.868
  103    HG   SER  18           HG       SER  18   3.620  -4.840  -1.324
  104    H    TRP  19           H        TRP  19  -1.892  -6.075  -2.352
  105    HA   TRP  19           HA       TRP  19  -3.510  -5.557  -0.330
  106    HB2  TRP  19           1HB      TRP  19  -4.003  -6.697  -2.551
  107    HB3  TRP  19           2HB      TRP  19  -3.653  -8.215  -1.746
  108    HD1  TRP  19           HD       TRP  19  -6.439  -5.723  -2.195
  109    HE1  TRP  19           1HE      TRP  19  -8.608  -6.374  -0.842
  110    HE3  TRP  19           3HE      TRP  19  -4.243  -9.363   0.592
  111    HZ2  TRP  19           2HZ      TRP  19  -9.150  -8.296   1.198
  112    HZ3  TRP  19           3HZ      TRP  19  -5.662 -10.580   2.242
  113    HH2  TRP  19           HH       TRP  19  -8.036 -10.097   2.567
  114    HA   PRO  20           HA       PRO  20  -4.896  -6.023   0.833
  115    HB2  PRO  20           1HB      PRO  20  -5.631  -5.595   3.431
  116    HB3  PRO  20           2HB      PRO  20  -6.272  -6.903   2.456
  117    HG2  PRO  20           1HG      PRO  20  -4.268  -7.019   4.626
  118    HG3  PRO  20           2HG      PRO  20  -5.222  -8.320   3.943
  119    HD2  PRO  20           1HD      PRO  20  -2.452  -7.774   3.435
  120    HD3  PRO  20           2HD      PRO  20  -3.437  -9.003   2.665
  121    H    ILE  21           H        ILE  21  -1.956  -5.596   2.390
  122    HA   ILE  21           HA       ILE  21  -2.578  -2.831   3.063
  123    HB   ILE  21           HB       ILE  21  -0.249  -4.621   3.760
  124   HG12  ILE  21          1HG1      ILE  21  -2.406  -5.215   4.826
  125   HG13  ILE  21          2HG1      ILE  21  -1.183  -4.702   5.972
  126   HG21  ILE  21          1HG2      ILE  21   0.482  -2.297   3.580
  127   HG22  ILE  21          2HG2      ILE  21  -0.834  -1.787   4.663
  128   HG23  ILE  21          3HG2      ILE  21   0.466  -2.838   5.275
  129   HD11  ILE  21          3HD1      ILE  21  -2.689  -2.387   5.038
  130   HD12  ILE  21          1HD1      ILE  21  -3.791  -3.636   5.667
  131   HD13  ILE  21          2HD1      ILE  21  -2.487  -2.999   6.698
  132    H    CYS  22           H        CYS  22  -1.011  -1.106   2.464
  133    HA   CYS  22           HA       CYS  22   0.157  -1.672  -0.146
  134    HB2  CYS  22           1HB      CYS  22  -0.515   0.920   1.252
  135    HB3  CYS  22           2HB      CYS  22   0.402   0.841  -0.240
  136    H    LYS  23           H        LYS  23   2.377  -1.859  -0.340
  137    HA   LYS  23           HA       LYS  23   3.948  -1.059   2.010
  138    HB2  LYS  23           1HB      LYS  23   3.990  -3.490   0.287
  139    HB3  LYS  23           2HB      LYS  23   5.542  -2.868   0.814
  140    HG2  LYS  23           1HG      LYS  23   4.892  -4.379   2.539
  141    HG3  LYS  23           2HG      LYS  23   4.557  -2.792   3.201
  142    HD2  LYS  23           1HD      LYS  23   2.236  -3.041   3.023
  143    HD3  LYS  23           2HD      LYS  23   2.346  -4.143   1.665
  144    HE2  LYS  23           1HE      LYS  23   3.345  -4.950   4.424
  145    HE3  LYS  23           2HE      LYS  23   1.657  -5.122   3.988
  146    HZ1  LYS  23           2HZ      LYS  23   3.515  -6.980   3.456
  147    HZ3  LYS  23           1HZ      LYS  23   3.519  -6.187   2.034
  148    H    ARG  24           H        ARG  24   6.197  -0.324   1.521
  149    HA   ARG  24           HA       ARG  24   6.263   0.911  -1.115
  150    HB2  ARG  24           1HB      ARG  24   5.889   2.392   1.081
  151    HB3  ARG  24           2HB      ARG  24   7.619   2.192   1.275
  152    HG2  ARG  24           1HG      ARG  24   7.764   2.947  -1.244
  153    HG3  ARG  24           2HG      ARG  24   6.128   3.528  -1.009
  154    HD2  ARG  24           1HD      ARG  24   7.275   4.601   1.218
  155    HD3  ARG  24           2HD      ARG  24   8.692   4.537   0.188
  156    HE   ARG  24           HE       ARG  24   6.487   6.368  -0.080
  157   HH11  ARG  24          2HH2      ARG  24   8.730   4.474  -2.021
  158   HH12  ARG  24          1HH2      ARG  24   8.655   5.543  -3.381
  159   HH21  ARG  24          2HH1      ARG  24   6.388   7.779  -1.874
  160   HH22  ARG  24          1HH1      ARG  24   7.315   7.437  -3.298
  161    H    ASN  25           H        ASN  25   7.818  -0.269  -2.219
  162    HA   ASN  25           HA       ASN  25   9.736  -1.131  -2.746
  163    HB2  ASN  25           1HB      ASN  25  10.609   0.731  -0.519
  164    HB3  ASN  25           2HB      ASN  25  11.782  -0.411  -1.144
  165   HD21  ASN  25          1HD2      ASN  25   9.805   2.366  -1.800
  166   HD22  ASN  25          2HD2      ASN  25  10.523   2.846  -3.302
  167    H    GLY  26           H        GLY  26   7.894  -2.306  -0.591
  168    HA2  GLY  26           1HA      GLY  26   7.953  -4.411   0.342
  169    HA3  GLY  26           2HA      GLY  26   9.704  -4.408   0.293
  170    H    LEU  27           H        LEU  27   7.482  -1.896   1.656
  171    HA   LEU  27           HA       LEU  27   8.217  -2.694   4.340
  172    HB2  LEU  27           1HB      LEU  27   8.856   0.077   3.323
  173    HB3  LEU  27           2HB      LEU  27   9.078  -0.521   4.955
  174    HG   LEU  27           HG       LEU  27  10.508  -1.740   2.587
  175   HD11  LEU  27          1HD1      LEU  27  10.871   0.888   3.585
  176   HD12  LEU  27          2HD1      LEU  27  12.252  -0.088   4.143
  177   HD13  LEU  27          3HD1      LEU  27  11.867  -0.001   2.408
  178   HD21  LEU  27          3HD2      LEU  27  12.018  -1.890   4.968
  179   HD22  LEU  27          1HD2      LEU  27  10.351  -2.351   5.390
  180   HD23  LEU  27          2HD2      LEU  27  11.210  -3.211   4.089
  181    HA   PRO  28           HA       PRO  28   4.052  -1.435   4.572
  182    HB2  PRO  28           1HB      PRO  28   3.559  -2.325   7.109
  183    HB3  PRO  28           2HB      PRO  28   3.446  -3.353   5.695
  184    HG2  PRO  28           1HG      PRO  28   5.560  -3.266   7.759
  185    HG3  PRO  28           2HG      PRO  28   5.207  -4.534   6.602
  186    HD2  PRO  28           1HD      PRO  28   7.345  -2.627   6.458
  187    HD3  PRO  28           2HD      PRO  28   6.920  -3.820   5.247
  188    H    VAL  29           H        VAL  29   5.639   0.673   4.555
  189    HA   VAL  29           HA       VAL  29   4.922   2.052   7.047
  190    HB   VAL  29           HB       VAL  29   7.338   1.786   6.527
  191   HG11  VAL  29          1HG1      VAL  29   6.533   2.533   3.924
  192   HG12  VAL  29          2HG1      VAL  29   7.540   3.868   4.535
  193   HG13  VAL  29          3HG1      VAL  29   8.184   2.208   4.507
  194   HG21  VAL  29          3HG2      VAL  29   5.909   4.269   7.105
  195   HG22  VAL  29          1HG2      VAL  29   7.349   3.570   7.883
  196   HG23  VAL  29          2HG2      VAL  29   7.522   4.557   6.412
  Start of MODEL   18
    1    H1   CYS   1           H        CYS   1   3.338   1.695   4.544
    2    HA   CYS   1           HA       CYS   1   3.024   4.349   3.385
    3    HB2  CYS   1           1HB      CYS   1   1.459   1.842   2.754
    4    HB3  CYS   1           2HB      CYS   1   1.447   3.353   1.866
    5    H    GLY   2           H        GLY   2   1.285   1.765   5.251
    6    HA2  GLY   2           1HA      GLY   2  -0.083   2.109   7.072
    7    HA3  GLY   2           2HA      GLY   2  -0.164   3.823   6.716
    8    H    GLU   3           H        GLU   3  -0.803   3.456   3.823
    9    HA   GLU   3           HA       GLU   3  -3.591   3.266   4.145
   10    HB2  GLU   3           1HB      GLU   3  -2.595   4.807   2.520
   11    HB3  GLU   3           2HB      GLU   3  -1.835   3.482   1.662
   12    HG2  GLU   3           1HG      GLU   3  -3.996   2.584   0.969
   13    HG3  GLU   3           2HG      GLU   3  -4.858   3.688   2.022
   14    H    THR   4           H        THR   4  -4.969   1.836   2.605
   15    HA   THR   4           HA       THR   4  -3.708  -0.796   2.260
   16    HB   THR   4           HB       THR   4  -6.063  -1.633   3.104
   17    HG1  THR   4           1HG      THR   4  -6.899   0.613   3.090
   18   HG21  THR   4          3HG2      THR   4  -3.665  -1.307   4.449
   19   HG22  THR   4          1HG2      THR   4  -4.749  -0.277   5.414
   20   HG23  THR   4          2HG2      THR   4  -5.129  -2.001   5.185
   21    H    CYS   5           H        CYS   5  -4.613  -2.122   0.604
   22    HA   CYS   5           HA       CYS   5  -6.245  -0.556  -1.261
   23    HB2  CYS   5           1HB      CYS   5  -5.078  -1.423  -3.093
   24    HB3  CYS   5           2HB      CYS   5  -3.851  -0.920  -1.947
   25    H    THR   6           H        THR   6  -7.507  -2.000   0.751
   26    HA   THR   6           HA       THR   6  -7.936  -4.674   0.451
   27    HB   THR   6           HB       THR   6  -9.542  -2.296   1.387
   28    HG1  THR   6           1HG      THR   6  -9.300  -3.672   3.315
   29   HG21  THR   6          3HG2      THR   6 -11.294  -3.969   2.196
   30   HG22  THR   6          1HG2      THR   6 -11.349  -3.657   0.444
   31   HG23  THR   6          2HG2      THR   6 -10.599  -5.150   1.059
   32    H    LEU   7           H        LEU   7  -8.823  -2.106  -1.770
   33    HA   LEU   7           HA       LEU   7 -10.645  -3.889  -3.172
   34    HB2  LEU   7           1HB      LEU   7  -9.951  -1.162  -4.150
   35    HB3  LEU   7           2HB      LEU   7 -11.462  -2.044  -4.249
   36    HG   LEU   7           HG       LEU   7 -10.323  -0.700  -1.784
   37   HD11  LEU   7          1HD1      LEU   7 -11.668   0.431  -3.915
   38   HD12  LEU   7          2HD1      LEU   7 -12.960   0.136  -2.727
   39   HD13  LEU   7          3HD1      LEU   7 -11.537   1.105  -2.273
   40   HD21  LEU   7          3HD2      LEU   7 -12.184  -1.419  -0.541
   41   HD22  LEU   7          1HD2      LEU   7 -13.040  -1.999  -1.991
   42   HD23  LEU   7          2HD2      LEU   7 -11.606  -2.869  -1.395
   43    H    GLY   8           H        GLY   8  -7.405  -2.586  -3.285
   44    HA2  GLY   8           1HA      GLY   8  -5.823  -3.985  -4.446
   45    HA3  GLY   8           2HA      GLY   8  -6.930  -4.065  -5.802
   46    H    THR   9           H        THR   9  -6.845  -0.965  -4.214
   47    HA   THR   9           HA       THR   9  -4.896   0.027  -6.182
   48    HB   THR   9           HB       THR   9  -7.565   1.337  -5.452
   49    HG1  THR   9           1HG      THR   9  -6.633  -0.067  -7.852
   50   HG21  THR   9          3HG2      THR   9  -6.643   2.067  -8.034
   51   HG22  THR   9          1HG2      THR   9  -6.667   3.108  -6.591
   52   HG23  THR   9          2HG2      THR   9  -5.206   2.173  -6.988
   53    H    CYS  10           H        CYS  10  -3.758   1.955  -5.581
   54    HA   CYS  10           HA       CYS  10  -3.930   2.476  -2.703
   55    HB2  CYS  10           1HB      CYS  10  -1.458   2.108  -4.399
   56    HB3  CYS  10           2HB      CYS  10  -1.430   2.891  -2.831
   57    H    TYR  11           H        TYR  11  -3.711   4.701  -2.123
   58    HA   TYR  11           HA       TYR  11  -4.122   6.525  -4.341
   59    HB2  TYR  11           1HB      TYR  11  -4.296   6.485  -1.286
   60    HB3  TYR  11           2HB      TYR  11  -4.308   8.032  -2.109
   61    HD1  TYR  11           2HD      TYR  11  -5.901   4.895  -3.336
   62    HD2  TYR  11           1HD      TYR  11  -6.509   8.765  -1.615
   63    HE1  TYR  11           2HE      TYR  11  -8.405   4.679  -3.716
   64    HE2  TYR  11           1HE      TYR  11  -9.011   8.535  -2.000
   65    HH   TYR  11           HH       TYR  11 -10.532   7.373  -3.291
   66    H    THR  12           H        THR  12  -1.810   5.929  -1.631
   67    HA   THR  12           HA       THR  12  -0.223   8.213  -2.249
   68    HB   THR  12           HB       THR  12   0.224   5.692  -0.568
   69    HG1  THR  12           1HG      THR  12  -0.304   8.509   0.052
   70   HG21  THR  12          3HG2      THR  12   2.347   6.443  -0.189
   71   HG22  THR  12          1HG2      THR  12   2.093   7.785  -1.330
   72   HG23  THR  12          2HG2      THR  12   1.668   7.984   0.387
   73    H    GLN  13           H        GLN  13   0.843   8.468  -4.110
   74    HA   GLN  13           HA       GLN  13   1.499   6.304  -5.733
   75    HB2  GLN  13           1HB      GLN  13   2.101   9.251  -5.704
   76    HB3  GLN  13           2HB      GLN  13   3.071   8.238  -6.755
   77    HG2  GLN  13           1HG      GLN  13   1.361   8.521  -8.250
   78    HG3  GLN  13           2HG      GLN  13   0.565   7.263  -7.326
   79   HE21  GLN  13          1HE2      GLN  13   0.854  10.693  -7.903
   80   HE22  GLN  13          2HE2      GLN  13  -0.624  11.198  -7.152
   81    H    GLY  14           H        GLY  14   3.455   5.185  -6.088
   82    HA2  GLY  14           1HA      GLY  14   5.785   4.938  -5.832
   83    HA3  GLY  14           2HA      GLY  14   5.738   5.924  -4.384
   84    H    CYS  15           H        CYS  15   3.052   4.283  -3.781
   85    HA   CYS  15           HA       CYS  15   4.513   2.139  -2.445
   86    HB2  CYS  15           1HB      CYS  15   2.089   3.733  -1.784
   87    HB3  CYS  15           2HB      CYS  15   2.109   2.060  -1.264
   88    H    THR  16           H        THR  16   4.018  -0.021  -2.914
   89    HA   THR  16           HA       THR  16   2.247  -0.433  -5.189
   90    HB   THR  16           HB       THR  16   3.355  -2.834  -4.795
   91    HG1  THR  16           1HG      THR  16   5.303  -2.541  -3.534
   92   HG21  THR  16          3HG2      THR  16   5.300  -2.192  -6.091
   93   HG22  THR  16          1HG2      THR  16   3.982  -1.126  -6.635
   94   HG23  THR  16          2HG2      THR  16   5.213  -0.514  -5.505
   95    H    CYS  17           H        CYS  17   0.430  -1.747  -5.216
   96    HA   CYS  17           HA       CYS  17  -0.890  -1.895  -2.690
   97    HB2  CYS  17           1HB      CYS  17  -2.308  -1.284  -4.416
   98    HB3  CYS  17           2HB      CYS  17  -1.641  -2.456  -5.535
   99    H    SER  18           H        SER  18   0.430  -3.410  -1.481
  100    HA   SER  18           HA       SER  18   0.438  -6.104  -2.537
  101    HB2  SER  18           1HB      SER  18   2.528  -5.207  -1.529
  102    HB3  SER  18           2HB      SER  18   1.695  -4.944  -0.010
  103    HG   SER  18           HG       SER  18   2.747  -6.921   0.191
  104    H    TRP  19           H        TRP  19  -2.016  -6.125  -2.349
  105    HA   TRP  19           HA       TRP  19  -3.557  -5.518  -0.295
  106    HB2  TRP  19           1HB      TRP  19  -4.162  -6.674  -2.470
  107    HB3  TRP  19           2HB      TRP  19  -3.815  -8.193  -1.666
  108    HD1  TRP  19           HD       TRP  19  -6.578  -5.683  -2.074
  109    HE1  TRP  19           1HE      TRP  19  -8.704  -6.262  -0.623
  110    HE3  TRP  19           3HE      TRP  19  -4.322  -9.254   0.757
  111    HZ2  TRP  19           2HZ      TRP  19  -9.193  -8.108   1.499
  112    HZ3  TRP  19           3HZ      TRP  19  -5.695 -10.396   2.497
  113    HH2  TRP  19           HH       TRP  19  -8.051  -9.874   2.889
  114    HA   PRO  20           HA       PRO  20  -4.920  -5.909   0.917
  115    HB2  PRO  20           1HB      PRO  20  -5.568  -5.409   3.525
  116    HB3  PRO  20           2HB      PRO  20  -6.280  -6.711   2.593
  117    HG2  PRO  20           1HG      PRO  20  -4.222  -6.858   4.710
  118    HG3  PRO  20           2HG      PRO  20  -5.240  -8.136   4.078
  119    HD2  PRO  20           1HD      PRO  20  -2.468  -7.697   3.485
  120    HD3  PRO  20           2HD      PRO  20  -3.514  -8.904   2.766
  121    H    ILE  21           H        ILE  21  -1.926  -5.556   2.386
  122    HA   ILE  21           HA       ILE  21  -2.438  -2.759   3.023
  123    HB   ILE  21           HB       ILE  21  -0.146  -4.606   3.700
  124   HG12  ILE  21          1HG1      ILE  21  -2.178  -5.231   4.858
  125   HG13  ILE  21          2HG1      ILE  21  -1.049  -4.503   5.984
  126   HG21  ILE  21          1HG2      ILE  21   0.351  -2.683   5.358
  127   HG22  ILE  21          2HG2      ILE  21   0.863  -2.515   3.663
  128   HG23  ILE  21          3HG2      ILE  21  -0.601  -1.680   4.237
  129   HD11  ILE  21          3HD1      ILE  21  -3.553  -3.270   4.782
  130   HD12  ILE  21          1HD1      ILE  21  -3.142  -3.490   6.500
  131   HD13  ILE  21          2HD1      ILE  21  -2.289  -2.264   5.530
  132    H    CYS  22           H        CYS  22  -0.884  -1.087   2.326
  133    HA   CYS  22           HA       CYS  22   0.275  -1.769  -0.262
  134    HB2  CYS  22           1HB      CYS  22  -0.394   0.892   1.005
  135    HB3  CYS  22           2HB      CYS  22   0.502   0.730  -0.492
  136    H    LYS  23           H        LYS  23   2.506  -1.881  -0.479
  137    HA   LYS  23           HA       LYS  23   4.062  -1.028   1.863
  138    HB2  LYS  23           1HB      LYS  23   4.194  -3.453   0.120
  139    HB3  LYS  23           2HB      LYS  23   5.704  -2.802   0.724
  140    HG2  LYS  23           1HG      LYS  23   5.147  -4.211   2.492
  141    HG3  LYS  23           2HG      LYS  23   4.405  -2.726   3.051
  142    HD2  LYS  23           1HD      LYS  23   2.216  -3.448   2.083
  143    HD3  LYS  23           2HD      LYS  23   2.955  -4.928   1.504
  144    HE2  LYS  23           1HE      LYS  23   3.589  -4.665   4.311
  145    HE3  LYS  23           2HE      LYS  23   1.870  -4.382   4.121
  146    HZ1  LYS  23           2HZ      LYS  23   3.392  -6.806   3.445
  147    HZ3  LYS  23           1HZ      LYS  23   2.016  -6.504   2.629
  148    H    ARG  24           H        ARG  24   6.402  -0.434   1.265
  149    HA   ARG  24           HA       ARG  24   6.415   0.832  -1.348
  150    HB2  ARG  24           1HB      ARG  24   5.980   2.358   0.808
  151    HB3  ARG  24           2HB      ARG  24   7.714   2.209   1.019
  152    HG2  ARG  24           1HG      ARG  24   7.887   2.919  -1.494
  153    HG3  ARG  24           2HG      ARG  24   6.215   3.416  -1.336
  154    HD2  ARG  24           1HD      ARG  24   7.963   4.374   0.874
  155    HD3  ARG  24           2HD      ARG  24   8.410   4.996  -0.703
  156    HE   ARG  24           HE       ARG  24   6.361   6.175  -0.824
  157   HH11  ARG  24          2HH2      ARG  24   6.383   4.020   1.958
  158   HH12  ARG  24          1HH2      ARG  24   4.967   4.717   2.670
  159   HH21  ARG  24          2HH1      ARG  24   4.493   7.096   0.115
  160   HH22  ARG  24          1HH1      ARG  24   3.884   6.479   1.615
  161    H    ASN  25           H        ASN  25   7.945  -0.515  -2.333
  162    HA   ASN  25           HA       ASN  25   9.910  -1.292  -2.836
  163    HB2  ASN  25           1HB      ASN  25  11.051   0.249  -0.447
  164    HB3  ASN  25           2HB      ASN  25  11.972  -0.385  -1.797
  165   HD21  ASN  25          1HD2      ASN  25  10.344   2.247  -0.535
  166   HD22  ASN  25          2HD2      ASN  25  10.239   3.255  -1.939
  167    H    GLY  26           H        GLY  26   8.062  -2.467  -0.720
  168    HA2  GLY  26           1HA      GLY  26   8.140  -4.517   0.307
  169    HA3  GLY  26           2HA      GLY  26   9.892  -4.492   0.273
  170    H    LEU  27           H        LEU  27   7.677  -1.923   1.520
  171    HA   LEU  27           HA       LEU  27   8.314  -2.654   4.243
  172    HB2  LEU  27           1HB      LEU  27   9.100   0.062   3.186
  173    HB3  LEU  27           2HB      LEU  27   9.278  -0.527   4.827
  174    HG   LEU  27           HG       LEU  27  10.693  -1.771   2.456
  175   HD11  LEU  27          1HD1      LEU  27  11.694   0.367   4.358
  176   HD12  LEU  27          2HD1      LEU  27  12.702  -0.538   3.202
  177   HD13  LEU  27          3HD1      LEU  27  11.411   0.533   2.608
  178   HD21  LEU  27          3HD2      LEU  27  10.296  -3.020   4.708
  179   HD22  LEU  27          1HD2      LEU  27  11.909  -3.040   3.956
  180   HD23  LEU  27          2HD2      LEU  27  11.577  -1.946   5.321
  181    HA   PRO  28           HA       PRO  28   4.210  -1.193   4.308
  182    HB2  PRO  28           1HB      PRO  28   3.598  -1.980   6.854
  183    HB3  PRO  28           2HB      PRO  28   3.479  -3.044   5.467
  184    HG2  PRO  28           1HG      PRO  28   5.532  -2.994   7.593
  185    HG3  PRO  28           2HG      PRO  28   5.152  -4.279   6.464
  186    HD2  PRO  28           1HD      PRO  28   7.383  -2.481   6.330
  187    HD3  PRO  28           2HD      PRO  28   6.938  -3.689   5.141
  188    H    VAL  29           H        VAL  29   5.895   0.836   4.277
  189    HA   VAL  29           HA       VAL  29   5.279   2.300   6.740
  190    HB   VAL  29           HB       VAL  29   7.645   2.034   6.106
  191   HG11  VAL  29          1HG1      VAL  29   8.380   2.292   4.016
  192   HG12  VAL  29          2HG1      VAL  29   6.700   2.580   3.501
  193   HG13  VAL  29          3HG1      VAL  29   7.741   3.953   3.949
  194   HG21  VAL  29          3HG2      VAL  29   7.847   4.779   5.774
  195   HG22  VAL  29          1HG2      VAL  29   6.257   4.576   6.545
  196   HG23  VAL  29          2HG2      VAL  29   7.714   3.916   7.325
  Start of MODEL   19
    1    H1   CYS   1           H        CYS   1   3.274   1.661   4.620
    2    HA   CYS   1           HA       CYS   1   2.845   4.338   3.552
    3    HB2  CYS   1           1HB      CYS   1   1.372   1.793   2.858
    4    HB3  CYS   1           2HB      CYS   1   1.274   3.334   2.029
    5    H    GLY   2           H        GLY   2   1.208   1.618   5.320
    6    HA2  GLY   2           1HA      GLY   2  -0.133   1.846   7.183
    7    HA3  GLY   2           2HA      GLY   2  -0.280   3.568   6.895
    8    H    GLU   3           H        GLU   3  -0.975   3.359   4.028
    9    HA   GLU   3           HA       GLU   3  -3.739   3.014   4.378
   10    HB2  GLU   3           1HB      GLU   3  -2.859   4.689   2.830
   11    HB3  GLU   3           2HB      GLU   3  -2.036   3.460   1.891
   12    HG2  GLU   3           1HG      GLU   3  -4.155   2.481   1.170
   13    HG3  GLU   3           2HG      GLU   3  -5.062   3.485   2.285
   14    H    THR   4           H        THR   4  -5.088   1.612   2.791
   15    HA   THR   4           HA       THR   4  -3.720  -0.934   2.263
   16    HB   THR   4           HB       THR   4  -6.020  -1.923   3.104
   17    HG1  THR   4           1HG      THR   4  -7.226  -0.391   4.212
   18   HG21  THR   4          3HG2      THR   4  -3.849  -0.713   4.859
   19   HG22  THR   4          1HG2      THR   4  -5.272  -1.483   5.599
   20   HG23  THR   4          2HG2      THR   4  -4.194  -2.431   4.548
   21    H    CYS   5           H        CYS   5  -4.608  -2.204   0.553
   22    HA   CYS   5           HA       CYS   5  -6.308  -0.585  -1.203
   23    HB2  CYS   5           1HB      CYS   5  -5.187  -1.425  -3.092
   24    HB3  CYS   5           2HB      CYS   5  -3.948  -0.900  -1.970
   25    H    THR   6           H        THR   6  -7.567  -2.076   0.754
   26    HA   THR   6           HA       THR   6  -8.001  -4.741   0.393
   27    HB   THR   6           HB       THR   6  -9.600  -2.382   1.386
   28    HG1  THR   6           1HG      THR   6  -8.678  -5.021   2.283
   29   HG21  THR   6          3HG2      THR   6 -11.413  -3.713   0.414
   30   HG22  THR   6          1HG2      THR   6 -10.667  -5.223   0.988
   31   HG23  THR   6          2HG2      THR   6 -11.355  -4.071   2.157
   32    H    LEU   7           H        LEU   7  -8.910  -2.112  -1.756
   33    HA   LEU   7           HA       LEU   7 -10.731  -3.860  -3.198
   34    HB2  LEU   7           1HB      LEU   7 -10.025  -1.113  -4.114
   35    HB3  LEU   7           2HB      LEU   7 -11.539  -1.986  -4.236
   36    HG   LEU   7           HG       LEU   7 -10.397  -0.702  -1.740
   37   HD11  LEU   7          1HD1      LEU   7 -12.570   0.072  -3.672
   38   HD12  LEU   7          2HD1      LEU   7 -12.597   0.631  -1.983
   39   HD13  LEU   7          3HD1      LEU   7 -11.221   1.044  -3.034
   40   HD21  LEU   7          3HD2      LEU   7 -12.251  -1.452  -0.509
   41   HD22  LEU   7          1HD2      LEU   7 -13.118  -1.988  -1.968
   42   HD23  LEU   7          2HD2      LEU   7 -11.686  -2.883  -1.405
   43    H    GLY   8           H        GLY   8  -7.488  -2.552  -3.300
   44    HA2  GLY   8           1HA      GLY   8  -5.925  -3.958  -4.503
   45    HA3  GLY   8           2HA      GLY   8  -7.034  -3.965  -5.859
   46    H    THR   9           H        THR   9  -6.994  -0.919  -4.219
   47    HA   THR   9           HA       THR   9  -4.991   0.119  -6.110
   48    HB   THR   9           HB       THR   9  -7.748   1.256  -5.405
   49    HG1  THR   9           1HG      THR   9  -6.413   0.242  -7.817
   50   HG21  THR   9          3HG2      THR   9  -6.414   3.190  -5.852
   51   HG22  THR   9          1HG2      THR   9  -5.398   2.319  -7.026
   52   HG23  THR   9          2HG2      THR   9  -7.070   2.761  -7.449
   53    H    CYS  10           H        CYS  10  -3.980   2.160  -5.452
   54    HA   CYS  10           HA       CYS  10  -4.104   2.506  -2.549
   55    HB2  CYS  10           1HB      CYS  10  -1.633   2.304  -4.273
   56    HB3  CYS  10           2HB      CYS  10  -1.623   2.982  -2.658
   57    H    TYR  11           H        TYR  11  -3.945   4.706  -1.868
   58    HA   TYR  11           HA       TYR  11  -4.421   6.619  -3.996
   59    HB2  TYR  11           1HB      TYR  11  -4.556   6.448  -0.942
   60    HB3  TYR  11           2HB      TYR  11  -4.643   8.022  -1.709
   61    HD1  TYR  11           1HD      TYR  11  -6.147   4.757  -2.772
   62    HD2  TYR  11           2HD      TYR  11  -6.841   8.754  -1.413
   63    HE1  TYR  11           1HE      TYR  11  -8.645   4.451  -3.127
   64    HE2  TYR  11           2HE      TYR  11  -9.338   8.434  -1.772
   65    HH   TYR  11           HH       TYR  11 -10.605   6.081  -3.618
   66    H    THR  12           H        THR  12  -2.033   5.889  -1.401
   67    HA   THR  12           HA       THR  12  -0.518   8.266  -1.924
   68    HB   THR  12           HB       THR  12   0.011   5.712  -0.316
   69    HG1  THR  12           1HG      THR  12  -1.759   7.095   0.400
   70   HG21  THR  12          3HG2      THR  12   2.098   6.544   0.093
   71   HG22  THR  12          1HG2      THR  12   1.783   7.916  -0.996
   72   HG23  THR  12          2HG2      THR  12   1.345   8.029   0.725
   73    H    GLN  13           H        GLN  13   0.533   8.588  -3.783
   74    HA   GLN  13           HA       GLN  13   1.222   6.488  -5.469
   75    HB2  GLN  13           1HB      GLN  13   0.848   8.995  -6.007
   76    HB3  GLN  13           2HB      GLN  13   2.504   9.245  -5.494
   77    HG2  GLN  13           1HG      GLN  13   2.375   6.969  -7.313
   78    HG3  GLN  13           2HG      GLN  13   1.595   8.356  -8.048
   79   HE21  GLN  13          1HE2      GLN  13   4.352   6.799  -8.027
   80   HE22  GLN  13          2HE2      GLN  13   5.521   8.065  -8.199
   81    H    GLY  14           H        GLY  14   3.240   5.481  -5.934
   82    HA2  GLY  14           1HA      GLY  14   5.547   5.212  -5.663
   83    HA3  GLY  14           2HA      GLY  14   5.501   6.161  -4.190
   84    H    CYS  15           H        CYS  15   2.832   4.464  -3.630
   85    HA   CYS  15           HA       CYS  15   4.327   2.317  -2.335
   86    HB2  CYS  15           1HB      CYS  15   1.835   3.818  -1.673
   87    HB3  CYS  15           2HB      CYS  15   1.945   2.147  -1.156
   88    H    THR  16           H        THR  16   3.872   0.156  -2.846
   89    HA   THR  16           HA       THR  16   2.143  -0.242  -5.155
   90    HB   THR  16           HB       THR  16   3.284  -2.632  -4.788
   91    HG1  THR  16           1HG      THR  16   5.414  -2.033  -3.663
   92   HG21  THR  16          3HG2      THR  16   3.911  -0.880  -6.585
   93   HG22  THR  16          1HG2      THR  16   5.115  -0.270  -5.424
   94   HG23  THR  16          2HG2      THR  16   5.237  -1.935  -6.041
   95    H    CYS  17           H        CYS  17   0.352  -1.595  -5.233
   96    HA   CYS  17           HA       CYS  17  -0.993  -1.822  -2.722
   97    HB2  CYS  17           1HB      CYS  17  -2.398  -1.162  -4.444
   98    HB3  CYS  17           2HB      CYS  17  -1.719  -2.303  -5.589
   99    H    SER  18           H        SER  18   0.329  -3.365  -1.553
  100    HA   SER  18           HA       SER  18   0.344  -6.026  -2.698
  101    HB2  SER  18           1HB      SER  18   2.435  -5.076  -1.658
  102    HB3  SER  18           2HB      SER  18   1.610  -5.013  -0.114
  103    HG   SER  18           HG       SER  18   1.514  -7.257  -0.022
  104    H    TRP  19           H        TRP  19  -2.095  -6.093  -2.479
  105    HA   TRP  19           HA       TRP  19  -3.626  -5.537  -0.405
  106    HB2  TRP  19           1HB      TRP  19  -4.222  -6.686  -2.592
  107    HB3  TRP  19           2HB      TRP  19  -3.863  -8.204  -1.792
  108    HD1  TRP  19           HD       TRP  19  -6.638  -5.696  -2.170
  109    HE1  TRP  19           1HE      TRP  19  -8.759  -6.301  -0.722
  110    HE3  TRP  19           3HE      TRP  19  -4.365  -9.299   0.605
  111    HZ2  TRP  19           2HZ      TRP  19  -9.237  -8.177   1.376
  112    HZ3  TRP  19           3HZ      TRP  19  -5.730 -10.470   2.332
  113    HH2  TRP  19           HH       TRP  19  -8.085  -9.959   2.738
  114    HA   PRO  20           HA       PRO  20  -4.973  -5.963   0.814
  115    HB2  PRO  20           1HB      PRO  20  -5.603  -5.499   3.433
  116    HB3  PRO  20           2HB      PRO  20  -6.304  -6.803   2.495
  117    HG2  PRO  20           1HG      PRO  20  -4.224  -6.938   4.591
  118    HG3  PRO  20           2HG      PRO  20  -5.228  -8.226   3.956
  119    HD2  PRO  20           1HD      PRO  20  -2.469  -7.738   3.341
  120    HD3  PRO  20           2HD      PRO  20  -3.504  -8.954   2.619
  121    H    ILE  21           H        ILE  21  -1.975  -5.579   2.281
  122    HA   ILE  21           HA       ILE  21  -2.527  -2.787   2.918
  123    HB   ILE  21           HB       ILE  21  -0.330  -4.704   3.675
  124   HG12  ILE  21          1HG1      ILE  21  -2.716  -4.609   4.771
  125   HG13  ILE  21          2HG1      ILE  21  -1.279  -4.795   5.756
  126   HG21  ILE  21          1HG2      ILE  21   0.681  -2.518   3.253
  127   HG22  ILE  21          2HG2      ILE  21  -0.511  -1.749   4.327
  128   HG23  ILE  21          3HG2      ILE  21   0.671  -2.903   4.991
  129   HD11  ILE  21          3HD1      ILE  21  -1.322  -2.549   6.494
  130   HD12  ILE  21          1HD1      ILE  21  -2.328  -2.020   5.124
  131   HD13  ILE  21          2HD1      ILE  21  -3.048  -2.983   6.436
  132    H    CYS  22           H        CYS  22  -0.945  -1.110   2.256
  133    HA   CYS  22           HA       CYS  22   0.222  -1.778  -0.333
  134    HB2  CYS  22           1HB      CYS  22  -0.383   0.901   0.934
  135    HB3  CYS  22           2HB      CYS  22   0.419   0.689  -0.609
  136    H    LYS  23           H        LYS  23   2.449  -1.930  -0.521
  137    HA   LYS  23           HA       LYS  23   3.999  -1.028   1.808
  138    HB2  LYS  23           1HB      LYS  23   4.109  -3.525   0.166
  139    HB3  LYS  23           2HB      LYS  23   5.619  -2.876   0.772
  140    HG2  LYS  23           1HG      LYS  23   5.055  -4.131   2.625
  141    HG3  LYS  23           2HG      LYS  23   4.180  -2.675   3.053
  142    HD2  LYS  23           1HD      LYS  23   2.085  -3.571   2.303
  143    HD3  LYS  23           2HD      LYS  23   2.858  -4.847   1.386
  144    HE2  LYS  23           1HE      LYS  23   2.906  -4.609   4.434
  145    HE3  LYS  23           2HE      LYS  23   1.856  -5.681   3.529
  146    HZ1  LYS  23           2HZ      LYS  23   3.885  -6.747   2.617
  147    HZ3  LYS  23           1HZ      LYS  23   3.828  -6.870   4.240
  148    H    ARG  24           H        ARG  24   6.194  -0.224   1.332
  149    HA   ARG  24           HA       ARG  24   6.322   0.811  -1.387
  150    HB2  ARG  24           1HB      ARG  24   5.801   2.448   0.650
  151    HB3  ARG  24           2HB      ARG  24   7.520   2.312   0.963
  152    HG2  ARG  24           1HG      ARG  24   7.793   2.871  -1.602
  153    HG3  ARG  24           2HG      ARG  24   6.138   3.437  -1.495
  154    HD2  ARG  24           1HD      ARG  24   7.798   4.440   0.732
  155    HD3  ARG  24           2HD      ARG  24   8.435   4.912  -0.830
  156    HE   ARG  24           HE       ARG  24   5.534   5.307  -0.550
  157   HH11  ARG  24          2HH2      ARG  24   8.720   6.746  -0.151
  158   HH12  ARG  24          1HH2      ARG  24   8.133   8.375  -0.207
  159   HH21  ARG  24          2HH1      ARG  24   4.758   7.455  -0.624
  160   HH22  ARG  24          1HH1      ARG  24   5.864   8.780  -0.478
  161    H    ASN  25           H        ASN  25   7.910  -0.519  -2.284
  162    HA   ASN  25           HA       ASN  25   9.916  -1.246  -2.707
  163    HB2  ASN  25           1HB      ASN  25  11.134   0.043  -0.241
  164    HB3  ASN  25           2HB      ASN  25  11.862  -0.194  -1.818
  165   HD21  ASN  25          1HD2      ASN  25   9.491   0.673  -3.274
  166   HD22  ASN  25          2HD2      ASN  25   9.408   2.399  -3.152
  167    H    GLY  26           H        GLY  26   7.969  -2.476  -0.731
  168    HA2  GLY  26           1HA      GLY  26   7.976  -4.505   0.314
  169    HA3  GLY  26           2HA      GLY  26   9.728  -4.526   0.302
  170    H    LEU  27           H        LEU  27   7.636  -1.864   1.543
  171    HA   LEU  27           HA       LEU  27   8.224  -2.662   4.269
  172    HB2  LEU  27           1HB      LEU  27   9.044   0.041   3.202
  173    HB3  LEU  27           2HB      LEU  27   9.167  -0.508   4.862
  174    HG   LEU  27           HG       LEU  27  10.612  -1.924   2.620
  175   HD11  LEU  27          1HD1      LEU  27  12.067  -0.273   2.361
  176   HD12  LEU  27          2HD1      LEU  27  11.070   0.752   3.421
  177   HD13  LEU  27          3HD1      LEU  27  12.382  -0.232   4.113
  178   HD21  LEU  27          3HD2      LEU  27  10.915  -1.845   5.627
  179   HD22  LEU  27          1HD2      LEU  27  10.533  -3.237   4.588
  180   HD23  LEU  27          2HD2      LEU  27  12.156  -2.509   4.538
  181    HA   PRO  28           HA       PRO  28   4.128  -1.184   4.365
  182    HB2  PRO  28           1HB      PRO  28   3.530  -1.962   6.917
  183    HB3  PRO  28           2HB      PRO  28   3.400  -3.030   5.533
  184    HG2  PRO  28           1HG      PRO  28   5.467  -2.978   7.646
  185    HG3  PRO  28           2HG      PRO  28   5.077  -4.266   6.524
  186    HD2  PRO  28           1HD      PRO  28   7.311  -2.472   6.371
  187    HD3  PRO  28           2HD      PRO  28   6.856  -3.683   5.189
  188    H    VAL  29           H        VAL  29   5.828   0.838   4.326
  189    HA   VAL  29           HA       VAL  29   5.271   2.303   6.796
  190    HB   VAL  29           HB       VAL  29   7.606   2.077   6.064
  191   HG11  VAL  29          1HG1      VAL  29   6.514   2.660   3.494
  192   HG12  VAL  29          2HG1      VAL  29   7.664   3.954   3.905
  193   HG13  VAL  29          3HG1      VAL  29   8.194   2.256   3.923
  194   HG21  VAL  29          3HG2      VAL  29   7.733   4.828   5.683
  195   HG22  VAL  29          1HG2      VAL  29   6.200   4.591   6.557
  196   HG23  VAL  29          2HG2      VAL  29   7.721   3.976   7.245
  Start of MODEL   20
    1    H1   CYS   1           H        CYS   1   3.453   1.543   4.630
    2    HA   CYS   1           HA       CYS   1   3.361   4.244   3.548
    3    HB2  CYS   1           1HB      CYS   1   1.872   1.735   2.748
    4    HB3  CYS   1           2HB      CYS   1   1.662   3.305   1.998
    5    H    GLY   2           H        GLY   2   1.484   1.756   5.380
    6    HA2  GLY   2           1HA      GLY   2  -0.070   2.062   7.005
    7    HA3  GLY   2           2HA      GLY   2   0.077   3.799   6.831
    8    H    GLU   3           H        GLU   3  -0.303   2.760   3.698
    9    HA   GLU   3           HA       GLU   3  -3.080   3.474   3.773
   10    HB2  GLU   3           1HB      GLU   3  -1.529   4.446   2.078
   11    HB3  GLU   3           2HB      GLU   3  -1.245   2.849   1.416
   12    HG2  GLU   3           1HG      GLU   3  -3.508   2.640   0.640
   13    HG3  GLU   3           2HG      GLU   3  -4.066   3.964   1.643
   14    H    THR   4           H        THR   4  -4.617   2.165   2.236
   15    HA   THR   4           HA       THR   4  -3.995  -0.700   2.395
   16    HB   THR   4           HB       THR   4  -6.522  -0.879   3.092
   17    HG1  THR   4           1HG      THR   4  -6.702   1.526   2.616
   18   HG21  THR   4          3HG2      THR   4  -6.023  -0.504   5.483
   19   HG22  THR   4          1HG2      THR   4  -4.623  -1.291   4.717
   20   HG23  THR   4          2HG2      THR   4  -4.586   0.455   5.057
   21    H    CYS   5           H        CYS   5  -5.053  -2.026   0.834
   22    HA   CYS   5           HA       CYS   5  -6.434  -0.534  -1.253
   23    HB2  CYS   5           1HB      CYS   5  -5.124  -1.416  -3.011
   24    HB3  CYS   5           2HB      CYS   5  -4.026  -0.683  -1.859
   25    H    THR   6           H        THR   6  -7.705  -2.025   0.707
   26    HA   THR   6           HA       THR   6  -7.910  -4.739   0.420
   27    HB   THR   6           HB       THR   6  -9.714  -2.478   1.287
   28    HG1  THR   6           1HG      THR   6  -8.426  -3.323   2.919
   29   HG21  THR   6          3HG2      THR   6 -11.362  -4.286   2.046
   30   HG22  THR   6          1HG2      THR   6 -11.392  -3.957   0.298
   31   HG23  THR   6          2HG2      THR   6 -10.553  -5.399   0.918
   32    H    LEU   7           H        LEU   7  -8.971  -2.226  -1.812
   33    HA   LEU   7           HA       LEU   7 -10.584  -4.144  -3.279
   34    HB2  LEU   7           1HB      LEU   7 -10.057  -1.383  -4.258
   35    HB3  LEU   7           2HB      LEU   7 -11.503  -2.366  -4.376
   36    HG   LEU   7           HG       LEU   7 -10.507  -0.940  -1.893
   37   HD11  LEU   7          1HD1      LEU   7 -11.389   0.640  -3.464
   38   HD12  LEU   7          2HD1      LEU   7 -12.820  -0.376  -3.765
   39   HD13  LEU   7          3HD1      LEU   7 -12.595   0.398  -2.178
   40   HD21  LEU   7          3HD2      LEU   7 -11.680  -3.170  -1.526
   41   HD22  LEU   7          1HD2      LEU   7 -12.371  -1.750  -0.705
   42   HD23  LEU   7          2HD2      LEU   7 -13.141  -2.390  -2.177
   43    H    GLY   8           H        GLY   8  -7.425  -2.701  -3.236
   44    HA2  GLY   8           1HA      GLY   8  -5.732  -4.020  -4.364
   45    HA3  GLY   8           2HA      GLY   8  -6.783  -4.097  -5.765
   46    H    THR   9           H        THR   9  -7.047  -1.044  -4.198
   47    HA   THR   9           HA       THR   9  -5.066   0.105  -6.055
   48    HB   THR   9           HB       THR   9  -7.761   1.280  -5.197
   49    HG1  THR   9           1HG      THR   9  -6.751  -0.159  -7.549
   50   HG21  THR   9          3HG2      THR   9  -7.308   2.517  -7.462
   51   HG22  THR   9          1HG2      THR   9  -6.411   3.079  -6.031
   52   HG23  THR   9          2HG2      THR   9  -5.612   2.029  -7.226
   53    H    CYS  10           H        CYS  10  -4.000   2.057  -5.377
   54    HA   CYS  10           HA       CYS  10  -4.094   2.386  -2.467
   55    HB2  CYS  10           1HB      CYS  10  -1.715   2.113  -4.283
   56    HB3  CYS  10           2HB      CYS  10  -1.593   3.016  -2.786
   57    H    TYR  11           H        TYR  11  -4.471   4.503  -1.850
   58    HA   TYR  11           HA       TYR  11  -4.661   6.474  -3.967
   59    HB2  TYR  11           1HB      TYR  11  -5.486   6.033  -1.075
   60    HB3  TYR  11           2HB      TYR  11  -5.362   7.699  -1.605
   61    HD1  TYR  11           2HD      TYR  11  -6.762   4.516  -3.042
   62    HD2  TYR  11           1HD      TYR  11  -7.385   8.659  -2.175
   63    HE1  TYR  11           2HE      TYR  11  -9.097   4.381  -4.038
   64    HE2  TYR  11           1HE      TYR  11  -9.717   8.509  -3.175
   65    HH   TYR  11           HH       TYR  11 -11.089   7.283  -4.361
   66    H    THR  12           H        THR  12  -1.978   5.421  -2.978
   67    HA   THR  12           HA       THR  12  -0.845   8.063  -2.441
   68    HB   THR  12           HB       THR  12  -0.443   5.526  -0.779
   69    HG1  THR  12           1HG      THR  12  -1.408   6.914   0.759
   70   HG21  THR  12          3HG2      THR  12   1.608   6.299  -0.142
   71   HG22  THR  12          1HG2      THR  12   1.495   7.571  -1.382
   72   HG23  THR  12          2HG2      THR  12   0.890   7.875   0.265
   73    H    GLN  13           H        GLN  13   0.364   8.455  -4.187
   74    HA   GLN  13           HA       GLN  13   1.347   6.382  -5.779
   75    HB2  GLN  13           1HB      GLN  13   1.978   9.358  -5.652
   76    HB3  GLN  13           2HB      GLN  13   2.677   8.298  -6.861
   77    HG2  GLN  13           1HG      GLN  13   0.568   7.835  -7.865
   78    HG3  GLN  13           2HG      GLN  13  -0.328   8.336  -6.446
   79   HE21  GLN  13          1HE2      GLN  13   1.624   9.408  -9.159
   80   HE22  GLN  13          2HE2      GLN  13   1.070  11.048  -9.223
   81    H    GLY  14           H        GLY  14   3.428   5.464  -5.972
   82    HA2  GLY  14           1HA      GLY  14   5.722   5.380  -5.508
   83    HA3  GLY  14           2HA      GLY  14   5.489   6.395  -4.099
   84    H    CYS  15           H        CYS  15   2.890   4.480  -3.760
   85    HA   CYS  15           HA       CYS  15   4.422   2.463  -2.289
   86    HB2  CYS  15           1HB      CYS  15   1.904   3.945  -1.666
   87    HB3  CYS  15           2HB      CYS  15   2.064   2.301  -1.084
   88    H    THR  16           H        THR  16   3.972   0.283  -2.729
   89    HA   THR  16           HA       THR  16   2.244  -0.189  -5.026
   90    HB   THR  16           HB       THR  16   3.398  -2.564  -4.584
   91    HG1  THR  16           1HG      THR  16   4.357  -2.078  -2.566
   92   HG21  THR  16          3HG2      THR  16   4.001  -0.819  -6.426
   93   HG22  THR  16          1HG2      THR  16   5.251  -0.246  -5.295
   94   HG23  THR  16          2HG2      THR  16   5.301  -1.918  -5.906
   95    H    CYS  17           H        CYS  17   0.451  -1.534  -5.063
   96    HA   CYS  17           HA       CYS  17  -0.880  -1.709  -2.539
   97    HB2  CYS  17           1HB      CYS  17  -2.297  -1.080  -4.258
   98    HB3  CYS  17           2HB      CYS  17  -1.624  -2.235  -5.391
   99    H    SER  18           H        SER  18   0.517  -3.224  -1.384
  100    HA   SER  18           HA       SER  18   0.513  -5.907  -2.461
  101    HB2  SER  18           1HB      SER  18   1.650  -5.247   0.248
  102    HB3  SER  18           2HB      SER  18   2.223  -6.397  -0.945
  103    HG   SER  18           HG       SER  18   3.636  -4.873  -1.457
  104    H    TRP  19           H        TRP  19  -1.906  -6.052  -2.265
  105    HA   TRP  19           HA       TRP  19  -3.490  -5.444  -0.246
  106    HB2  TRP  19           1HB      TRP  19  -4.027  -6.695  -2.385
  107    HB3  TRP  19           2HB      TRP  19  -3.622  -8.171  -1.530
  108    HD1  TRP  19           HD       TRP  19  -6.467  -5.736  -1.977
  109    HE1  TRP  19           1HE      TRP  19  -8.586  -6.385  -0.544
  110    HE3  TRP  19           3HE      TRP  19  -4.130  -9.266   0.840
  111    HZ2  TRP  19           2HZ      TRP  19  -9.036  -8.260   1.560
  112    HZ3  TRP  19           3HZ      TRP  19  -5.482 -10.459   2.561
  113    HH2  TRP  19           HH       TRP  19  -7.852 -10.006   2.943
  114    HA   PRO  20           HA       PRO  20  -4.861  -5.868   0.960
  115    HB2  PRO  20           1HB      PRO  20  -5.563  -5.309   3.541
  116    HB3  PRO  20           2HB      PRO  20  -6.199  -6.678   2.649
  117    HG2  PRO  20           1HG      PRO  20  -4.162  -6.645   4.791
  118    HG3  PRO  20           2HG      PRO  20  -5.107  -7.995   4.196
  119    HD2  PRO  20           1HD      PRO  20  -2.353  -7.440   3.617
  120    HD3  PRO  20           2HD      PRO  20  -3.330  -8.723   2.930
  121    H    ILE  21           H        ILE  21  -1.907  -5.314   2.459
  122    HA   ILE  21           HA       ILE  21  -2.563  -2.506   2.917
  123    HB   ILE  21           HB       ILE  21  -0.338  -4.290   3.896
  124   HG12  ILE  21          1HG1      ILE  21  -2.781  -4.299   4.852
  125   HG13  ILE  21          2HG1      ILE  21  -1.398  -4.337   5.927
  126   HG21  ILE  21          1HG2      ILE  21  -0.713  -1.312   4.311
  127   HG22  ILE  21          2HG2      ILE  21   0.414  -2.340   5.228
  128   HG23  ILE  21          3HG2      ILE  21   0.633  -2.122   3.475
  129   HD11  ILE  21          3HD1      ILE  21  -3.291  -2.628   6.447
  130   HD12  ILE  21          1HD1      ILE  21  -1.612  -2.039   6.504
  131   HD13  ILE  21          2HD1      ILE  21  -2.629  -1.691   5.086
  132    H    CYS  22           H        CYS  22  -0.792  -0.888   2.343
  133    HA   CYS  22           HA       CYS  22   0.337  -1.627  -0.240
  134    HB2  CYS  22           1HB      CYS  22   0.056   1.097   1.047
  135    HB3  CYS  22           2HB      CYS  22   0.694   0.780  -0.555
  136    H    LYS  23           H        LYS  23   2.601  -1.638  -0.558
  137    HA   LYS  23           HA       LYS  23   4.194  -1.057   1.841
  138    HB2  LYS  23           1HB      LYS  23   4.169  -3.459   0.056
  139    HB3  LYS  23           2HB      LYS  23   5.706  -2.930   0.709
  140    HG2  LYS  23           1HG      LYS  23   4.763  -4.521   2.278
  141    HG3  LYS  23           2HG      LYS  23   4.676  -2.937   3.023
  142    HD2  LYS  23           1HD      LYS  23   2.349  -2.799   2.808
  143    HD3  LYS  23           2HD      LYS  23   2.308  -3.824   1.387
  144    HE2  LYS  23           1HE      LYS  23   2.690  -4.693   4.284
  145    HE3  LYS  23           2HE      LYS  23   1.360  -5.100   3.218
  146    HZ1  LYS  23           2HZ      LYS  23   2.895  -6.385   1.850
  147    HZ3  LYS  23           1HZ      LYS  23   3.007  -6.907   3.388
  148    H    ARG  24           H        ARG  24   6.454  -0.394   1.371
  149    HA   ARG  24           HA       ARG  24   6.576   0.857  -1.257
  150    HB2  ARG  24           1HB      ARG  24   6.321   2.315   0.967
  151    HB3  ARG  24           2HB      ARG  24   8.036   2.000   1.144
  152    HG2  ARG  24           1HG      ARG  24   8.240   2.805  -1.341
  153    HG3  ARG  24           2HG      ARG  24   6.625   3.450  -1.126
  154    HD2  ARG  24           1HD      ARG  24   8.458   4.139   1.104
  155    HD3  ARG  24           2HD      ARG  24   8.994   4.761  -0.444
  156    HE   ARG  24           HE       ARG  24   7.091   6.165  -0.546
  157   HH11  ARG  24          2HH2      ARG  24   6.830   3.924   2.156
  158   HH12  ARG  24          1HH2      ARG  24   5.489   4.751   2.877
  159   HH21  ARG  24          2HH1      ARG  24   5.321   7.255   0.406
  160   HH22  ARG  24          1HH1      ARG  24   4.625   6.658   1.875
  161    H    ASN  25           H        ASN  25   7.987  -0.509  -2.367
  162    HA   ASN  25           HA       ASN  25   9.836  -1.484  -2.941
  163    HB2  ASN  25           1HB      ASN  25  10.854   0.454  -0.872
  164    HB3  ASN  25           2HB      ASN  25  11.950  -0.833  -1.332
  165   HD21  ASN  25          1HD2      ASN  25  11.738   2.165  -1.823
  166   HD22  ASN  25          2HD2      ASN  25  11.998   2.365  -3.524
  167    H    GLY  26           H        GLY  26   8.009  -2.522  -0.726
  168    HA2  GLY  26           1HA      GLY  26   7.998  -4.607   0.253
  169    HA3  GLY  26           2HA      GLY  26   9.748  -4.675   0.182
  170    H    LEU  27           H        LEU  27   7.574  -2.103   1.531
  171    HA   LEU  27           HA       LEU  27   8.334  -2.845   4.215
  172    HB2  LEU  27           1HB      LEU  27   9.051  -0.107   3.171
  173    HB3  LEU  27           2HB      LEU  27   9.318  -0.732   4.786
  174    HG   LEU  27           HG       LEU  27  10.628  -1.873   2.304
  175   HD11  LEU  27          1HD1      LEU  27  12.663  -0.665   3.584
  176   HD12  LEU  27          2HD1      LEU  27  11.716   0.107   2.289
  177   HD13  LEU  27          3HD1      LEU  27  11.344   0.457   3.994
  178   HD21  LEU  27          3HD2      LEU  27  10.309  -3.164   4.608
  179   HD22  LEU  27          1HD2      LEU  27  11.798  -3.297   3.641
  180   HD23  LEU  27          2HD2      LEU  27  11.745  -2.208   5.048
  181    HA   PRO  28           HA       PRO  28   4.215  -1.418   4.409
  182    HB2  PRO  28           1HB      PRO  28   3.653  -2.344   6.919
  183    HB3  PRO  28           2HB      PRO  28   3.504  -3.330   5.478
  184    HG2  PRO  28           1HG      PRO  28   5.599  -3.398   7.562
  185    HG3  PRO  28           2HG      PRO  28   5.194  -4.619   6.372
  186    HD2  PRO  28           1HD      PRO  28   7.425  -2.818   6.292
  187    HD3  PRO  28           2HD      PRO  28   6.954  -3.959   5.048
  188    H    VAL  29           H        VAL  29   5.921   0.602   4.465
  189    HA   VAL  29           HA       VAL  29   5.246   1.956   6.982
  190    HB   VAL  29           HB       VAL  29   7.642   1.604   6.517
  191   HG11  VAL  29          1HG1      VAL  29   7.916   3.638   4.453
  192   HG12  VAL  29          2HG1      VAL  29   8.596   1.995   4.534
  193   HG13  VAL  29          3HG1      VAL  29   6.959   2.250   3.884
  194   HG21  VAL  29          3HG2      VAL  29   6.609   3.666   7.709
  195   HG22  VAL  29          1HG2      VAL  29   8.321   3.726   7.225
  196   HG23  VAL  29          2HG2      VAL  29   7.089   4.557   6.244