*HEADER    ISOMERASE                               10-JUN-13   2M9J              
*TITLE     NMR SOLUTION STRUCTURE OF PIN1 WW DOMAIN MUTANT 6-1G                  
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: PEPTIDYL-PROLYL CIS-TRANS ISOMERASE NIMA-INTERACTING 1;    
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: MODIFIED WW DOMAIN (UNP RESIDUES 6-39);                    
*COMPND   5 SYNONYM: PEPTIDYL-PROLYL CIS-TRANS ISOMERASE PIN1, PPIASE PIN1,      
*COMPND   6 ROTAMASE PIN1;                                                       
*COMPND   7 ENGINEERED: YES;                                                     
*COMPND   8 MUTATION: YES                                                        
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   4 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   5 ORGANISM_TAXID: 9606                                                 
*KEYWDS    N-GLYCOSYLATION, ENHANCED AROMATIC SEQUON, WW DOMAIN, CH-PI           
*KEYWDS   2 INTERACTION, ISOMERASE                                               
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    17                                                                    
*AUTHOR    S.ENCK, W.CHEN, J.L.PRICE, E.T.POWERS, C.WONG, H.J.DYSON, J.W.KELLY   
*REVDAT   1   26-JUN-13 2M9J    0                                                


# SEA006  6-residue-turn with GlcNAc

# intra-residue distance restraints

 # HA/H

# 7 GLU HA 7 GLU H 3.19  # 130 0.1403
# 8 LYS HA 8 LYS H 3.19  # 123 0.1387
# 10 MET HA 10 MET H 3.28  # 104 0.1178
# 17 VAL HA 17 VAL H 3.21  # 118 0.1340
# 18 TYR HA 18 TYR H 3.14  # 119 0.1526
# 19 TYR HA 19 TYR H 3.27  # 124 0.1204
# 20 PHE HA 20 PHE H 3.31  # 125 0.1111
# 23 ILE HA 23 ILE H 3.07  # 113 0.1750
# 26 ALA HA 26 ALA H 2.97  # 90  0.2118
# 31 ARG HA 31 ARG H 3.17  # 295 0.1435
# 33 SER HA 33 SER H 3.08  # 110 0.1734

# HB/H

8 LYS HB2 8 LYS H 4.00  # 157 0.2196
8 LYS HB3 8 LYS H 4.00  # 158 0.2981
9 ARG QB 9 ARG H 5.00  # 141,142 0.1446 2 protons
11 PHE HB3 11 PHE H 4.00  # 216 0.1595
11 PHE HB2 11 PHE H 4.00  # 217 0.2185
17 VAL HB 17 VAL H 3.00  # 174 0.3981
18 TYR HB2 18 TYR H 4.00  # 186 0.0524
18 TYR HB3 18 TYR H 4.00  # 187 0.0633
20 PHE HB3 20 PHE H 4.00  # 182 0.2206
20 PHE HB2 20 PHE H 4.00  # 183 0.1561
23 ILE HB 23 ILE H 3.00  # 172 0.5342
24 THR HB 24 THR H 4.00  # 233 0.0922
25 ASN HB2 25 ASN H 4.00  # 198 0.0895
25 ASN HB3 25 ASN H 4.50  # 199 0.1054
27 SER HB2 27 SER H 4.00  # 218 0.2053 only 006
27 SER HB3 27 SER H 5.00  # 219 0.1084 only 006
30 GLU HB2 30 GLU H 4.00  # 159 0.2477
30 GLU HB3 30 GLU H 4.00  # 160 0.2945
31 ARG QB 31 ARG H 4.00  # 147,148 0.6064 2 protons

# HB/HA

6 TRP HB2 6 TRP HA 4.00  # 279 0.2367  slight ol
6 TRP HB3 6 TRP HA 4.00  # 280 0.1670
8 LYS HB2 8 LYS HA 4.00  # 253 0.2594
8 LYS HB3 8 LYS HA 4.00  # 254 0.2522  slight ol
11 PHE HB3 11 PHE HA 4.00  # 283 0.3138
11 PHE HB2 11 PHE HA 4.00  # 284 0.3520
17 VAL HB 17 VAL HA 4.00  # 261 0.2791
19 TYR HB2 19 TYR HA 4.00  # 271 0.2390
19 TYR HB3 19 TYR HA 4.00  # 272 0.2864
21 ASN HB2 21 ASN HA 4.00  # 246 0.1908
21 ASN HB3 21 ASN HA 4.00  # 247 0.1876  slight ol
22 HIS HB3 22 HIS HA 3.00  # 281 0.3704  slight ol
22 HIS HB2 22 HIS HA 3.00  # 282 0.4085  slight ol
24 THR HB 24 THR HA 3.00  # 291 0.4859
25 ASN HB2 25 ASN HA 4.00  # 275 0.2376
25 ASN HB3 25 ASN HA 4.00  # 276 0.3689
27 SER HB2 27 SER HA 4.00  # 287 0.2017
27 SER HB3 27 SER HA 4.00  # 288 0.2155
29 PHE HB2 29 PHE HA 3.00  # 277 0.3150  slight ol
29 PHE HB3 29 PHE HA 3.00  # 278 0.3637
30 GLU HB2 30 GLU HA 3.00  # 255 0.4696  slight ol
30 GLU HB3 30 GLU HA 3.00  # 256 0.6149  slight ol
33 SER HB2 33 SER HA 4.00  # 285 0.2471
33 SER HB3 33 SER HA 4.00  # 286 0.2081






 # others

6 TRP HZ3 6 TRP HA 5.00  # 459 0.0548
6 TRP HD1 6 TRP HA 4.50  # 460 0.0583
11 PHE QD 11 PHE H 4.00  # 536 0.1383 only 006
14 ASN HB3 14 ASN HD21 4.00  # 411 0.1060 only 006
16 THR QG2 16 THR H 5.00  # 372 0.1198
18 TYR QD 18 TYR H 4.00  # 517 0.1861
18 TYR QE 18 TYR H 5.00  # 518 0.0345 only 006
18 TYR QE 18 TYR HB2 5.00  # 401 0.0582 only 006
19 TYR QD 19 TYR H 4.00  # 528 0.2842
20 PHE QD 20 PHE HA 4.00  # 458 0.2723
20 PHE QD 20 PHE H 5.00  # 459,538 0.0075
29 PHE QD 29 PHE H 4.00  # 502 0.1458


# sequential distance restraints

# H/H: values of both cross peaks were mediated (in some cases not due to phasing problems)

5 GLY H 6 TRP H 4.00  # 60 0.0641 calibration peak
7 GLU H 8 LYS H 5.00  # 29 0.0263 calibration peak
9 ARG H 10 MET H 5.00  # 25 0.0250 calibration peak
14 ASN H 15 GLY H 5.00  # 85,86 0.0282 one peak very weak
15 GLY H 16 THR H 4.00  # 62 0.1220
16 THR H 17 VAL H 5.00  # 63,64 0.0636
18 TYR H 19 TYR H 5.00  # 26 0.0226 calibration peak
20 PHE H 21 ASN H 4.50  # 20,24 0.0410 calibration peak
22 HIS H 23 ILE H 4.00  # 78 0.1736
23 ILE H 24 THR H 3.00  # 57,58 0.4108
24 THR H 25 GLN H 3.00  # 56 0.3695
25 ASN H 26 ALA H 4.00  # 71 0.2299
27 SER H 28 GLN H 5.00  # 27 0.0247
29 PHE H 30 GLU H 4.00  # 84 0.2094
30 GLU H 31 ARG H 5.00  # 82 0.0196
33 SER H 34 GLY H 4.00  # 68 0.0812

# HA/H

6 TRP HA 7 GLU H 3.00  # 17 0.6410 calibration peak
7 GLU HA 8 LYS H 3.00  # 12 0.8080 calibration peak
9 ARG HA 10 MET H 3.00  # 7 0.5965 calibration peak
14 ASN HA 15 GLY H 4.00  # 115 0.1583
15 GLY HA2 16 THR H 4.00  # 99 0.1026
15 GLY HA3 16 THR H 4.00  # 100 0.1480
17 VAL HA 18 TYR H 3.00  # 11 0.6251 calibration peak
20 PHE HA 21 ASN H 3.00  # 9 0.5251 calibration peak
21 ASN HA 22 HIS H 3.00  # 8 0.5740 calibration peak
# 23 ILE HA 22 HIS H 5.00  # 108 0.0281
23 ILE HA 24 THR H 4.00  # 94 0.1034
25 ASN HA 26 ALA H 4.00  # 89 0.2519
26 ALA HA 27 SER H 4.00  # 10 1.0000 calibration peak
27 SER HA 28 GLN H 3.00  # 16 0.4693 calibration peak
28 GLN HA 29 PHE H 4.00  # 13 0.1862 calibration peak
29 PHE HA 30 GLU H 4.00  # 111 0.0992
30 GLU HA 31 ARG H 3.00  # 117 0.7506 slight ol
32 PRO HA 33 SER H 3.50  # 109 0.5770

# HA/HA

# 3 PRO HA 4 PRO HA 3.10  # 294 0.1640
# 26 ALA HA 27 SER HA 3.68  # 133 0.0596
# 27 SER HA 28 GLN HA 3.85  # 134 0.0455
# 30 GLU HA 31 ARG HA 3.69  # 131 0.0583 slight ol
# 32 PRO HA 33 SER HA 5.19  # 132 0.0079 very weak

# HB/H

4 PRO HB2 5 GLY H 4.00  # 169 0.0410
4 PRO HB3 5 GLY H 4.00  # 170 0.0871
6 TRP HB2 7 GLU H 4.00  # 206 0.1250
6 TRP HB3 7 GLU H 4.50  # 207 0.0754
8 LYS HB2 9 ARG H 4.00  # 153 0.0890
8 LYS HB3 9 ARG H 4.50  # 154 0.0831
17 VAL HB 18 TYR H 4.00  # 173 0.0970
19 TYR HB2 20 PHE H 4.20  # 188 0.0959 HF cross peak
19 TYR HB3 20 PHE H 4.00  # 189 0.1553 HF cross peak
20 PHE HB3 21 ASN H 4.50  # 180 0.0635 HF cross peak
20 PHE HB2 21 ASN H 4.50  # 181 0.0768 HF cross peak
23 ILE HB 24 THR H 3.00  # 171 0.4702
24 THR HB 25 ASN H 4.00  # 235 0.0356
25 ASN HB2 26 ALA H 4.00  # 194 0.0504
25 ASN HB3 26 ALA H 5.50  # 195 0.0292
# 26 ALA QB 25 ASN H 5.00  # 241 0.0577
26 ALA QB 27 SER H 4.00  # 245 0.3493
27 SER HB2 28 GLN H 4.00  # 228 0.0683
27 SER HB3 28 GLN H 4.00  # 229 0.1376
30 GLU HB2 31 ARG H 4.00  # 161 0.1418 HF cross peak
30 GLU HB3 31 ARG H 4.00  # 162 0.1282 HF cross peak
32 PRO HB3 33 SER H 4.00  # 145 0.0788
32 PRO HB2 33 SER H 4.00  # 146 0.0691

 # HB/HA

# 11 PHE HB3 10 MET HA 3.98  # 413 0.0370 only 006
# 11 PHE HB2 10 MET HA 3.70  # 414 0.0572 only 006
# 13 SER HB2 14 ASN HA 3.17  # 415 0.1447 only 006
# 20 PHE HB2 19 TYR HA 3.61  # 402 0.0671
# 21 ASN HB2 20 PHE HA 3.72  # 299 0.0557
# 26 ALA QB 27 SER HA 4.80  # 356 0.0491
# 28 GLN QB 27 SER HA 4.60  # 388 0.0676 2 protons
# 32 PRO HB3 31 ARG HA 3.48  # 315 0.0828

 # SC/SC

# 2 LEU HB2 3 PRO HD3 3.28  # 359 0.1186
# 16 THR QG2 17 VAL HB 4.49  # 360 0.0815
# 16 THR QG2 17 VAL QG1 6.23  # 362 0.0230 005 ol
# 16 THR QG2 17 VAL QG2 5.50  # 363 0.0799 005 ol
# 22 HIS HD2 23 ILE QG2 5.24  # 342 0.0256
# 22 HIS HD2 23 ILE QD1 4.71  # 341,475 0.0564
# 23 ILE HB 24 THR QG2 3.78  # 343 0.3157
# 31 ARG HG2 32 PRO HD3 3.08  # 382 0.1711
# 31 ARG HG3 32 PRO HD3 2.84  # 383 0.2792
# 31 ARG HG2 32 PRO HD2 3.50  # 384 0.0802
# 31 ARG HG3 32 PRO HD2 3.42  # 385 0.0914

# others

# 6 TRP HZ3 7 GLU H 5.50  # 541 0.0296
7 GLU HB2 8 LYS H 4.50  # 387 0.0965
7 GLU HG2 8 LYS H 4.00  # 396 0.0962
7 GLU HG3 8 LYS H 4.00  # 397 0.0737
8 LYS HG2 9 ARG H 4.00  # 349 0.1047
10 MET HG2 11 PHE H 4.00  # 394 0.0914
10 MET HG3 11 PHE H 4.00  # 395 0.0611
# 16 THR QG2 17 VAL HA 5.00  # 365 0.0424
17 VAL QG1 18 TYR H 4.00  # 345 0.2628
17 VAL QG2 18 TYR H 5.00  # 346 0.1143
# 18 TYR QD 17 VAL HA 4.00  # 429 0.1345
18 TYR QD 19 TYR H 4.00  # 527 0.1668
18 TYR QE 19 TYR H 5.50  # 530 0.0271 only 006
19 TYR QD 20 PHE H 4.20  # 537 0.0611
# 22 HIS HD2 23 ILE HA 5.00  # 478 0.0190
24 THR QG2 25 ASN H 5.00  # 347 0.0738
24 THR QG2 23 ILE H 5.00  # 348 0.1072
32 PRO HB3 33 SER H 4.00  # 143 0.1137
32 PRO HB2 33 SER H 4.00  # 144 0.1128


# long-range distances on turn side

 # BB/BB

9 ARG H 18 TYR H 4.00  # 46,47 0.1313
9 ARG H 19 TYR HA 4.00  # 36 0.1215
9 ARG H 20 PHE H 5.00  # 28,29 0.0435
10 MET HA 18 TYR H 4.00  # 120 0.1602
11 PHE H 16 THR H 4.00  # 66 0.0407
11 PHE H 17 VAL HA 4.00  # 533 0.1322 005 ol
11 PHE H 18 TYR H 5.00  # 87,519 0.0426
23 ILE H 25 ASN H 4.00  # 72,73 0.1395

 # SC/BB

8 LYS HG2 18 TYR H 4.00  # 335 0.0657
9 ARG QB 18 TYR H 5.00  # 516 0.0283 2 protons
9 ARG QB 19 TYR HA 5.00  # 338 0.0418 only 006 2 protons
10 MET HG2 15 GLY HA2 4.50  # 389 0.0690
10 MET HG2 15 GLY HA3 5.00  # 390 0.0287
10 MET HG3 15 GLY HA3 5.00  # 391 0.0359
10 MET HG2 17 VAL HA 4.20  # 392 0.0856
10 MET HG3 17 VAL HA 4.00  # 393 0.0533
11 PHE HB3 15 GLY H 4.00  # 514 0.0338
11 PHE HB2 15 GLY H 3.50  # 515 0.0425
11 PHE HB3 16 THR H 4.00  # 210,212 0.0737 
11 PHE HB2 16 THR H 4.00  # 211,213 0.1066 # 213 005 broad
11 PHE QD 17 VAL HA 5.00  # 486 0.0309 only 006
11 PHE QD 17 VAL H 3.70  # 488 0.1184 only 006
16 THR QG2 11 PHE H 5.00  # 373 0.0359
17 VAL QG1 9 ARG H 5.00  # 332,524 0.0655
17 VAL QG2 9 ARG H 5.50  # 336 0.1568
17 VAL QG1 10 MET HA 5.00  # 328 0.1074
# 17 VAL QG1 11 PHE H 5.00  # 333 0.0534
17 VAL QG2 11 PHE H 5.70  # 532 0.0142
18 TYR QD 9 ARG H 5.00  # 526 0.0146 only 006
18 TYR QE 9 ARG H 6.00  # 525 0.0176 only 006
18 TYR QD 10 MET HA 4.00  # 430 0.1897
18 TYR QE 10 MET HA 4.00  # 427 0.0689 only 006
18 TYR QD 10 MET H 5.00  # 434 0.0408 005 very weak
18 TYR QE 10 MET H 4.00  # 509 0.0392 only 006
18 TYR QD 11 PHE H 4.00  # 535 0.0982 005 ol
18 TYR QE 11 PHE H 4.00  # 534 0.0707 only 006
18 TYR QD 20 PHE HA 5.00  # 431 0.0512
# 18 TYR QD 21 ASN H 6.00  # 513 0.0222 only 006
18 TYR QD 27 SER HA 4.00  # 432 0.0827 only 006
18 TYR QD 28 GLN H 4.00  # 540 0.0713 only 006
20 PHE HB3 7 GLU H 4.00  # 178 0.1081
20 PHE HB2 7 GLU H 5.00  # 179 0.0439
20 PHE QE 22 HIS HA 4.00  # 474 0.7677
20 PHE HZ 22 HIS HA 4.20  # 482 0.3789
20 PHE QD 22 HIS HA 4.00  # 457 0.2348
20 PHE QE 25 ASN H 5.00  # 512 0.0481 005 ol
20 PHE HZ 25 ASN H 5.00  # 483,511 0.0669
20 PHE HB2 27 SER HA 4.00  # 404 0.0621
22 HIS HD2 6 TRP HA 5.00  # 480 0.0172
22 HIS HD2 7 GLU HA 5.00  # 479 0.0159
27 SER HB2 19 TYR H 5.00  # 222,224 0.0229 005 broad not used
27 SER HB3 19 TYR H 5.50  # 223,225 0.0127 005 broad not used
27 SER HB2 20 PHE HA 5.00  # 416 0.0381 only 006
27 SER HB3 20 PHE HA 5.00  # 417 0.0387 only 006
24 THR QG2 26 ALA H 5.00  # 334 0.0689
29 PHE QD 19 TYR H 4.50  # 503 0.0590







 # SC/SC

7 GLU HG2 22 HIS HD2 5.00  # 476 0.0119
7 GLU HG3 22 HIS HD2 5.00  # 477 0.0163
9 ARG QB 18 TYR QD 5.00  # 340,428 0.0548 only 006 2 protons
9 ARG QB 18 TYR QE 5.00  # 339,424 0.0982 only 006 2 protons
9 ARG HG2 18 TYR QD 5.00  # 351 0.0495 only 006
9 ARG HG2 18 TYR QE 4.00  # 350,425 0.1234 only 006
9 ARG HG3 18 TYR QE 5.00  # 353,426 0.0266 only 006
9 ARG QB 20 PHE QD 5.30  # 452 0.0278 2 protons
9 ARG HG2 20 PHE QD 4.00  # 453 0.0641
9 ARG HG3 20 PHE QD 5.50  # 454 0.0119
11 PHE QD 16 THR QG2 5.00  # 485 0.2188 only 006
11 PHE HZ 16 THR QG2 5.60  # 368 0.0173 only 006
11 PHE QE 16 THR QG2 5.00  # 369,468 0.0733 only 006
11 PHE QE 18 TYR QE 4.50  # 487 0.0618 only 006
11 PHE HZ 18 TYR QE 5.00  # 435 0.0217 only 006
11 PHE QE 29 PHE QD 5.00  # 501 0.0253 only 006
16 THR QG2 18 TYR QD 5.20  # 367 0.0298 005 ol
16 THR QG2 29 PHE QD 5.00  # 370 0.1146 005 ol
16 THR QG2 29 PHE QD 5.00  # 497 0.1266
18 TYR QE 20 PHE HB2 4.00  # 403 0.2170 only 006
18 TYR QD 27 SER HB2 4.00  # 420,472 0.0816 only 006
18 TYR QE 27 SER HB3 4.00  # 421,473 0.0961 only 006
18 TYR QE 27 SER HB2 5.00  # 418 0.0371 only 006
18 TYR QE 27 SER HB3 5.00  # 419 0.0456 only 006
18 TYR QD 29 PHE QD 4.00  # 433 0.0683
18 TYR HB2 29 PHE QD 4.00  # 498 0.0905 only 006
18 TYR HB3 29 PHE QD 4.00  # 499 0.1053 only 006
# 18 TYR QE 29 PHE QD 6.00  # 500 0.0160 only 006
20 PHE QD 22 HIS HB3 4.00  # 455 0.1264
20 PHE QD 22 HIS HB2 4.50  # 456 0.0614
20 PHE QD 27 SER HB2 4.50  # 422,470 0.0932 only 006
20 PHE QD 27 SER HB3 4.00  # 423,471 0.1097 only 006


# long-range distances on beta sheet side

 # BB/BB

6 TRP HA 21 ASN H 5.00  # 103 0.0481 slight ol, only 006
6 TRP HA 21 ASN HA 4.00  # 30 0.1117
6 TRP HA 22 HIS H 4.00  # 107 0.1239
7 GLU H 20 PHE H 4.00  # 44,45 0.1516
7 GLU H 21 ASN HA 4.00  # 35 0.1274
7 GLU H 22 HIS H 4.00  # 79,80 0.0589
8 LYS HA 19 TYR HA 4.00  # 31 0.0970
8 LYS HA 20 PHE H 4.00  # 40 0.0677
9 ARG H 18 TYR H 4.00  # 46,47 0.1313
9 ARG H 19 TYR HA 4.00  # 36 0.1215
9 ARG H 20 PHE H 5.00  # 48,49 0.0476
18 TYR HA 28 GLN H 5.50  # 127 0.0410 only 006
# 19 TYR H 21 ASN H 5.00  # 74 0.0533 005 very weak
19 TYR H 27 SER HA 4.50  # 37,38 0.1258
19 TYR H 28 GLN H 4.00  # 50 0.0776
19 TYR HA 28 GLN H 5.00  # 129 0.0202 005 very weak
20 PHE H 27 SER HA 5.00  # 126 0.0160
20 PHE HA 27 SER HA 4.00  # 33 0.3447
20 PHE HA 28 GLN H 4.00  # 43 0.0866
21 ASN H 25 ASN HA 4.50  # 102 0.0893 005 ol
21 ASN H 26 ALA H 4.00  # 75 0.0708 005 ol
21 ASN H 27 SER HA 4.00  # 41 0.1172
21 ASN H 28 GLN H 5.00  # 88 0.0248 006 only
21 ASN HA 23 ILE H 4.00  # 114 0.1032
22 HIS H 24 THR H 5.00  # 76 0.0530
23 ILE HA 25 ASN H 5.00  # 101 0.0523
28 GLN HA 30 GLU H 5.00  # 112 0.0818 005 broad

 # SC/BB

2 LEU HB2 6 TRP H 5.00  # 149 0.0314
2 LEU HB3 6 TRP H 6.00  # 150 0.0563
# 2 LEU QD1 6 TRP H 6.00  # 331 0.0584
# 2 LEU QD2 6 TRP HA 6.00  # 327 0.0674
# 2 LEU QD1 7 GLU H 6.00  # 337 0.0312
6 TRP HE1 3 PRO HA 5.60  # 553 0.0376
# 6 TRP HE3 19 TYR H 5.60  # 529 0.0227
# 6 TRP HE3 20 PHE H 4.00  # 539 0.0867
6 TRP HE1 32 PRO HA 6.00  # 552 0.0101
# 6 TRP HZ2 32 PRO HA 4.00  # 496 0.1290
19 TYR QD 8 LYS H 4.50  # 449,451 0.0575
19 TYR QE 8 LYS H 4.00  # 445,447 0.0599
19 TYR QD 9 ARG H 4.50  # 448,450 0.0614
19 TYR QE 9 ARG H 5.50  # 444,446 0.0365
19 TYR HB3 28 GLN H 5.00  # 191 0.1018
21 ASN HB2 6 TRP HA 4.00  # 298 0.0564
21 ASN HB2 26 ALA H 4.00  # 135,136 0.1079
21 ASN HB3 26 ALA H 4.00  # 481 0.1476
23 ILE QD1 4 PRO HA 6.00  # 322 0.0411
23 ILE QD1 5 GLY H 5.00  # 329 0.0402
23 ILE QG2 5 GLY HA2 5.00  # 319 0.0696 slight ol
23 ILE QG2 5 GLY HA3 5.00  # 321 0.0382 ol
23 ILE QD1 5 GLY HA2 5.00  # 318 0.2253
23 ILE QD1 5 GLY HA3 5.00  # 320 0.2101
23 ILE QG2 25 ASN H 6.00  # 323 0.0311
24 THR HB 26 ALA H 4.00  # 231 0.0811
26 ALA QB 20 PHE HA 5.50  # 355 0.0373
26 ALA QB 21 ASN H 5.00  # 242,243 0.0794
28 GLN QG 30 GLU H 5.00  # 398 0.1949 2 protons
32 PRO HG2 2 LEU HA 5.00  # 313 0.0431


# SC/SC

2 LEU HB2 6 TRP HB3 4.50  # 358 0.1184
2 LEU QD2 6 TRP HB3 6.00  # 326 0.1124
2 LEU QD1 6 TRP HD1 5.50  # 330 0.0373
2 LEU QD2 32 PRO HG3 5.20  # 307 0.0314
2 LEU QD2 32 PRO HG2 5.20  # 308 0.0289
3 PRO HB2 6 TRP HD1 4.00  # 374 0.1159
3 PRO HG3 6 TRP HD1 5.00  # 375 0.1170
3 PRO HB2 6 TRP HE1 5.00  # 376,547 0.0388
3 PRO HG2 6 TRP HE1 5.00  # 377,548 0.0206
3 PRO HG2 6 TRP HD1 4.50  # 380 0.4356
3 PRO HG2 6 TRP HE1 5.00  # 381 0.0763
3 PRO HB3 6 TRP HE1 5.50  # 549 0.0296
3 PRO HD2 6 TRP HE1 5.50  # 550 0.0160
3 PRO HD3 6 TRP HE1 5.00  # 551 0.0194
# 3 PRO HB2 32 PRO HG3 6.00  # 301 0.0431
3 PRO HB2 32 PRO HG2 6.00  # 306 0.0428
3 PRO HD2 32 PRO HG3 5.50  # 303 0.0429
3 PRO HD3 32 PRO HG3 5.00  # 304 0.0270
3 PRO HD2 32 PRO HG2 4.50  # 311 0.0811
3 PRO HD3 32 PRO HG2 5.50  # 312 0.0654
3 PRO HD2 32 PRO HB3 4.50  # 316 0.1154
3 PRO HD3 32 PRO HB3 5.00  # 317 0.0821
# 3 PRO HB2 32 PRO HD3 4.00  # 386 0.1239
# 6 TRP HE3 19 TYR HB2 4.00  # 399 0.2962
6 TRP HB2 19 TYR QE 5.60  # 442 0.0060 very weak
6 TRP HB3 19 TYR QE 5.00  # 443 0.0193
6 TRP HE3 21 ASN HB2 4.00  # 489 0.1185
6 TRP HZ3 21 ASN HB2 5.00  # 300 0.0499
# 6 TRP HZ2 21 ASN HB2 5.00  # 492 0.0563
6 TRP HE1 21 ASN HB2 5.00  # 546 0.0210
6 TRP HZ3 26 ALA QB 5.00  # 357 0.0447
# 6 TRP HZ2 26 ALA QB 5.00  # 495 0.0771
6 TRP HB2 32 PRO HG3 4.00  # 302 0.0930
6 TRP HZ3 32 PRO HG3 6.00  # 305,464 0.0391
6 TRP HB2 32 PRO HG2 5.00  # 309 0.0413
6 TRP HB3 32 PRO HG2 5.00  # 310 0.0163
6 TRP HZ3 32 PRO HG2 5.60  # 314 0.0191
6 TRP HE1 32 PRO HB3 5.00  # 324,542 0.0357
6 TRP HE1 32 PRO HB2 6.00  # 325,543 0.0395
6 TRP HD1 32 PRO HG3 5.00  # 465 0.0302
6 TRP HD1 32 PRO HG2 5.00  # 466 0.0426
# 6 TRP HE3 32 PRO HG3 5.00  # 490 0.1009
# 6 TRP HE3 32 PRO HG2 4.00  # 491 0.0779
# 6 TRP HZ2 32 PRO HG3 5.50  # 493 0.0612
# 6 TRP HZ2 32 PRO HG2 5.50  # 494 0.0320
6 TRP HE1 32 PRO HG3 5.00  # 544 0.0176
6 TRP HE1 32 PRO HG2 5.00  # 545 0.0188
18 TYR HB2 29 PHE QD 4.00  # 400 0.0947 006 only
19 TYR QE 31 ARG QD 5.00  # 207 0.0754 2 protons
19 TYR QE 31 ARG HG2 4.00  # 436 0.2307
19 TYR QE 31 ARG HG3 4.00  # 437 0.1014
19 TYR QE 31 ARG QB 5.00  # 438 0.2143 2 protons
19 TYR QD 31 ARG HG2 4.00  # 439 0.1297
19 TYR QD 31 ARG HG3 4.00  # 440 0.0747
19 TYR QD 31 ARG QB 5.00  # 441 0.1213 2 protons
19 TYR HB3 32 PRO HD3 4.00  # 405 0.2450
19 TYR HB3 32 PRO HD2 5.00  # 406 0.2615
21 ASN HB2 24 THR QG2 5.60  # 297 0.0199
21 ASN HB2 26 ALA QB 5.00  # 296 0.1050
24 THR HB 26 ALA QB 5.00  # 354 0.1498

# Hydrogen bonding restraints SEA006  6-residue-turn with GlcNAc


#Hbonds.lol  (lol = lower distance limit)

#6 TRP  H     3 PRO  O          1.80     # -0.2  OK
#6 TRP  N     3 PRO  O          2.70     # -0.2
#7 GLU  H    20 PHE  O          1.80     # -1.4  OK
#7 GLU  N    20 PHE  O          2.70     # -1.4
#9 ARG  H    18 TYR  O          1.80     # -4.5  increased from SEA005. Ar sc? +0.30
#9 ARG  N    18 TYR  O          2.70     # -4.5
#11 PHE  H   16 THR  O          1.80     # -3.4  OK
#11 PHE  N   16 THR  O          2.70     # -3.4
#14 ASN  H   11 PHE  O          1.80     # ? ol  PDB: should be similar to SEA005. big angle +0.30
#14 ASN  N   11 PHE  O          2.70     # ? ol
#15 GLY  H   14 ASN  OD1        1.80     # -4.1  bridged with THR16 +0.60
#15 GLY  N   14 ASN  OD1        2.70     # -4.1
#16 THR  H   14 ASN  OD1        1.80     # -4.9  bridged with GLY15 +0.60
#16 THR  N   14 ASN  OD1        2.70     # -4.9
#18 TYR  H    9 ARG  O          1.80     # -1.2  OK
#18 TYR  N    9 ARG  O          2.70     # -1.2
#19 TYR  H   28 GLN  O          1.80     # -5.5  C-terminal mobility or Ar sc? +0.60
#19 TYR  N   28 GLN  O          2.70     # -5.5
#20 PHE  H    7 GLU  O          1.80     # -1.4  OK
#20 PHE  N    7 GLU  O          2.70     # -1.4
#21 ASN  H   26 ALA  O          1.80     # -4.5  increased from SEA005. Ar sc? +0.30
#21 ASN  N   26 ALA  O          2.70     # -4.5
#22 HIS  H    5 GLY  O          1.80     # -1.7  PDB: big angle +0.30
#22 HIS  N    5 GLY  O          2.70     # -1.7
#23 ILE  H   21 ASN  OD1        1.80     # -5.4  bridged with THR24 +0.30
#23 ILE  N   21 ASN  OD1        2.70     # -5.4
#24 THR  H   21 ASN  OD1        1.80     # -1.4  bridged with ILE23 +0.30
#24 THR  N   21 ASN  OD1        2.70     # -1.4
#25 ASN  H   21 ASN  O          1.80     # -2.3  PDB: big angle +0.30
#25 ASN  N   21 ASN  O          2.70     # -2.3
#26 ALA  H   24 THR  OG1        1.80     # -2.6  OK +0.30
#26 ALA  N   24 THR  OG1        2.70     # -2.6
#28 GLN  H   19 TYR  O          1.80     # -3.0  lower than SEA005. restrained mobility? +0.20
#28 GLN  N   19 TYR  O          2.70     # -3.0


#Hbonds.upl  (upl = upper distance limit)

6 TRP  H     3 PRO  O          2.20     # -0.2  OK
6 TRP  N     3 PRO  O          3.00     # -0.2
7 GLU  H    20 PHE  O          2.20     # -1.4  OK
7 GLU  N    20 PHE  O          3.00     # -1.4
9 ARG  H    18 TYR  O          2.30     # -4.5  increased from SEA005. Ar sc? +0.30
9 ARG  N    18 TYR  O          3.30     # -4.5
11 PHE  H   16 THR  O          2.00     # -3.4  OK
11 PHE  N   16 THR  O          3.00     # -3.4
14 ASN  H   11 PHE  O          2.30     # ? ol  PDB: should be similar to SEA005. big angle +0.30
14 ASN  N   11 PHE  O          3.30     # ? ol
15 GLY  H   14 ASN  OD1        2.70     # -4.1  bridged with THR16 +0.60
15 GLY  N   14 ASN  OD1        3.60     # -4.1
16 THR  H   14 ASN  OD1        2.60     # -4.9  bridged with GLY15 +0.60
16 THR  N   14 ASN  OD1        3.60     # -4.9
18 TYR  H    9 ARG  O          2.00     # -1.2  OK
18 TYR  N    9 ARG  O          3.00     # -1.2
19 TYR  H   28 GLN  O          2.60     # -5.5  C-terminal mobility or Ar sc? +0.60
19 TYR  N   28 GLN  O          3.60     # -5.5
20 PHE  H    7 GLU  O          2.00     # -1.4  OK
20 PHE  N    7 GLU  O          3.00     # -1.4
21 ASN  H   26 ALA  O          2.30     # -4.5  increased from SEA005. Ar sc? +0.30
21 ASN  N   26 ALA  O          3.30     # -4.5
22 HIS  H    5 GLY  O          2.30     # -1.7  PDB: big angle +0.30
22 HIS  N    5 GLY  O          3.30     # -1.7
23 ILE  H   21 ASN  OD1        2.30     # -5.4  bridged with THR24 +0.30
23 ILE  N   21 ASN  OD1        3.30     # -5.4
24 THR  H   21 ASN  OD1        2.30     # -1.4  bridged with ILE23 +0.30
24 THR  N   21 ASN  OD1        3.30     # -1.4
25 ASN  H   21 ASN  O          2.30     # -2.3  PDB: big angle +0.30
25 ASN  N   21 ASN  O          3.30     # -2.3
26 ALA  H   24 THR  OG1        2.30     # -2.6  OK +0.30
26 ALA  N   24 THR  OG1        3.30     # -2.6
28 GLN  H   19 TYR  O          2.20     # -3.0  lower than SEA005. restrained mobility? +0.20
28 GLN  N   19 TYR  O          3.20     # -3.0


35 0YB H2N 14 ASN HD21 5.00  # 508 0.0366 only 006
35 0YB H1 35 0YB H2N 4.00  # 507 0.1943 only 006
35 0YB H2 35 0YB H2N 4.00  # 506,520 0.1116 only 006
35 0YB H3 35 0YB H2N 4.00  # 410 0.2016 only 006
35 0YB H4 35 0YB H2N 5.00  # 412 0.0455 only 006
35 0YB H2N 35 0YB CME 4.00  # 379,504 0.4517 only 006
35 0YB H1 16 THR H 3.70  # 510 0.0579 only 006
11 PHE QD 35 0YB H5 4.00  # 484 0.1073 only 006
11 PHE QE 35 0YB H3 3.80  # 409 0.0710 only 006
11 PHE QE 35 0YB H5 4.00  # 378,469 0.0651 only 006
35 0YB CME 16 THR QG2 4.00  # 361 0.2167 only 006
35 0YB H2N 16 THR QG2 3.50  # 371,505 0.0968 only 006
35 0YB H1 16 THR QG2 4.00  # 366 0.1392 only 006
35 0YB H3 16 THR QG2 4.00  # 364 0.1260 only 006
35 0YB H3 16 THR HB 4.00  # 408 0.0848 only 006


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   LYS   1           H1       LYS   1 -11.272   4.668   1.942
    2    H2   LYS   1           H2       LYS   1 -10.131   3.534   1.640
    3    H3   LYS   1           H3       LYS   1 -11.731   3.115   1.617
    4    HA   LYS   1           HA       LYS   1 -12.092   4.625  -0.261
    5    HB2  LYS   1           HB2      LYS   1  -9.053   4.717  -0.355
    6    HB3  LYS   1           HB3      LYS   1 -10.144   5.368  -1.561
    7    HG2  LYS   1           HG2      LYS   1 -10.696   7.218  -0.301
    8    HG3  LYS   1           HG3      LYS   1 -10.539   6.384   1.239
    9    HD2  LYS   1           HD2      LYS   1  -8.801   8.038   1.084
   10    HD3  LYS   1           HD3      LYS   1  -8.090   6.424   1.083
   11    HE2  LYS   1           HE2      LYS   1  -7.946   6.588  -1.458
   12    HE3  LYS   1           HE3      LYS   1  -8.461   8.278  -1.315
   13    HZ1  LYS   1           HZ1      LYS   1  -6.482   8.637   0.100
   14    HZ2  LYS   1           HZ2      LYS   1  -6.046   7.051  -0.110
   15    HZ3  LYS   1           HZ3      LYS   1  -6.038   8.056  -1.390
   16    H    LEU   2           H        LEU   2  -9.072   2.710  -0.906
   17    HA   LEU   2           HA       LEU   2 -10.681   0.830  -2.401
   18    HB2  LEU   2           HB2      LEU   2  -7.845   0.253  -1.927
   19    HB3  LEU   2           HB3      LEU   2  -8.833  -0.223  -3.178
   20    HG   LEU   2           HG       LEU   2  -9.057   1.749  -4.349
   21   HD11  LEU   2          HD11      LEU   2  -7.002   3.053  -2.546
   22   HD12  LEU   2          HD12      LEU   2  -7.490   3.624  -4.134
   23   HD13  LEU   2          HD13      LEU   2  -8.671   3.591  -2.843
   24   HD21  LEU   2          HD21      LEU   2  -6.163   0.925  -3.876
   25   HD22  LEU   2          HD22      LEU   2  -7.340   0.105  -4.923
   26   HD23  LEU   2          HD23      LEU   2  -6.802   1.735  -5.318
   27    HA   PRO   3           HA       PRO   3 -11.869  -2.149   0.324
   28    HB2  PRO   3           HB2      PRO   3 -10.106  -4.203  -1.035
   29    HB3  PRO   3           HB3      PRO   3 -11.864  -4.336  -0.663
   30    HG2  PRO   3           HG2      PRO   3 -11.082  -3.766  -3.156
   31    HG3  PRO   3           HG3      PRO   3 -12.361  -2.723  -2.421
   32    HD2  PRO   3           HD2      PRO   3  -9.349  -2.237  -2.454
   33    HD3  PRO   3           HD3      PRO   3 -10.617  -1.139  -3.021
   34    HA   PRO   4           HA       PRO   4  -9.359  -3.710   3.754
   35    HB2  PRO   4           HB2      PRO   4 -11.257  -6.061   3.558
   36    HB3  PRO   4           HB3      PRO   4 -10.743  -5.153   5.016
   37    HG2  PRO   4           HG2      PRO   4 -13.178  -4.703   3.914
   38    HG3  PRO   4           HG3      PRO   4 -12.175  -3.323   4.470
   39    HD2  PRO   4           HD2      PRO   4 -12.538  -4.369   1.656
   40    HD3  PRO   4           HD3      PRO   4 -12.528  -2.679   2.253
   41    H    GLY   5           H        GLY   5  -7.579  -5.128   3.805
   42    HA2  GLY   5           HA2      GLY   5  -6.434  -7.177   2.900
   43    HA3  GLY   5           HA3      GLY   5  -7.201  -6.821   1.368
   44    H    TRP   6           H        TRP   6  -6.824  -3.776   1.226
   45    HA   TRP   6           HA       TRP   6  -4.014  -3.769   0.612
   46    HB2  TRP   6           HB2      TRP   6  -6.012  -1.570   1.051
   47    HB3  TRP   6           HB3      TRP   6  -4.390  -1.359   0.446
   48    HD1  TRP   6           HD1      TRP   6  -7.754  -1.807  -0.834
   49    HE1  TRP   6           HE1      TRP   6  -7.680  -1.981  -3.370
   50    HE3  TRP   6           HE3      TRP   6  -2.775  -2.260  -1.399
   51    HZ2  TRP   6           HZ2      TRP   6  -5.692  -2.355  -5.438
   52    HZ3  TRP   6           HZ3      TRP   6  -1.790  -2.233  -3.618
   53    HH2  TRP   6           HH2      TRP   6  -3.205  -2.358  -5.684
   54    H    GLU   7           H        GLU   7  -2.290  -3.191   1.687
   55    HA   GLU   7           HA       GLU   7  -2.440  -1.934   4.395
   56    HB2  GLU   7           HB2      GLU   7  -2.459  -4.444   4.456
   57    HB3  GLU   7           HB3      GLU   7  -0.927  -4.442   3.574
   58    HG2  GLU   7           HG2      GLU   7   0.136  -3.236   5.492
   59    HG3  GLU   7           HG3      GLU   7  -1.413  -3.288   6.356
   60    H    LYS   8           H        LYS   8  -0.520  -0.699   4.954
   61    HA   LYS   8           HA       LYS   8   0.917   0.394   2.748
   62    HB2  LYS   8           HB2      LYS   8   0.434   1.561   4.905
   63    HB3  LYS   8           HB3      LYS   8   1.684   0.589   5.690
   64    HG2  LYS   8           HG2      LYS   8   3.372   1.529   4.116
   65    HG3  LYS   8           HG3      LYS   8   2.126   2.453   3.297
   66    HD2  LYS   8           HD2      LYS   8   2.656   2.864   6.271
   67    HD3  LYS   8           HD3      LYS   8   3.704   3.564   5.048
   68    HE2  LYS   8           HE2      LYS   8   2.249   5.310   5.432
   69    HE3  LYS   8           HE3      LYS   8   1.617   4.574   3.962
   70    HZ1  LYS   8           HZ1      LYS   8   0.526   4.325   6.707
   71    HZ2  LYS   8           HZ2      LYS   8  -0.217   4.978   5.376
   72    HZ3  LYS   8           HZ3      LYS   8   0.003   3.382   5.453
   73    H    ARG   9           H        ARG   9   3.002   0.220   2.059
   74    HA   ARG   9           HA       ARG   9   4.659  -2.048   3.009
   75    HB2  ARG   9           HB2      ARG   9   2.805  -2.625   1.207
   76    HB3  ARG   9           HB3      ARG   9   3.828  -1.745   0.090
   77    HG2  ARG   9           HG2      ARG   9   4.249  -4.100  -0.125
   78    HG3  ARG   9           HG3      ARG   9   5.671  -3.367   0.584
   79    HD2  ARG   9           HD2      ARG   9   5.362  -5.359   1.790
   80    HD3  ARG   9           HD3      ARG   9   4.801  -4.118   2.891
   81    HE   ARG   9           HE       ARG   9   3.096  -6.003   1.310
   82   HH11  ARG   9          HH11      ARG   9   2.823  -3.680   4.084
   83   HH12  ARG   9          HH12      ARG   9   1.847  -4.907   4.885
   84   HH21  ARG   9          HH21      ARG   9   1.594  -7.211   2.587
   85   HH22  ARG   9          HH22      ARG   9   1.125  -6.444   4.123
   86    H    MET  10           H        MET  10   6.890  -1.955   2.223
   87    HA   MET  10           HA       MET  10   7.695   0.723   1.224
   88    HB2  MET  10           HB2      MET  10   7.713   0.683   3.732
   89    HB3  MET  10           HB3      MET  10   8.915  -0.613   3.655
   90    HG2  MET  10           HG2      MET  10  10.295   1.022   2.181
   91    HG3  MET  10           HG3      MET  10   9.196   2.268   2.717
   92    HE1  MET  10           HE1      MET  10   9.224   3.416   4.976
   93    HE2  MET  10           HE2      MET  10   8.592   1.912   5.690
   94    HE3  MET  10           HE3      MET  10   9.969   2.745   6.444
   95    H    PHE  11           H        PHE  11   9.255   0.754  -0.205
   96    HA   PHE  11           HA       PHE  11  10.476  -1.687  -1.223
   97    HB2  PHE  11           HB2      PHE  11  10.657   1.242  -1.965
   98    HB3  PHE  11           HB3      PHE  11  11.433  -0.057  -2.852
   99    HD1  PHE  11           HD2      PHE  11   9.906  -2.022  -3.672
  100    HD2  PHE  11           HD1      PHE  11   8.389   1.880  -2.564
  101    HE1  PHE  11           HE2      PHE  11   7.980  -2.314  -5.209
  102    HE2  PHE  11           HE1      PHE  11   6.614   1.655  -4.252
  103    HZ   PHE  11           HZ       PHE  11   6.377  -0.452  -5.542
  104    H    ARG  12           H        ARG  12  11.901  -2.449   0.280
  105    HA   ARG  12           HA       ARG  12  14.058  -0.958   1.486
  106    HB2  ARG  12           HB2      ARG  12  13.685  -3.904   0.785
  107    HB3  ARG  12           HB3      ARG  12  15.160  -3.287   1.518
  108    HG2  ARG  12           HG2      ARG  12  13.734  -4.236   3.218
  109    HG3  ARG  12           HG3      ARG  12  13.947  -2.505   3.493
  110    HD2  ARG  12           HD2      ARG  12  11.705  -2.031   2.690
  111    HD3  ARG  12           HD3      ARG  12  11.505  -3.711   2.137
  112    HE   ARG  12           HE       ARG  12  12.080  -3.580   4.956
  113   HH11  ARG  12          HH11      ARG  12   9.399  -3.043   2.721
  114   HH12  ARG  12          HH12      ARG  12   8.226  -3.632   3.891
  115   HH21  ARG  12          HH21      ARG  12  10.505  -4.162   6.419
  116   HH22  ARG  12          HH22      ARG  12   8.832  -4.135   5.963
  117    H    SER  13           H        SER  13  16.221  -0.857   0.839
  118    HA   SER  13           HA       SER  13  17.964  -0.427  -0.479
  119    HB2  SER  13           HB2      SER  13  18.308  -1.147  -2.698
  120    HB3  SER  13           HB3      SER  13  17.527  -2.469  -1.815
  121    HG   SER  13           HG       SER  13  15.515  -1.668  -2.686
  122    H    ASN  14           H        ASN  14  14.826   1.012  -1.127
  123    HA   ASN  14           HA       ASN  14  16.441   3.433  -1.680
  124    HB2  ASN  14           HB2      ASN  14  15.237   4.213  -3.513
  125    HB3  ASN  14           HB3      ASN  14  15.673   2.552  -3.876
  126   HD21  ASN  14          HD21      ASN  14  14.038   2.559  -5.523
  127    H    GLY  15           H        GLY  15  13.510   2.128  -0.212
  128    HA2  GLY  15           HA2      GLY  15  12.816   2.929   1.898
  129    HA3  GLY  15           HA3      GLY  15  13.531   4.510   1.569
  130    H    THR  16           H        THR  16  11.859   3.524  -1.171
  131    HA   THR  16           HA       THR  16   9.725   5.442  -0.904
  132    HB   THR  16           HB       THR  16  10.039   3.107  -2.824
  133    HG1  THR  16           HG1      THR  16  11.724   4.308  -2.978
  134   HG21  THR  16          HG21      THR  16   8.325   5.603  -3.103
  135   HG22  THR  16          HG22      THR  16   8.704   4.464  -4.414
  136   HG23  THR  16          HG23      THR  16   7.752   3.913  -3.047
  137    H    VAL  17           H        VAL  17   7.382   4.799  -1.114
  138    HA   VAL  17           HA       VAL  17   6.637   2.523   0.601
  139    HB   VAL  17           HB       VAL  17   6.084   5.437   1.209
  140   HG11  VAL  17          HG11      VAL  17   4.499   3.073   2.297
  141   HG12  VAL  17          HG12      VAL  17   4.465   4.730   2.941
  142   HG13  VAL  17          HG13      VAL  17   3.859   4.417   1.319
  143   HG21  VAL  17          HG21      VAL  17   6.782   4.751   3.478
  144   HG22  VAL  17          HG22      VAL  17   6.919   3.064   2.937
  145   HG23  VAL  17          HG23      VAL  17   8.029   4.309   2.306
  146    H    TYR  18           H        TYR  18   4.561   1.829   0.269
  147    HA   TYR  18           HA       TYR  18   2.760   3.009  -1.671
  148    HB2  TYR  18           HB2      TYR  18   2.879   1.281  -3.313
  149    HB3  TYR  18           HB3      TYR  18   4.466   1.968  -3.141
  150    HD1  TYR  18           HD1      TYR  18   6.061   0.600  -1.381
  151    HD2  TYR  18           HD2      TYR  18   2.737  -0.976  -3.628
  152    HE1  TYR  18           HE1      TYR  18   7.085  -1.640  -1.288
  153    HE2  TYR  18           HE2      TYR  18   3.768  -3.262  -3.502
  154    HH   TYR  18           HH       TYR  18   6.996  -3.790  -2.193
  155    H    TYR  19           H        TYR  19   1.160   0.695  -2.160
  156    HA   TYR  19           HA       TYR  19   0.651  -0.475   0.486
  157    HB2  TYR  19           HB2      TYR  19  -1.209   1.192  -1.179
  158    HB3  TYR  19           HB3      TYR  19  -1.856  -0.292  -0.515
  159    HD1  TYR  19           HD2      TYR  19   0.176   2.661   0.639
  160    HD2  TYR  19           HD1      TYR  19  -2.836  -0.258   1.600
  161    HE1  TYR  19           HE2      TYR  19  -0.159   3.719   2.856
  162    HE2  TYR  19           HE1      TYR  19  -3.244   0.870   3.782
  163    HH   TYR  19           HH       TYR  19  -1.889   4.002   4.583
  164    H    PHE  20           H        PHE  20  -0.207  -2.492   0.411
  165    HA   PHE  20           HA       PHE  20  -0.131  -3.963  -2.185
  166    HB2  PHE  20           HB2      PHE  20   1.978  -4.061  -0.920
  167    HB3  PHE  20           HB3      PHE  20   1.126  -4.684   0.490
  168    HD1  PHE  20           HD2      PHE  20   0.137  -7.001   0.453
  169    HD2  PHE  20           HD1      PHE  20   2.509  -5.471  -2.808
  170    HE1  PHE  20           HE2      PHE  20   0.383  -9.305  -0.468
  171    HE2  PHE  20           HE1      PHE  20   2.658  -7.764  -3.767
  172    HZ   PHE  20           HZ       PHE  20   1.574  -9.673  -2.593
  173    H    ASN  21           H        ASN  21  -1.847  -5.267  -2.462
  174    HA   ASN  21           HA       ASN  21  -3.751  -5.565  -0.221
  175    HB2  ASN  21           HB2      ASN  21  -4.497  -4.843  -2.546
  176    HB3  ASN  21           HB3      ASN  21  -4.155  -6.480  -3.058
  177   HD21  ASN  21          HD22      ASN  21  -6.648  -4.488  -1.861
  178   HD22  ASN  21          HD21      ASN  21  -7.602  -5.785  -1.157
  179    H    HIS  22           H        HIS  22  -2.961  -7.114   1.190
  180    HA   HIS  22           HA       HIS  22  -1.705  -9.524   0.046
  181    HB2  HIS  22           HB2      HIS  22  -1.371 -10.225   2.362
  182    HB3  HIS  22           HB3      HIS  22  -0.708  -8.652   1.998
  183    HD2  HIS  22           HD2      HIS  22  -1.254  -6.738   3.575
  184    HE1  HIS  22           HE1      HIS  22  -4.085  -8.735   6.038
  185    HE2  HIS  22           HE2      HIS  22  -2.445  -6.741   5.876
  186    H    ILE  23           H        ILE  23  -4.877  -8.748   0.148
  187    HA   ILE  23           HA       ILE  23  -5.766 -11.557   0.548
  188    HB   ILE  23           HB       ILE  23  -7.143  -8.872   0.439
  189   HG12  ILE  23          HG12      ILE  23  -7.060 -11.184   2.425
  190   HG13  ILE  23          HG13      ILE  23  -6.243  -9.633   2.581
  191   HG21  ILE  23          HG21      ILE  23  -9.313  -9.914   0.476
  192   HG22  ILE  23          HG22      ILE  23  -8.483 -10.284  -1.028
  193   HG23  ILE  23          HG23      ILE  23  -8.579 -11.529   0.248
  194   HD11  ILE  23          HD11      ILE  23  -9.223 -10.175   2.774
  195   HD12  ILE  23          HD12      ILE  23  -8.130  -9.553   4.018
  196   HD13  ILE  23          HD13      ILE  23  -8.551  -8.536   2.626
  197    H    THR  24           H        THR  24  -5.425  -9.069  -2.024
  198    HA   THR  24           HA       THR  24  -6.186 -11.155  -4.032
  199    HB   THR  24           HB       THR  24  -6.449  -9.398  -5.611
  200    HG1  THR  24           HG1      THR  24  -6.164  -7.234  -4.939
  201   HG21  THR  24          HG21      THR  24  -8.278  -8.115  -4.675
  202   HG22  THR  24          HG22      THR  24  -8.344  -9.758  -4.012
  203   HG23  THR  24          HG23      THR  24  -7.719  -8.425  -3.017
  204    H    ASN  25           H        ASN  25  -3.421  -9.462  -2.936
  205    HA   ASN  25           HA       ASN  25  -1.228  -9.671  -3.279
  206    HB2  ASN  25           HB2      ASN  25  -1.668 -11.144  -5.903
  207    HB3  ASN  25           HB3      ASN  25  -0.154 -10.928  -5.043
  208   HD21  ASN  25          HD22      ASN  25  -3.241 -12.603  -5.003
  209   HD22  ASN  25          HD21      ASN  25  -2.715 -13.846  -3.845
  210    H    ALA  26           H        ALA  26  -3.341  -7.738  -4.786
  211    HA   ALA  26           HA       ALA  26  -1.767  -6.559  -6.873
  212    HB1  ALA  26           HB1      ALA  26  -3.402  -4.739  -6.735
  213    HB2  ALA  26           HB2      ALA  26  -4.225  -6.303  -6.609
  214    HB3  ALA  26           HB3      ALA  26  -3.952  -5.317  -5.151
  215    H    SER  27           H        SER  27  -0.923  -4.269  -6.881
  216    HA   SER  27           HA       SER  27  -0.038  -3.144  -4.303
  217    HB2  SER  27           HB2      SER  27   2.154  -2.531  -5.402
  218    HB3  SER  27           HB3      SER  27   1.956  -4.151  -4.742
  219    HG   SER  27           HG       SER  27   1.568  -4.896  -6.853
  220    H    GLN  28           H        GLN  28  -0.027  -0.940  -4.304
  221    HA   GLN  28           HA       GLN  28  -0.340   0.663  -6.747
  222    HB2  GLN  28           HB2      GLN  28  -2.648  -0.024  -6.341
  223    HB3  GLN  28           HB3      GLN  28  -2.517   0.365  -4.626
  224    HG2  GLN  28           HG2      GLN  28  -3.847   2.007  -5.927
  225    HG3  GLN  28           HG3      GLN  28  -2.495   2.715  -5.061
  226   HE21  GLN  28          HE22      GLN  28  -3.424   1.566  -8.407
  227   HE22  GLN  28          HE21      GLN  28  -2.360   2.752  -9.147
  228    H    PHE  29           H        PHE  29   0.184   2.946  -6.257
  229    HA   PHE  29           HA       PHE  29   1.800   3.129  -3.764
  230    HB2  PHE  29           HB2      PHE  29   1.765   4.747  -6.304
  231    HB3  PHE  29           HB3      PHE  29   2.624   5.230  -4.853
  232    HD1  PHE  29           HD2      PHE  29   2.685   1.539  -5.711
  233    HD2  PHE  29           HD1      PHE  29   4.706   5.367  -6.065
  234    HE1  PHE  29           HE2      PHE  29   4.625   0.439  -6.644
  235    HE2  PHE  29           HE1      PHE  29   6.705   4.194  -6.928
  236    HZ   PHE  29           HZ       PHE  29   6.666   1.731  -7.246
  237    H    GLU  30           H        GLU  30  -1.118   4.590  -5.262
  238    HA   GLU  30           HA       GLU  30  -1.365   6.480  -3.046
  239    HB2  GLU  30           HB2      GLU  30  -2.627   6.246  -5.493
  240    HB3  GLU  30           HB3      GLU  30  -3.899   5.762  -4.384
  241    HG2  GLU  30           HG2      GLU  30  -2.256   8.340  -4.257
  242    HG3  GLU  30           HG3      GLU  30  -3.883   8.201  -4.913
  243    H    ARG  31           H        ARG  31  -2.756   6.364  -1.379
  244    HA   ARG  31           HA       ARG  31  -2.741   3.669  -0.131
  245    HB2  ARG  31           HB2      ARG  31  -3.129   6.361   1.211
  246    HB3  ARG  31           HB3      ARG  31  -2.794   4.809   1.969
  247    HG2  ARG  31           HG2      ARG  31  -0.641   5.536   1.930
  248    HG3  ARG  31           HG3      ARG  31  -0.645   4.898   0.286
  249    HD2  ARG  31           HD2      ARG  31   0.381   7.055   0.313
  250    HD3  ARG  31           HD3      ARG  31  -1.178   7.265  -0.485
  251    HE   ARG  31           HE       ARG  31  -0.791   7.750   2.461
  252   HH11  ARG  31          HH11      ARG  31  -2.499   8.913  -0.454
  253   HH12  ARG  31          HH12      ARG  31  -3.049  10.306   0.449
  254   HH21  ARG  31          HH21      ARG  31  -1.726   9.091   3.440
  255   HH22  ARG  31          HH22      ARG  31  -2.689  10.411   2.741
  256    HA   PRO  32           HA       PRO  32  -7.302   3.337  -0.416
  257    HB2  PRO  32           HB2      PRO  32  -6.433   1.057   1.366
  258    HB3  PRO  32           HB3      PRO  32  -7.820   1.134   0.243
  259    HG2  PRO  32           HG2      PRO  32  -5.763   0.070  -0.777
  260    HG3  PRO  32           HG3      PRO  32  -6.257   1.396  -1.669
  261    HD2  PRO  32           HD2      PRO  32  -4.092   1.553   0.425
  262    HD3  PRO  32           HD3      PRO  32  -4.045   2.118  -1.275
  263    H    SER  33           H        SER  33  -5.361   3.412   2.510
  264    HA   SER  33           HA       SER  33  -7.573   4.817   3.953
  265    HB2  SER  33           HB2      SER  33  -6.376   4.199   6.041
  266    HB3  SER  33           HB3      SER  33  -7.001   2.812   5.126
  267    HG   SER  33           HG       SER  33  -4.840   2.470   5.814
  268    H    GLY  34           H        GLY  34  -4.058   4.851   4.557
  269    HA2  GLY  34           HA2      GLY  34  -3.728   7.613   3.604
  270    HA3  GLY  34           HA3      GLY  34  -3.734   7.425   5.358
  271    H1   NAG 101           H1       NAG  35  11.275   2.198  -4.477
  272    H2   NAG 101           H2       NAG  35  12.154   3.141  -7.263
  273    H3   NAG 101           H3       NAG  35   9.342   2.442  -6.271
  274    H4   NAG 101           H4       NAG  35  11.145   1.008  -8.296
  275    H5   NAG 101           H5       NAG  35  10.182   0.207  -5.528
  276    H61  NAG 101           H61      NAG  35  10.350  -1.836  -6.855
  277    H62  NAG 101           H62      NAG  35  11.897  -1.305  -7.545
  278    H81  NAG 101           H2M      NAG  35  11.649   7.051  -5.461
  279    H82  NAG 101           H3M      NAG  35   9.882   6.843  -5.504
  280    H83  NAG 101           H1M      NAG  35  10.718   7.640  -6.856
  281    HN2  NAG 101           H2N      NAG  35  11.075   4.591  -4.987
  282    HO3  NAG 101           H3O      NAG  35  10.077   4.043  -8.241
  283    HO4  NAG 101           H4O      NAG  35   8.802   1.192  -8.491
  284    HO6  NAG 101           H6O      NAG  35  12.588  -1.157  -5.247
  Start of MODEL    2
    1    H1   LYS   1           H1       LYS   1  -3.678  -1.272   6.795
    2    H2   LYS   1           H2       LYS   1  -4.580  -2.565   6.348
    3    H3   LYS   1           H3       LYS   1  -3.581  -2.651   7.656
    4    HA   LYS   1           HA       LYS   1  -5.895  -2.376   8.413
    5    HB2  LYS   1           HB2      LYS   1  -4.042  -0.008   8.836
    6    HB3  LYS   1           HB3      LYS   1  -5.511  -0.258   9.772
    7    HG2  LYS   1           HG2      LYS   1  -4.729  -2.114  10.903
    8    HG3  LYS   1           HG3      LYS   1  -3.492  -2.499   9.727
    9    HD2  LYS   1           HD2      LYS   1  -3.445  -0.071  11.569
   10    HD3  LYS   1           HD3      LYS   1  -2.578  -1.577  11.869
   11    HE2  LYS   1           HE2      LYS   1  -2.134   0.246   9.458
   12    HE3  LYS   1           HE3      LYS   1  -1.134   0.241  10.909
   13    HZ1  LYS   1           HZ1      LYS   1  -0.350  -1.921  10.390
   14    HZ2  LYS   1           HZ2      LYS   1  -1.528  -2.205   9.262
   15    HZ3  LYS   1           HZ3      LYS   1  -0.397  -1.184   8.890
   16    H    LEU   2           H        LEU   2  -6.599  -2.147   5.870
   17    HA   LEU   2           HA       LEU   2  -8.140   0.231   5.420
   18    HB2  LEU   2           HB2      LEU   2  -5.567  -0.405   3.982
   19    HB3  LEU   2           HB3      LEU   2  -6.875   0.348   3.083
   20    HG   LEU   2           HG       LEU   2  -5.504   1.470   5.561
   21   HD11  LEU   2          HD11      LEU   2  -5.587   2.692   2.840
   22   HD12  LEU   2          HD12      LEU   2  -4.448   2.985   4.154
   23   HD13  LEU   2          HD13      LEU   2  -4.391   1.477   3.209
   24   HD21  LEU   2          HD21      LEU   2  -6.794   3.562   4.988
   25   HD22  LEU   2          HD22      LEU   2  -7.763   2.612   3.843
   26   HD23  LEU   2          HD23      LEU   2  -7.826   2.288   5.601
   27    HA   PRO   3           HA       PRO   3 -11.024  -2.312   3.708
   28    HB2  PRO   3           HB2      PRO   3 -10.470  -1.746   0.793
   29    HB3  PRO   3           HB3      PRO   3 -12.044  -1.771   1.650
   30    HG2  PRO   3           HG2      PRO   3 -10.866   0.589   1.145
   31    HG3  PRO   3           HG3      PRO   3 -11.568   0.282   2.769
   32    HD2  PRO   3           HD2      PRO   3  -8.688   0.129   1.899
   33    HD3  PRO   3           HD3      PRO   3  -9.362   0.852   3.366
   34    HA   PRO   4           HA       PRO   4 -10.136  -6.415   3.388
   35    HB2  PRO   4           HB2      PRO   4 -11.513  -6.690   0.776
   36    HB3  PRO   4           HB3      PRO   4 -11.544  -7.822   2.164
   37    HG2  PRO   4           HG2      PRO   4 -13.565  -6.026   1.892
   38    HG3  PRO   4           HG3      PRO   4 -12.827  -6.309   3.499
   39    HD2  PRO   4           HD2      PRO   4 -12.437  -4.005   1.627
   40    HD3  PRO   4           HD3      PRO   4 -12.447  -4.024   3.416
   41    H    GLY   5           H        GLY   5  -8.208  -6.575   3.338
   42    HA2  GLY   5           HA2      GLY   5  -6.352  -7.933   2.472
   43    HA3  GLY   5           HA3      GLY   5  -6.637  -7.237   0.899
   44    H    TRP   6           H        TRP   6  -6.821  -4.341   2.160
   45    HA   TRP   6           HA       TRP   6  -4.114  -3.858   1.366
   46    HB2  TRP   6           HB2      TRP   6  -6.095  -2.043   2.633
   47    HB3  TRP   6           HB3      TRP   6  -4.588  -1.497   1.961
   48    HD1  TRP   6           HD1      TRP   6  -8.021  -1.736   1.159
   49    HE1  TRP   6           HE1      TRP   6  -8.458  -1.141  -1.233
   50    HE3  TRP   6           HE3      TRP   6  -3.268  -2.181  -0.529
   51    HZ2  TRP   6           HZ2      TRP   6  -6.890  -0.987  -3.739
   52    HZ3  TRP   6           HZ3      TRP   6  -2.710  -1.578  -2.854
   53    HH2  TRP   6           HH2      TRP   6  -4.511  -1.050  -4.498
   54    H    GLU   7           H        GLU   7  -2.304  -3.733   2.324
   55    HA   GLU   7           HA       GLU   7  -2.084  -2.448   4.949
   56    HB2  GLU   7           HB2      GLU   7  -2.196  -4.883   5.421
   57    HB3  GLU   7           HB3      GLU   7  -0.772  -5.141   4.417
   58    HG2  GLU   7           HG2      GLU   7  -0.302  -5.059   6.881
   59    HG3  GLU   7           HG3      GLU   7   0.609  -3.865   5.957
   60    H    LYS   8           H        LYS   8  -0.139  -1.394   5.349
   61    HA   LYS   8           HA       LYS   8   0.992  -0.148   3.058
   62    HB2  LYS   8           HB2      LYS   8   0.580   0.820   5.347
   63    HB3  LYS   8           HB3      LYS   8   2.049   0.018   5.901
   64    HG2  LYS   8           HG2      LYS   8   3.359   1.316   4.216
   65    HG3  LYS   8           HG3      LYS   8   1.878   2.059   3.613
   66    HD2  LYS   8           HD2      LYS   8   2.841   2.318   6.488
   67    HD3  LYS   8           HD3      LYS   8   3.287   3.466   5.233
   68    HE2  LYS   8           HE2      LYS   8   0.361   2.854   5.793
   69    HE3  LYS   8           HE3      LYS   8   1.243   3.969   6.828
   70    HZ1  LYS   8           HZ1      LYS   8  -0.008   4.957   4.880
   71    HZ2  LYS   8           HZ2      LYS   8   1.557   5.446   5.052
   72    HZ3  LYS   8           HZ3      LYS   8   1.147   4.335   3.904
   73    H    ARG   9           H        ARG   9   3.075  -0.064   2.246
   74    HA   ARG   9           HA       ARG   9   4.938  -2.263   2.936
   75    HB2  ARG   9           HB2      ARG   9   3.044  -2.746   1.074
   76    HB3  ARG   9           HB3      ARG   9   4.104  -1.827   0.050
   77    HG2  ARG   9           HG2      ARG   9   4.351  -4.282  -0.125
   78    HG3  ARG   9           HG3      ARG   9   5.865  -3.509   0.306
   79    HD2  ARG   9           HD2      ARG   9   5.213  -5.712   1.521
   80    HD3  ARG   9           HD3      ARG   9   5.897  -4.389   2.453
   81    HE   ARG   9           HE       ARG   9   3.737  -3.832   3.348
   82   HH11  ARG   9          HH11      ARG   9   3.476  -6.864   1.598
   83   HH12  ARG   9          HH12      ARG   9   1.933  -7.211   2.332
   84   HH21  ARG   9          HH22      ARG   9   1.929  -4.200   4.107
   85   HH22  ARG   9          HH21      ARG   9   1.005  -5.657   3.757
   86    H    MET  10           H        MET  10   7.101  -1.986   2.127
   87    HA   MET  10           HA       MET  10   7.754   0.786   1.306
   88    HB2  MET  10           HB2      MET  10   7.872   0.477   3.834
   89    HB3  MET  10           HB3      MET  10   9.148  -0.711   3.546
   90    HG2  MET  10           HG2      MET  10  10.283   1.247   2.166
   91    HG3  MET  10           HG3      MET  10   9.140   2.270   3.009
   92    HE1  MET  10           HE1      MET  10  11.451  -0.849   3.993
   93    HE2  MET  10           HE2      MET  10  12.419   0.310   3.050
   94    HE3  MET  10           HE3      MET  10  12.772   0.046   4.774
   95    H    PHE  11           H        PHE  11   9.396   0.962  -0.098
   96    HA   PHE  11           HA       PHE  11  10.541  -1.468  -1.246
   97    HB2  PHE  11           HB2      PHE  11  10.638   1.464  -1.926
   98    HB3  PHE  11           HB3      PHE  11  11.493   0.237  -2.841
   99    HD1  PHE  11           HD1      PHE  11  10.100  -1.828  -3.650
  100    HD2  PHE  11           HD2      PHE  11   8.306   1.954  -2.546
  101    HE1  PHE  11           HE1      PHE  11   8.219  -2.254  -5.205
  102    HE2  PHE  11           HE2      PHE  11   6.533   1.580  -4.222
  103    HZ   PHE  11           HZ       PHE  11   6.469  -0.544  -5.511
  104    H    ARG  12           H        ARG  12  12.115  -2.334  -0.070
  105    HA   ARG  12           HA       ARG  12  14.294  -1.048   1.190
  106    HB2  ARG  12           HB2      ARG  12  15.503  -3.230   0.842
  107    HB3  ARG  12           HB3      ARG  12  13.945  -3.310   1.627
  108    HG2  ARG  12           HG2      ARG  12  13.545  -5.034   0.313
  109    HG3  ARG  12           HG3      ARG  12  13.132  -3.874  -0.925
  110    HD2  ARG  12           HD2      ARG  12  15.860  -5.191  -0.548
  111    HD3  ARG  12           HD3      ARG  12  14.621  -5.747  -1.667
  112    HE   ARG  12           HE       ARG  12  16.486  -3.561  -2.090
  113   HH11  ARG  12          HH22      ARG  12  13.185  -4.448  -3.082
  114   HH12  ARG  12          HH21      ARG  12  13.334  -3.303  -4.426
  115   HH21  ARG  12          HH11      ARG  12  16.543  -2.460  -3.868
  116   HH22  ARG  12          HH12      ARG  12  15.109  -2.357  -4.920
  117    H    SER  13           H        SER  13  16.518  -0.911   0.508
  118    HA   SER  13           HA       SER  13  18.130   0.079  -0.680
  119    HB2  SER  13           HB2      SER  13  16.769  -0.574  -3.285
  120    HB3  SER  13           HB3      SER  13  18.477  -0.271  -2.993
  121    HG   SER  13           HG       SER  13  18.669  -2.221  -1.991
  122    H    ASN  14           H        ASN  14  14.864   1.394  -1.073
  123    HA   ASN  14           HA       ASN  14  16.331   3.945  -1.421
  124    HB2  ASN  14           HB2      ASN  14  15.008   4.806  -3.186
  125    HB3  ASN  14           HB3      ASN  14  15.684   3.267  -3.693
  126   HD21  ASN  14          HD21      ASN  14  14.104   3.043  -5.347
  127    H    GLY  15           H        GLY  15  13.441   2.391  -0.074
  128    HA2  GLY  15           HA2      GLY  15  12.560   3.103   1.987
  129    HA3  GLY  15           HA3      GLY  15  13.285   4.701   1.784
  130    H    THR  16           H        THR  16  11.742   3.754  -1.081
  131    HA   THR  16           HA       THR  16   9.524   5.595  -0.911
  132    HB   THR  16           HB       THR  16   9.961   3.208  -2.739
  133    HG1  THR  16           HG1      THR  16  11.605   4.463  -2.927
  134   HG21  THR  16          HG21      THR  16   8.610   4.304  -4.396
  135   HG22  THR  16          HG22      THR  16   7.634   3.978  -2.979
  136   HG23  THR  16          HG23      THR  16   8.229   5.637  -3.268
  137    H    VAL  17           H        VAL  17   7.187   4.830  -1.084
  138    HA   VAL  17           HA       VAL  17   6.563   2.530   0.644
  139    HB   VAL  17           HB       VAL  17   5.982   5.407   1.359
  140   HG11  VAL  17          HG11      VAL  17   4.430   3.005   2.412
  141   HG12  VAL  17          HG12      VAL  17   4.406   4.641   3.104
  142   HG13  VAL  17          HG13      VAL  17   3.765   4.375   1.487
  143   HG21  VAL  17          HG21      VAL  17   6.727   4.644   3.592
  144   HG22  VAL  17          HG22      VAL  17   6.860   2.978   2.988
  145   HG23  VAL  17          HG23      VAL  17   7.953   4.250   2.382
  146    H    TYR  18           H        TYR  18   4.551   1.754   0.395
  147    HA   TYR  18           HA       TYR  18   2.610   2.878  -1.452
  148    HB2  TYR  18           HB2      TYR  18   2.750   1.168  -3.111
  149    HB3  TYR  18           HB3      TYR  18   4.307   1.925  -2.988
  150    HD1  TYR  18           HD1      TYR  18   6.040   0.624  -1.308
  151    HD2  TYR  18           HD2      TYR  18   2.664  -1.132  -3.364
  152    HE1  TYR  18           HE1      TYR  18   7.187  -1.563  -1.328
  153    HE2  TYR  18           HE2      TYR  18   3.832  -3.316  -3.388
  154    HH   TYR  18           HH       TYR  18   5.858  -4.386  -3.038
  155    H    TYR  19           H        TYR  19   1.032   0.650  -1.905
  156    HA   TYR  19           HA       TYR  19   0.714  -0.710   0.715
  157    HB2  TYR  19           HB2      TYR  19  -1.142   1.102  -0.698
  158    HB3  TYR  19           HB3      TYR  19  -1.857  -0.445  -0.377
  159    HD1  TYR  19           HD1      TYR  19  -0.073   2.353   1.197
  160    HD2  TYR  19           HD2      TYR  19  -2.407  -1.163   1.857
  161    HE1  TYR  19           HE1      TYR  19  -0.690   3.206   3.464
  162    HE2  TYR  19           HE2      TYR  19  -2.869  -0.444   4.205
  163    HH   TYR  19           HH       TYR  19  -1.950   2.771   5.444
  164    H    PHE  20           H        PHE  20  -0.249  -2.699   0.669
  165    HA   PHE  20           HA       PHE  20  -0.305  -4.113  -1.949
  166    HB2  PHE  20           HB2      PHE  20   1.786  -4.336  -0.657
  167    HB3  PHE  20           HB3      PHE  20   0.892  -4.986   0.708
  168    HD1  PHE  20           HD2      PHE  20  -0.227  -7.244   0.518
  169    HD2  PHE  20           HD1      PHE  20   2.359  -5.689  -2.560
  170    HE1  PHE  20           HE2      PHE  20   0.001  -9.529  -0.468
  171    HE2  PHE  20           HE1      PHE  20   2.485  -7.954  -3.592
  172    HZ   PHE  20           HZ       PHE  20   1.287  -9.865  -2.535
  173    H    ASN  21           H        ASN  21  -2.110  -5.269  -2.246
  174    HA   ASN  21           HA       ASN  21  -4.032  -5.543  -0.009
  175    HB2  ASN  21           HB2      ASN  21  -4.817  -4.543  -2.194
  176    HB3  ASN  21           HB3      ASN  21  -4.409  -6.066  -2.962
  177   HD21  ASN  21          HD22      ASN  21  -6.796  -4.355  -1.023
  178   HD22  ASN  21          HD21      ASN  21  -7.796  -5.771  -0.731
  179    H    HIS  22           H        HIS  22  -3.299  -7.286   1.224
  180    HA   HIS  22           HA       HIS  22  -2.070  -9.609   0.010
  181    HB2  HIS  22           HB2      HIS  22  -1.908 -10.445   2.286
  182    HB3  HIS  22           HB3      HIS  22  -1.365  -8.782   2.181
  183    HD2  HIS  22           HD2      HIS  22  -2.083  -7.416   4.235
  184    HE1  HIS  22           HE1      HIS  22  -5.762  -9.355   5.170
  185    HE2  HIS  22           HE2      HIS  22  -4.130  -7.520   5.880
  186    H    ILE  23           H        ILE  23  -5.324  -8.892  -0.082
  187    HA   ILE  23           HA       ILE  23  -6.120 -11.761   0.168
  188    HB   ILE  23           HB       ILE  23  -7.586  -9.130   0.215
  189   HG12  ILE  23          HG12      ILE  23  -7.564 -11.671   1.924
  190   HG13  ILE  23          HG13      ILE  23  -6.773 -10.152   2.308
  191   HG21  ILE  23          HG21      ILE  23  -9.742 -10.215   0.051
  192   HG22  ILE  23          HG22      ILE  23  -8.847 -10.397  -1.445
  193   HG23  ILE  23          HG23      ILE  23  -8.960 -11.777  -0.321
  194   HD11  ILE  23          HD11      ILE  23  -8.719 -10.270   3.661
  195   HD12  ILE  23          HD12      ILE  23  -9.096  -9.087   2.395
  196   HD13  ILE  23          HD13      ILE  23  -9.751 -10.735   2.301
  197    H    THR  24           H        THR  24  -5.720  -9.158  -2.160
  198    HA   THR  24           HA       THR  24  -6.462 -10.993  -4.410
  199    HB   THR  24           HB       THR  24  -6.419  -8.947  -5.794
  200    HG1  THR  24           HG1      THR  24  -6.059  -7.609  -3.333
  201   HG21  THR  24          HG21      THR  24  -8.092  -8.535  -3.270
  202   HG22  THR  24          HG22      THR  24  -8.350  -7.784  -4.856
  203   HG23  THR  24          HG23      THR  24  -8.554  -9.539  -4.664
  204    H    ASN  25           H        ASN  25  -3.686  -9.489  -2.967
  205    HA   ASN  25           HA       ASN  25  -1.498  -9.641  -3.244
  206    HB2  ASN  25           HB2      ASN  25  -1.815 -10.966  -5.956
  207    HB3  ASN  25           HB3      ASN  25  -0.349 -10.831  -5.000
  208   HD21  ASN  25          HD22      ASN  25  -3.435 -12.473  -5.271
  209   HD22  ASN  25          HD21      ASN  25  -2.995 -13.799  -4.172
  210    H    ALA  26           H        ALA  26  -3.571  -7.598  -4.602
  211    HA   ALA  26           HA       ALA  26  -1.995  -6.433  -6.720
  212    HB1  ALA  26           HB1      ALA  26  -4.150  -5.144  -4.992
  213    HB2  ALA  26           HB2      ALA  26  -3.585  -4.596  -6.576
  214    HB3  ALA  26           HB3      ALA  26  -4.464  -6.132  -6.438
  215    H    SER  27           H        SER  27  -1.000  -4.233  -6.641
  216    HA   SER  27           HA       SER  27  -0.235  -3.187  -4.000
  217    HB2  SER  27           HB2      SER  27   2.090  -2.734  -4.950
  218    HB3  SER  27           HB3      SER  27   1.730  -4.314  -4.256
  219    HG   SER  27           HG       SER  27   1.405  -5.077  -6.395
  220    H    GLN  28           H        GLN  28  -0.098  -1.004  -3.994
  221    HA   GLN  28           HA       GLN  28  -0.142   0.520  -6.516
  222    HB2  GLN  28           HB2      GLN  28  -2.502  -0.061  -6.227
  223    HB3  GLN  28           HB3      GLN  28  -2.469   0.480  -4.547
  224    HG2  GLN  28           HG2      GLN  28  -3.574   2.113  -6.036
  225    HG3  GLN  28           HG3      GLN  28  -2.162   2.762  -5.209
  226   HE21  GLN  28          HE22      GLN  28  -3.177   1.408  -8.442
  227   HE22  GLN  28          HE21      GLN  28  -1.971   2.377  -9.274
  228    H    PHE  29           H        PHE  29   0.562   2.635  -6.261
  229    HA   PHE  29           HA       PHE  29   1.952   3.227  -3.710
  230    HB2  PHE  29           HB2      PHE  29   2.058   4.563  -6.419
  231    HB3  PHE  29           HB3      PHE  29   2.987   5.031  -5.007
  232    HD1  PHE  29           HD2      PHE  29   2.855   1.317  -5.474
  233    HD2  PHE  29           HD1      PHE  29   4.900   4.985  -6.565
  234    HE1  PHE  29           HE2      PHE  29   4.604   0.034  -6.545
  235    HE2  PHE  29           HE1      PHE  29   6.742   3.636  -7.525
  236    HZ   PHE  29           HZ       PHE  29   6.588   1.163  -7.555
  237    H    GLU  30           H        GLU  30  -0.582   4.612  -5.941
  238    HA   GLU  30           HA       GLU  30  -1.206   6.656  -3.885
  239    HB2  GLU  30           HB2      GLU  30  -2.331   5.887  -6.520
  240    HB3  GLU  30           HB3      GLU  30  -3.296   6.895  -5.445
  241    HG2  GLU  30           HG2      GLU  30  -0.521   7.622  -6.478
  242    HG3  GLU  30           HG3      GLU  30  -2.052   8.332  -7.012
  243    H    ARG  31           H        ARG  31  -1.316   5.377  -2.441
  244    HA   ARG  31           HA       ARG  31  -2.935   3.169  -1.914
  245    HB2  ARG  31           HB2      ARG  31  -2.056   3.058   0.179
  246    HB3  ARG  31           HB3      ARG  31  -0.763   3.672  -0.832
  247    HG2  ARG  31           HG2      ARG  31  -2.335   5.150   1.323
  248    HG3  ARG  31           HG3      ARG  31  -0.694   4.586   1.407
  249    HD2  ARG  31           HD2      ARG  31  -0.585   6.881   1.178
  250    HD3  ARG  31           HD3      ARG  31  -0.041   6.187  -0.367
  251    HE   ARG  31           HE       ARG  31  -2.903   6.810  -0.263
  252   HH11  ARG  31          HH11      ARG  31   0.169   8.093  -1.388
  253   HH12  ARG  31          HH12      ARG  31  -0.582   8.823  -2.801
  254   HH21  ARG  31          HH21      ARG  31  -3.781   7.816  -1.880
  255   HH22  ARG  31          HH22      ARG  31  -2.822   8.803  -2.999
  256    HA   PRO  32           HA       PRO  32  -6.881   4.676  -0.427
  257    HB2  PRO  32           HB2      PRO  32  -7.420   2.733   1.499
  258    HB3  PRO  32           HB3      PRO  32  -7.807   2.665  -0.232
  259    HG2  PRO  32           HG2      PRO  32  -5.577   1.239   1.184
  260    HG3  PRO  32           HG3      PRO  32  -6.486   0.802  -0.234
  261    HD2  PRO  32           HD2      PRO  32  -3.919   1.933  -0.156
  262    HD3  PRO  32           HD3      PRO  32  -4.940   1.868  -1.608
  263    H    SER  33           H        SER  33  -7.732   5.599   1.757
  264    HA   SER  33           HA       SER  33  -5.999   7.375   2.755
  265    HB2  SER  33           HB2      SER  33  -8.502   6.394   4.151
  266    HB3  SER  33           HB3      SER  33  -7.770   8.010   4.252
  267    HG   SER  33           HG       SER  33  -9.451   8.008   2.746
  268    H    GLY  34           H        GLY  34  -4.077   5.881   3.396
  269    HA2  GLY  34           HA2      GLY  34  -3.354   6.683   5.968
  270    HA3  GLY  34           HA3      GLY  34  -3.969   5.043   6.179
  271    H1   NAG 101           H1       NAG  35  11.454   2.135  -4.322
  272    H2   NAG 101           H2       NAG  35  12.182   3.044  -7.151
  273    H3   NAG 101           H3       NAG  35   9.601   1.802  -6.057
  274    H4   NAG 101           H4       NAG  35  11.659   0.766  -8.084
  275    H5   NAG 101           H5       NAG  35  10.987  -0.258  -5.300
  276    H61  NAG 101           H61      NAG  35  11.756  -2.155  -6.583
  277    H62  NAG 101           H62      NAG  35  13.026  -1.181  -7.356
  278    H81  NAG 101           H2M      NAG  35  10.095   7.237  -7.107
  279    H82  NAG 101           H3M      NAG  35  10.899   6.842  -5.572
  280    H83  NAG 101           H1M      NAG  35   9.182   6.437  -5.807
  281    HN2  NAG 101           H2N      NAG  35  10.886   4.450  -4.984
  282    HO3  NAG 101           H3O      NAG  35   9.933   3.420  -8.145
  283    HO4  NAG 101           H4O      NAG  35   9.318   0.358  -8.182
  284    HO6  NAG 101           H6O      NAG  35  13.484  -0.716  -4.954
  Start of MODEL    3
    1    H1   LYS   1           H1       LYS   1 -11.892   6.355   0.196
    2    H2   LYS   1           H2       LYS   1 -11.627   4.814   0.700
    3    H3   LYS   1           H3       LYS   1 -12.627   5.082  -0.559
    4    HA   LYS   1           HA       LYS   1 -10.861   5.869  -1.935
    5    HB2  LYS   1           HB2      LYS   1  -8.958   5.258   0.360
    6    HB3  LYS   1           HB3      LYS   1  -8.561   5.765  -1.276
    7    HG2  LYS   1           HG2      LYS   1  -9.811   7.928  -0.838
    8    HG3  LYS   1           HG3      LYS   1 -10.005   7.397   0.842
    9    HD2  LYS   1           HD2      LYS   1  -8.085   8.829   0.811
   10    HD3  LYS   1           HD3      LYS   1  -7.476   7.174   0.980
   11    HE2  LYS   1           HE2      LYS   1  -7.167   7.168  -1.576
   12    HE3  LYS   1           HE3      LYS   1  -7.544   8.887  -1.559
   13    HZ1  LYS   1           HZ1      LYS   1  -5.176   8.323  -1.543
   14    HZ2  LYS   1           HZ2      LYS   1  -5.561   9.229  -0.211
   15    HZ3  LYS   1           HZ3      LYS   1  -5.306   7.578  -0.112
   16    H    LEU   2           H        LEU   2  -9.712   3.148   0.205
   17    HA   LEU   2           HA       LEU   2 -10.445   1.313  -1.854
   18    HB2  LEU   2           HB2      LEU   2  -7.597   0.862  -1.371
   19    HB3  LEU   2           HB3      LEU   2  -8.611   0.345  -2.602
   20    HG   LEU   2           HG       LEU   2  -8.887   2.466  -3.697
   21   HD11  LEU   2          HD11      LEU   2  -7.617   4.319  -3.399
   22   HD12  LEU   2          HD12      LEU   2  -7.585   3.756  -1.711
   23   HD13  LEU   2          HD13      LEU   2  -6.224   3.435  -2.765
   24   HD21  LEU   2          HD21      LEU   2  -6.859   2.172  -4.996
   25   HD22  LEU   2          HD22      LEU   2  -6.132   1.199  -3.683
   26   HD23  LEU   2          HD23      LEU   2  -7.559   0.624  -4.569
   27    HA   PRO   3           HA       PRO   3 -11.473  -1.450   1.110
   28    HB2  PRO   3           HB2      PRO   3  -9.797  -3.576  -0.261
   29    HB3  PRO   3           HB3      PRO   3 -11.528  -3.674   0.187
   30    HG2  PRO   3           HG2      PRO   3 -10.874  -3.211  -2.350
   31    HG3  PRO   3           HG3      PRO   3 -12.104  -2.124  -1.594
   32    HD2  PRO   3           HD2      PRO   3  -9.095  -1.683  -1.763
   33    HD3  PRO   3           HD3      PRO   3 -10.356  -0.608  -2.362
   34    HA   PRO   4           HA       PRO   4  -8.735  -2.917   4.394
   35    HB2  PRO   4           HB2      PRO   4 -10.168  -5.122   5.266
   36    HB3  PRO   4           HB3      PRO   4 -10.557  -3.432   5.714
   37    HG2  PRO   4           HG2      PRO   4 -11.788  -5.113   3.517
   38    HG3  PRO   4           HG3      PRO   4 -12.621  -4.084   4.728
   39    HD2  PRO   4           HD2      PRO   4 -12.182  -3.200   2.233
   40    HD3  PRO   4           HD3      PRO   4 -11.961  -2.094   3.615
   41    H    GLY   5           H        GLY   5  -7.045  -4.410   4.367
   42    HA2  GLY   5           HA2      GLY   5  -6.070  -6.551   3.435
   43    HA3  GLY   5           HA3      GLY   5  -6.943  -6.187   1.969
   44    H    TRP   6           H        TRP   6  -6.445  -3.127   1.790
   45    HA   TRP   6           HA       TRP   6  -3.694  -3.284   0.905
   46    HB2  TRP   6           HB2      TRP   6  -5.544  -0.981   1.469
   47    HB3  TRP   6           HB3      TRP   6  -3.971  -0.839   0.744
   48    HD1  TRP   6           HD1      TRP   6  -7.434  -1.273  -0.234
   49    HE1  TRP   6           HE1      TRP   6  -7.531  -1.215  -2.754
   50    HE3  TRP   6           HE3      TRP   6  -2.513  -1.808  -1.204
   51    HZ2  TRP   6           HZ2      TRP   6  -5.734  -1.701  -5.007
   52    HZ3  TRP   6           HZ3      TRP   6  -1.703  -1.817  -3.488
   53    HH2  TRP   6           HH2      TRP   6  -3.278  -1.848  -5.444
   54    H    GLU   7           H        GLU   7  -1.881  -2.821   1.858
   55    HA   GLU   7           HA       GLU   7  -1.759  -1.604   4.581
   56    HB2  GLU   7           HB2      GLU   7  -2.032  -4.164   4.464
   57    HB3  GLU   7           HB3      GLU   7  -0.416  -4.201   3.753
   58    HG2  GLU   7           HG2      GLU   7   0.470  -3.121   5.833
   59    HG3  GLU   7           HG3      GLU   7  -1.169  -3.092   6.495
   60    H    LYS   8           H        LYS   8   0.197  -0.517   5.050
   61    HA   LYS   8           HA       LYS   8   1.663   0.574   2.924
   62    HB2  LYS   8           HB2      LYS   8   1.368   1.650   5.063
   63    HB3  LYS   8           HB3      LYS   8   2.369   0.467   5.894
   64    HG2  LYS   8           HG2      LYS   8   3.544   2.013   3.569
   65    HG3  LYS   8           HG3      LYS   8   3.235   2.884   5.065
   66    HD2  LYS   8           HD2      LYS   8   4.673   1.412   6.348
   67    HD3  LYS   8           HD3      LYS   8   4.964   0.375   4.936
   68    HE2  LYS   8           HE2      LYS   8   6.004   2.216   3.727
   69    HE3  LYS   8           HE3      LYS   8   5.643   3.343   5.041
   70    HZ1  LYS   8           HZ1      LYS   8   7.943   2.545   5.115
   71    HZ2  LYS   8           HZ2      LYS   8   7.123   2.098   6.468
   72    HZ3  LYS   8           HZ3      LYS   8   7.435   0.996   5.292
   73    H    ARG   9           H        ARG   9   3.524   0.189   1.913
   74    HA   ARG   9           HA       ARG   9   5.192  -2.159   2.689
   75    HB2  ARG   9           HB2      ARG   9   3.119  -2.417   0.887
   76    HB3  ARG   9           HB3      ARG   9   4.375  -1.838  -0.181
   77    HG2  ARG   9           HG2      ARG   9   4.593  -4.110  -0.377
   78    HG3  ARG   9           HG3      ARG   9   5.814  -3.788   0.825
   79    HD2  ARG   9           HD2      ARG   9   3.209  -5.260   1.078
   80    HD3  ARG   9           HD3      ARG   9   4.789  -5.687   1.693
   81    HE   ARG   9           HE       ARG   9   3.939  -3.420   3.173
   82   HH11  ARG   9          HH21      ARG   9   2.373  -6.648   2.883
   83   HH12  ARG   9          HH22      ARG   9   1.643  -6.281   4.475
   84   HH21  ARG   9          HH11      ARG   9   3.001  -3.349   5.051
   85   HH22  ARG   9          HH12      ARG   9   2.026  -4.762   5.573
   86    H    MET  10           H        MET  10   7.327  -2.154   1.763
   87    HA   MET  10           HA       MET  10   8.192   0.546   0.876
   88    HB2  MET  10           HB2      MET  10   8.251   0.113   3.428
   89    HB3  MET  10           HB3      MET  10   9.619  -0.954   3.080
   90    HG2  MET  10           HG2      MET  10  10.767   0.988   1.964
   91    HG3  MET  10           HG3      MET  10   9.375   1.982   2.302
   92    HE1  MET  10           HE1      MET  10  11.536  -0.598   4.478
   93    HE2  MET  10           HE2      MET  10  12.647   0.498   3.620
   94    HE3  MET  10           HE3      MET  10  12.495   0.589   5.389
   95    H    PHE  11           H        PHE  11   9.844   0.644  -0.518
   96    HA   PHE  11           HA       PHE  11  10.748  -1.757  -1.861
   97    HB2  PHE  11           HB2      PHE  11  11.245   1.190  -2.132
   98    HB3  PHE  11           HB3      PHE  11  12.107   0.006  -3.095
   99    HD1  PHE  11           HD1      PHE  11  10.994  -1.468  -4.686
  100    HD2  PHE  11           HD2      PHE  11   8.757   1.617  -2.618
  101    HE1  PHE  11           HE1      PHE  11   9.138  -1.719  -6.302
  102    HE2  PHE  11           HE2      PHE  11   6.920   1.322  -4.223
  103    HZ   PHE  11           HZ       PHE  11   7.090  -0.349  -6.058
  104    H    ARG  12           H        ARG  12  12.194  -3.021  -1.021
  105    HA   ARG  12           HA       ARG  12  14.211  -2.475   0.865
  106    HB2  ARG  12           HB2      ARG  12  14.228  -4.553  -1.376
  107    HB3  ARG  12           HB3      ARG  12  15.209  -4.562   0.078
  108    HG2  ARG  12           HG2      ARG  12  13.674  -5.960   0.868
  109    HG3  ARG  12           HG3      ARG  12  12.755  -4.520   1.271
  110    HD2  ARG  12           HD2      ARG  12  12.445  -5.949  -1.408
  111    HD3  ARG  12           HD3      ARG  12  11.641  -6.547   0.042
  112    HE   ARG  12           HE       ARG  12  10.715  -4.037   0.103
  113   HH11  ARG  12          HH12      ARG  12  10.738  -6.321  -2.584
  114   HH12  ARG  12          HH11      ARG  12   9.228  -5.699  -3.203
  115   HH21  ARG  12          HH21      ARG  12   8.949  -3.318  -0.711
  116   HH22  ARG  12          HH22      ARG  12   8.129  -4.009  -2.110
  117    H    SER  13           H        SER  13  16.385  -2.029   0.678
  118    HA   SER  13           HA       SER  13  18.225  -0.999  -0.009
  119    HB2  SER  13           HB2      SER  13  17.584  -2.088  -2.760
  120    HB3  SER  13           HB3      SER  13  19.164  -1.554  -2.161
  121    HG   SER  13           HG       SER  13  18.916  -3.810  -1.970
  122    H    ASN  14           H        ASN  14  15.327   0.455  -1.049
  123    HA   ASN  14           HA       ASN  14  17.033   2.842  -1.469
  124    HB2  ASN  14           HB2      ASN  14  16.064   3.642  -3.403
  125    HB3  ASN  14           HB3      ASN  14  16.389   1.949  -3.726
  126   HD21  ASN  14          HD21      ASN  14  14.824   1.791  -5.484
  127    H    GLY  15           H        GLY  15  13.887   1.645  -0.326
  128    HA2  GLY  15           HA2      GLY  15  13.030   2.454   1.720
  129    HA3  GLY  15           HA3      GLY  15  13.910   3.969   1.530
  130    H    THR  16           H        THR  16  12.434   3.308  -1.403
  131    HA   THR  16           HA       THR  16  10.340   5.261  -1.276
  132    HB   THR  16           HB       THR  16  10.592   2.844  -3.101
  133    HG1  THR  16           HG1      THR  16  12.376   3.952  -3.249
  134   HG21  THR  16          HG21      THR  16   9.078   5.408  -3.630
  135   HG22  THR  16          HG22      THR  16   9.395   4.089  -4.790
  136   HG23  THR  16          HG23      THR  16   8.368   3.787  -3.399
  137    H    VAL  17           H        VAL  17   7.958   4.726  -1.459
  138    HA   VAL  17           HA       VAL  17   7.149   2.505   0.311
  139    HB   VAL  17           HB       VAL  17   6.723   5.452   0.865
  140   HG11  VAL  17          HG11      VAL  17   5.028   3.173   1.974
  141   HG12  VAL  17          HG12      VAL  17   5.099   4.818   2.651
  142   HG13  VAL  17          HG13      VAL  17   4.459   4.570   1.032
  143   HG21  VAL  17          HG21      VAL  17   8.624   4.274   1.960
  144   HG22  VAL  17          HG22      VAL  17   7.400   4.742   3.147
  145   HG23  VAL  17          HG23      VAL  17   7.484   3.053   2.577
  146    H    TYR  18           H        TYR  18   5.084   1.857   0.047
  147    HA   TYR  18           HA       TYR  18   3.206   3.112  -1.759
  148    HB2  TYR  18           HB2      TYR  18   3.126   1.349  -3.379
  149    HB3  TYR  18           HB3      TYR  18   4.735   2.017  -3.344
  150    HD1  TYR  18           HD2      TYR  18   6.455   0.631  -1.676
  151    HD2  TYR  18           HD1      TYR  18   2.969  -0.890  -3.701
  152    HE1  TYR  18           HE2      TYR  18   7.490  -1.572  -1.759
  153    HE2  TYR  18           HE1      TYR  18   3.979  -3.170  -3.704
  154    HH   TYR  18           HH       TYR  18   5.836  -4.381  -3.267
  155    H    TYR  19           H        TYR  19   1.435   0.925  -2.129
  156    HA   TYR  19           HA       TYR  19   1.062  -0.237   0.548
  157    HB2  TYR  19           HB2      TYR  19  -0.787   1.603  -0.918
  158    HB3  TYR  19           HB3      TYR  19  -1.499   0.130  -0.300
  159    HD1  TYR  19           HD1      TYR  19   0.820   2.847   0.903
  160    HD2  TYR  19           HD2      TYR  19  -2.392   0.157   1.858
  161    HE1  TYR  19           HE1      TYR  19   0.757   3.722   3.242
  162    HE2  TYR  19           HE2      TYR  19  -2.576   1.126   4.110
  163    HH   TYR  19           HH       TYR  19  -1.748   2.696   5.567
  164    H    PHE  20           H        PHE  20   0.148  -2.222   0.518
  165    HA   PHE  20           HA       PHE  20  -0.016  -3.644  -2.105
  166    HB2  PHE  20           HB2      PHE  20   2.163  -3.858  -0.952
  167    HB3  PHE  20           HB3      PHE  20   1.334  -4.450   0.490
  168    HD1  PHE  20           HD2      PHE  20   0.368  -6.744   0.533
  169    HD2  PHE  20           HD1      PHE  20   2.478  -5.241  -2.905
  170    HE1  PHE  20           HE2      PHE  20   0.528  -9.057  -0.392
  171    HE2  PHE  20           HE1      PHE  20   2.543  -7.538  -3.870
  172    HZ   PHE  20           HZ       PHE  20   1.572  -9.440  -2.603
  173    H    ASN  21           H        ASN  21  -1.784  -4.915  -2.295
  174    HA   ASN  21           HA       ASN  21  -3.608  -5.098   0.025
  175    HB2  ASN  21           HB2      ASN  21  -4.459  -4.267  -2.206
  176    HB3  ASN  21           HB3      ASN  21  -4.126  -5.852  -2.847
  177   HD21  ASN  21          HD22      ASN  21  -6.408  -3.925  -0.990
  178   HD22  ASN  21          HD21      ASN  21  -7.436  -5.287  -0.578
  179    H    HIS  22           H        HIS  22  -2.681  -6.708   1.338
  180    HA   HIS  22           HA       HIS  22  -1.632  -9.140   0.099
  181    HB2  HIS  22           HB2      HIS  22  -1.286  -9.910   2.404
  182    HB3  HIS  22           HB3      HIS  22  -0.588  -8.339   2.080
  183    HD2  HIS  22           HD2      HIS  22  -1.064  -6.494   3.757
  184    HE1  HIS  22           HE1      HIS  22  -4.113  -8.406   6.025
  185    HE2  HIS  22           HE2      HIS  22  -2.371  -6.488   5.995
  186    H    ILE  23           H        ILE  23  -4.791  -8.268   0.340
  187    HA   ILE  23           HA       ILE  23  -5.810 -10.994   0.917
  188    HB   ILE  23           HB       ILE  23  -6.899  -8.192   0.749
  189   HG12  ILE  23          HG12      ILE  23  -6.956 -10.474   2.776
  190   HG13  ILE  23          HG13      ILE  23  -6.059  -8.964   2.885
  191   HG21  ILE  23          HG21      ILE  23  -9.177  -8.896   0.894
  192   HG22  ILE  23          HG22      ILE  23  -8.472  -9.426  -0.628
  193   HG23  ILE  23          HG23      ILE  23  -8.708 -10.612   0.686
  194   HD11  ILE  23          HD11      ILE  23  -7.883  -8.798   4.399
  195   HD12  ILE  23          HD12      ILE  23  -8.326  -7.772   3.021
  196   HD13  ILE  23          HD13      ILE  23  -9.050  -9.382   3.204
  197    H    THR  24           H        THR  24  -5.194  -8.816  -1.711
  198    HA   THR  24           HA       THR  24  -6.232 -10.823  -3.710
  199    HB   THR  24           HB       THR  24  -6.355  -8.925  -5.291
  200    HG1  THR  24           HG1      THR  24  -5.803  -7.367  -3.007
  201   HG21  THR  24          HG21      THR  24  -8.372  -9.430  -3.911
  202   HG22  THR  24          HG22      THR  24  -7.818  -8.257  -2.696
  203   HG23  THR  24          HG23      THR  24  -8.230  -7.710  -4.332
  204    H    ASN  25           H        ASN  25  -3.406  -9.147  -2.694
  205    HA   ASN  25           HA       ASN  25  -1.230  -9.335  -3.114
  206    HB2  ASN  25           HB2      ASN  25  -1.745 -10.815  -5.720
  207    HB3  ASN  25           HB3      ASN  25  -0.206 -10.593  -4.911
  208   HD21  ASN  25          HD22      ASN  25  -3.263 -12.307  -4.798
  209   HD22  ASN  25          HD21      ASN  25  -2.683 -13.558  -3.674
  210    H    ALA  26           H        ALA  26  -3.395  -7.369  -4.514
  211    HA   ALA  26           HA       ALA  26  -1.882  -6.243  -6.683
  212    HB1  ALA  26           HB1      ALA  26  -4.336  -5.946  -6.304
  213    HB2  ALA  26           HB2      ALA  26  -3.967  -4.901  -4.913
  214    HB3  ALA  26           HB3      ALA  26  -3.480  -4.412  -6.543
  215    H    SER  27           H        SER  27  -0.961  -4.000  -6.749
  216    HA   SER  27           HA       SER  27   0.016  -2.850  -4.203
  217    HB2  SER  27           HB2      SER  27   2.209  -2.357  -5.306
  218    HB3  SER  27           HB3      SER  27   1.963  -4.001  -4.754
  219    HG   SER  27           HG       SER  27   1.446  -3.119  -7.418
  220    H    GLN  28           H        GLN  28   0.063  -0.661  -4.212
  221    HA   GLN  28           HA       GLN  28  -0.104   0.907  -6.703
  222    HB2  GLN  28           HB2      GLN  28  -2.456   0.252  -6.099
  223    HB3  GLN  28           HB3      GLN  28  -2.221   0.972  -4.500
  224    HG2  GLN  28           HG2      GLN  28  -1.825   3.190  -5.664
  225    HG3  GLN  28           HG3      GLN  28  -2.223   2.400  -7.196
  226   HE21  GLN  28          HE22      GLN  28  -3.508   3.271  -3.907
  227   HE22  GLN  28          HE21      GLN  28  -5.178   3.231  -4.501
  228    H    PHE  29           H        PHE  29   0.801   3.035  -6.325
  229    HA   PHE  29           HA       PHE  29   2.154   3.337  -3.735
  230    HB2  PHE  29           HB2      PHE  29   2.212   4.958  -6.273
  231    HB3  PHE  29           HB3      PHE  29   3.054   5.404  -4.802
  232    HD1  PHE  29           HD2      PHE  29   3.074   1.713  -5.706
  233    HD2  PHE  29           HD1      PHE  29   5.156   5.522  -5.959
  234    HE1  PHE  29           HE2      PHE  29   5.018   0.607  -6.622
  235    HE2  PHE  29           HE1      PHE  29   7.136   4.346  -6.834
  236    HZ   PHE  29           HZ       PHE  29   7.072   1.897  -7.209
  237    H    GLU  30           H        GLU  30  -0.736   4.719  -5.271
  238    HA   GLU  30           HA       GLU  30  -1.082   6.772  -3.257
  239    HB2  GLU  30           HB2      GLU  30  -2.205   6.320  -5.669
  240    HB3  GLU  30           HB3      GLU  30  -3.496   5.694  -4.656
  241    HG2  GLU  30           HG2      GLU  30  -2.210   8.460  -4.428
  242    HG3  GLU  30           HG3      GLU  30  -3.688   8.114  -5.322
  243    H    ARG  31           H        ARG  31  -2.356   6.718  -1.549
  244    HA   ARG  31           HA       ARG  31  -2.189   4.174  -0.016
  245    HB2  ARG  31           HB2      ARG  31  -0.921   6.250   0.588
  246    HB3  ARG  31           HB3      ARG  31  -2.437   7.051   0.950
  247    HG2  ARG  31           HG2      ARG  31  -2.360   4.502   2.368
  248    HG3  ARG  31           HG3      ARG  31  -0.809   5.309   2.543
  249    HD2  ARG  31           HD2      ARG  31  -2.306   5.805   4.404
  250    HD3  ARG  31           HD3      ARG  31  -1.709   7.227   3.565
  251    HE   ARG  31           HE       ARG  31  -4.458   6.042   3.253
  252   HH11  ARG  31          HH11      ARG  31  -2.423   8.881   3.023
  253   HH12  ARG  31          HH12      ARG  31  -3.749  10.006   2.945
  254   HH21  ARG  31          HH21      ARG  31  -6.192   7.582   3.340
  255   HH22  ARG  31          HH22      ARG  31  -5.820   9.261   3.113
  256    HA   PRO  32           HA       PRO  32  -6.804   4.096   0.269
  257    HB2  PRO  32           HB2      PRO  32  -6.037   1.603   1.742
  258    HB3  PRO  32           HB3      PRO  32  -7.421   1.885   0.636
  259    HG2  PRO  32           HG2      PRO  32  -5.443   0.649  -0.373
  260    HG3  PRO  32           HG3      PRO  32  -5.930   1.965  -1.277
  261    HD2  PRO  32           HD2      PRO  32  -3.617   2.047   0.678
  262    HD3  PRO  32           HD3      PRO  32  -3.659   2.599  -1.027
  263    H    SER  33           H        SER  33  -8.203   3.903   2.303
  264    HA   SER  33           HA       SER  33  -7.447   3.616   4.947
  265    HB2  SER  33           HB2      SER  33  -7.563   5.935   5.832
  266    HB3  SER  33           HB3      SER  33  -6.117   5.727   4.841
  267    HG   SER  33           HG       SER  33  -8.618   6.702   3.977
  268    H    GLY  34           H        GLY  34  -9.361   2.432   4.049
  269    HA2  GLY  34           HA2      GLY  34 -11.674   2.142   3.907
  270    HA3  GLY  34           HA3      GLY  34 -11.921   3.807   4.505
  271    H1   NAG 101           H1       NAG  35  12.014   2.020  -4.596
  272    H2   NAG 101           H2       NAG  35  13.311   2.708  -7.243
  273    H3   NAG 101           H3       NAG  35  10.568   1.461  -6.795
  274    H4   NAG 101           H4       NAG  35  12.814   0.740  -8.750
  275    H5   NAG 101           H5       NAG  35  12.540  -1.312  -6.796
  276    H61  NAG 101           H61      NAG  35  14.901  -1.105  -6.426
  277    H62  NAG 101           H62      NAG  35  14.567  -0.908  -8.148
  278    H81  NAG 101           H2M      NAG  35  12.031   6.539  -5.802
  279    H82  NAG 101           H3M      NAG  35  10.334   6.167  -6.188
  280    H83  NAG 101           H1M      NAG  35  11.357   6.996  -7.382
  281    HN2  NAG 101           H2N      NAG  35  11.671   4.068  -5.319
  282    HO3  NAG 101           H3O      NAG  35  11.295   3.315  -8.637
  283    HO4  NAG 101           H4O      NAG  35  10.541   0.193  -8.976
  284    HO6  NAG 101           H6O      NAG  35  15.978   0.715  -7.563
  Start of MODEL    4
    1    H1   LYS   1           H1       LYS   1  -7.115   5.175  -2.107
    2    H2   LYS   1           H2       LYS   1  -7.483   4.835  -0.520
    3    H3   LYS   1           H3       LYS   1  -7.601   6.344  -1.106
    4    HA   LYS   1           HA       LYS   1  -9.764   5.134  -0.787
    5    HB2  LYS   1           HB2      LYS   1  -9.148   6.303  -3.522
    6    HB3  LYS   1           HB3      LYS   1 -10.747   6.123  -2.805
    7    HG2  LYS   1           HG2      LYS   1 -10.219   7.684  -1.029
    8    HG3  LYS   1           HG3      LYS   1  -8.560   7.887  -1.596
    9    HD2  LYS   1           HD2      LYS   1 -10.831   8.477  -3.512
   10    HD3  LYS   1           HD3      LYS   1 -10.487   9.604  -2.212
   11    HE2  LYS   1           HE2      LYS   1  -9.356  10.341  -4.200
   12    HE3  LYS   1           HE3      LYS   1  -8.183   9.906  -2.954
   13    HZ1  LYS   1           HZ1      LYS   1  -7.697   7.880  -4.095
   14    HZ2  LYS   1           HZ2      LYS   1  -8.919   8.103  -5.187
   15    HZ3  LYS   1           HZ3      LYS   1  -7.594   9.086  -5.185
   16    H    LEU   2           H        LEU   2  -8.781   2.721  -0.777
   17    HA   LEU   2           HA       LEU   2 -10.129   1.299  -2.846
   18    HB2  LEU   2           HB2      LEU   2  -7.408   0.161  -2.329
   19    HB3  LEU   2           HB3      LEU   2  -8.519  -0.296  -3.425
   20    HG   LEU   2           HG       LEU   2  -6.768   0.400  -4.636
   21   HD11  LEU   2          HD11      LEU   2  -8.102   1.482  -6.347
   22   HD12  LEU   2          HD12      LEU   2  -9.023   0.238  -5.487
   23   HD13  LEU   2          HD13      LEU   2  -9.311   1.953  -5.133
   24   HD21  LEU   2          HD21      LEU   2  -6.430   2.769  -5.283
   25   HD22  LEU   2          HD22      LEU   2  -7.253   3.261  -3.804
   26   HD23  LEU   2          HD23      LEU   2  -5.744   2.322  -3.738
   27    HA   PRO   3           HA       PRO   3 -11.705  -1.231   0.261
   28    HB2  PRO   3           HB2      PRO   3 -10.248  -3.565  -1.011
   29    HB3  PRO   3           HB3      PRO   3 -11.984  -3.522  -0.501
   30    HG2  PRO   3           HG2      PRO   3 -11.409  -3.218  -3.073
   31    HG3  PRO   3           HG3      PRO   3 -12.455  -1.946  -2.326
   32    HD2  PRO   3           HD2      PRO   3  -9.409  -1.924  -2.620
   33    HD3  PRO   3           HD3      PRO   3 -10.555  -0.690  -3.196
   34    HA   PRO   4           HA       PRO   4  -9.336  -3.029   3.707
   35    HB2  PRO   4           HB2      PRO   4 -11.490  -5.155   3.617
   36    HB3  PRO   4           HB3      PRO   4 -10.842  -4.274   5.037
   37    HG2  PRO   4           HG2      PRO   4 -13.236  -3.577   3.977
   38    HG3  PRO   4           HG3      PRO   4 -12.068  -2.304   4.462
   39    HD2  PRO   4           HD2      PRO   4 -12.621  -3.395   1.698
   40    HD3  PRO   4           HD3      PRO   4 -12.412  -1.696   2.228
   41    H    GLY   5           H        GLY   5  -7.708  -4.643   3.753
   42    HA2  GLY   5           HA2      GLY   5  -6.803  -6.836   2.866
   43    HA3  GLY   5           HA3      GLY   5  -7.569  -6.422   1.347
   44    H    TRP   6           H        TRP   6  -6.962  -3.477   1.262
   45    HA   TRP   6           HA       TRP   6  -4.143  -3.594   0.553
   46    HB2  TRP   6           HB2      TRP   6  -6.181  -1.404   0.816
   47    HB3  TRP   6           HB3      TRP   6  -4.555  -1.158   0.233
   48    HD1  TRP   6           HD1      TRP   6  -7.899  -2.102  -1.108
   49    HE1  TRP   6           HE1      TRP   6  -7.701  -2.230  -3.586
   50    HE3  TRP   6           HE3      TRP   6  -2.856  -1.993  -1.482
   51    HZ2  TRP   6           HZ2      TRP   6  -5.594  -2.772  -5.575
   52    HZ3  TRP   6           HZ3      TRP   6  -1.782  -2.162  -3.646
   53    HH2  TRP   6           HH2      TRP   6  -3.102  -2.679  -5.725
   54    H    GLU   7           H        GLU   7  -2.429  -2.902   1.613
   55    HA   GLU   7           HA       GLU   7  -2.648  -1.579   4.285
   56    HB2  GLU   7           HB2      GLU   7  -2.672  -4.085   4.411
   57    HB3  GLU   7           HB3      GLU   7  -1.116  -4.107   3.574
   58    HG2  GLU   7           HG2      GLU   7  -0.102  -2.855   5.486
   59    HG3  GLU   7           HG3      GLU   7  -1.676  -2.868   6.304
   60    H    LYS   8           H        LYS   8  -0.789  -0.301   4.847
   61    HA   LYS   8           HA       LYS   8   0.754   0.714   2.688
   62    HB2  LYS   8           HB2      LYS   8   0.170   1.895   4.843
   63    HB3  LYS   8           HB3      LYS   8   1.454   0.988   5.639
   64    HG2  LYS   8           HG2      LYS   8   3.108   1.985   4.083
   65    HG3  LYS   8           HG3      LYS   8   1.836   2.813   3.204
   66    HD2  LYS   8           HD2      LYS   8   2.195   3.347   6.178
   67    HD3  LYS   8           HD3      LYS   8   3.300   4.041   5.002
   68    HE2  LYS   8           HE2      LYS   8   1.769   5.742   5.266
   69    HE3  LYS   8           HE3      LYS   8   1.287   4.979   3.754
   70    HZ1  LYS   8           HZ1      LYS   8  -0.640   5.435   5.080
   71    HZ2  LYS   8           HZ2      LYS   8  -0.500   3.831   5.032
   72    HZ3  LYS   8           HZ3      LYS   8  -0.030   4.641   6.395
   73    H    ARG   9           H        ARG   9   2.870   0.540   2.109
   74    HA   ARG   9           HA       ARG   9   4.480  -1.718   3.168
   75    HB2  ARG   9           HB2      ARG   9   2.661  -2.391   1.384
   76    HB3  ARG   9           HB3      ARG   9   3.664  -1.532   0.233
   77    HG2  ARG   9           HG2      ARG   9   4.158  -3.863   0.081
   78    HG3  ARG   9           HG3      ARG   9   5.549  -3.096   0.813
   79    HD2  ARG   9           HD2      ARG   9   5.261  -5.052   2.060
   80    HD3  ARG   9           HD3      ARG   9   4.620  -3.808   3.111
   81    HE   ARG   9           HE       ARG   9   3.058  -5.821   1.545
   82   HH11  ARG   9          HH11      ARG   9   2.584  -3.328   4.157
   83   HH12  ARG   9          HH12      ARG   9   1.562  -4.516   4.957
   84   HH21  ARG   9          HH21      ARG   9   1.528  -7.000   2.836
   85   HH22  ARG   9          HH22      ARG   9   0.946  -6.134   4.280
   86    H    MET  10           H        MET  10   6.709  -1.763   2.268
   87    HA   MET  10           HA       MET  10   7.588   0.866   1.212
   88    HB2  MET  10           HB2      MET  10   7.701   0.724   3.754
   89    HB3  MET  10           HB3      MET  10   8.907  -0.555   3.547
   90    HG2  MET  10           HG2      MET  10  10.237   1.109   2.135
   91    HG3  MET  10           HG3      MET  10   9.091   2.340   2.618
   92    HE1  MET  10           HE1      MET  10   8.477   2.082   5.599
   93    HE2  MET  10           HE2      MET  10   9.822   2.988   6.326
   94    HE3  MET  10           HE3      MET  10   9.065   3.579   4.831
   95    H    PHE  11           H        PHE  11   9.375   0.841  -0.079
   96    HA   PHE  11           HA       PHE  11  10.109  -1.738  -1.214
   97    HB2  PHE  11           HB2      PHE  11  10.541   1.146  -1.941
   98    HB3  PHE  11           HB3      PHE  11  11.287  -0.170  -2.845
   99    HD1  PHE  11           HD2      PHE  11   9.659  -2.136  -3.570
  100    HD2  PHE  11           HD1      PHE  11   8.351   1.871  -2.598
  101    HE1  PHE  11           HE2      PHE  11   7.678  -2.416  -5.041
  102    HE2  PHE  11           HE1      PHE  11   6.493   1.638  -4.209
  103    HZ   PHE  11           HZ       PHE  11   6.126  -0.522  -5.384
  104    H    ARG  12           H        ARG  12  11.613  -2.879  -0.456
  105    HA   ARG  12           HA       ARG  12  13.900  -2.476   1.004
  106    HB2  ARG  12           HB2      ARG  12  13.213  -4.635   0.565
  107    HB3  ARG  12           HB3      ARG  12  13.004  -4.390  -1.148
  108    HG2  ARG  12           HG2      ARG  12  15.769  -4.448   0.109
  109    HG3  ARG  12           HG3      ARG  12  14.899  -5.920  -0.297
  110    HD2  ARG  12           HD2      ARG  12  15.767  -3.794  -2.299
  111    HD3  ARG  12           HD3      ARG  12  16.483  -5.361  -2.041
  112    HE   ARG  12           HE       ARG  12  14.647  -6.435  -3.048
  113   HH11  ARG  12          HH21      ARG  12  14.101  -2.917  -3.213
  114   HH12  ARG  12          HH22      ARG  12  13.031  -3.086  -4.584
  115   HH21  ARG  12          HH12      ARG  12  13.226  -6.528  -4.780
  116   HH22  ARG  12          HH11      ARG  12  12.554  -5.042  -5.391
  117    H    SER  13           H        SER  13  15.868  -1.656   0.749
  118    HA   SER  13           HA       SER  13  17.648  -0.596   0.004
  119    HB2  SER  13           HB2      SER  13  17.105  -1.862  -2.689
  120    HB3  SER  13           HB3      SER  13  18.641  -1.202  -2.101
  121    HG   SER  13           HG       SER  13  18.762  -3.321  -1.651
  122    H    ASN  14           H        ASN  14  14.719   0.673  -1.059
  123    HA   ASN  14           HA       ASN  14  16.299   3.105  -1.691
  124    HB2  ASN  14           HB2      ASN  14  15.103   3.775  -3.562
  125    HB3  ASN  14           HB3      ASN  14  15.533   2.096  -3.852
  126   HD21  ASN  14          HD21      ASN  14  13.848   2.501  -5.539
  127    H    GLY  15           H        GLY  15  13.455   1.772  -0.094
  128    HA2  GLY  15           HA2      GLY  15  12.561   2.688   1.839
  129    HA3  GLY  15           HA3      GLY  15  13.484   4.177   1.593
  130    H    THR  16           H        THR  16  11.790   3.288  -1.255
  131    HA   THR  16           HA       THR  16   9.814   5.431  -1.023
  132    HB   THR  16           HB       THR  16  10.116   3.098  -2.947
  133    HG1  THR  16           HG1      THR  16  11.641   4.924  -2.706
  134   HG21  THR  16          HG21      THR  16   8.300   5.530  -3.227
  135   HG22  THR  16          HG22      THR  16   8.655   4.340  -4.499
  136   HG23  THR  16          HG23      THR  16   7.761   3.841  -3.075
  137    H    VAL  17           H        VAL  17   7.422   4.869  -1.225
  138    HA   VAL  17           HA       VAL  17   6.609   2.699   0.585
  139    HB   VAL  17           HB       VAL  17   6.209   5.645   1.138
  140   HG11  VAL  17          HG11      VAL  17   3.926   4.764   1.272
  141   HG12  VAL  17          HG12      VAL  17   4.486   3.401   2.274
  142   HG13  VAL  17          HG13      VAL  17   4.555   5.066   2.889
  143   HG21  VAL  17          HG21      VAL  17   6.901   3.253   2.903
  144   HG22  VAL  17          HG22      VAL  17   8.084   4.420   2.251
  145   HG23  VAL  17          HG23      VAL  17   6.868   4.955   3.419
  146    H    TYR  18           H        TYR  18   4.521   2.079   0.298
  147    HA   TYR  18           HA       TYR  18   2.761   3.203  -1.736
  148    HB2  TYR  18           HB2      TYR  18   2.984   1.499  -3.350
  149    HB3  TYR  18           HB3      TYR  18   4.571   2.118  -3.069
  150    HD1  TYR  18           HD1      TYR  18   5.979   0.699  -1.177
  151    HD2  TYR  18           HD2      TYR  18   2.773  -0.759  -3.667
  152    HE1  TYR  18           HE1      TYR  18   6.904  -1.577  -1.003
  153    HE2  TYR  18           HE2      TYR  18   3.705  -3.087  -3.448
  154    HH   TYR  18           HH       TYR  18   6.741  -3.739  -1.731
  155    H    TYR  19           H        TYR  19   1.199   0.881  -2.227
  156    HA   TYR  19           HA       TYR  19   0.576  -0.221   0.427
  157    HB2  TYR  19           HB2      TYR  19  -1.180   1.424  -1.341
  158    HB3  TYR  19           HB3      TYR  19  -1.882  -0.056  -0.736
  159    HD1  TYR  19           HD1      TYR  19   0.026   2.926   0.524
  160    HD2  TYR  19           HD2      TYR  19  -2.957  -0.070   1.326
  161    HE1  TYR  19           HE1      TYR  19  -0.402   3.920   2.761
  162    HE2  TYR  19           HE2      TYR  19  -3.468   0.990   3.510
  163    HH   TYR  19           HH       TYR  19  -3.126   3.031   4.736
  164    H    PHE  20           H        PHE  20  -0.301  -2.221   0.386
  165    HA   PHE  20           HA       PHE  20  -0.123  -3.787  -2.146
  166    HB2  PHE  20           HB2      PHE  20   1.943  -3.792  -0.812
  167    HB3  PHE  20           HB3      PHE  20   1.063  -4.372   0.595
  168    HD1  PHE  20           HD2      PHE  20   0.208  -6.710   0.677
  169    HD2  PHE  20           HD1      PHE  20   2.505  -5.267  -2.669
  170    HE1  PHE  20           HE2      PHE  20   0.624  -9.061  -0.066
  171    HE2  PHE  20           HE1      PHE  20   2.838  -7.606  -3.448
  172    HZ   PHE  20           HZ       PHE  20   1.905  -9.497  -2.136
  173    H    ASN  21           H        ASN  21  -1.785  -5.109  -2.438
  174    HA   ASN  21           HA       ASN  21  -3.806  -5.382  -0.293
  175    HB2  ASN  21           HB2      ASN  21  -4.455  -4.768  -2.667
  176    HB3  ASN  21           HB3      ASN  21  -3.917  -6.351  -3.150
  177   HD21  ASN  21          HD22      ASN  21  -6.548  -4.522  -1.721
  178   HD22  ASN  21          HD21      ASN  21  -7.516  -5.943  -1.366
  179    H    HIS  22           H        HIS  22  -2.917  -6.857   1.218
  180    HA   HIS  22           HA       HIS  22  -1.579  -9.261   0.197
  181    HB2  HIS  22           HB2      HIS  22  -1.371  -9.908   2.557
  182    HB3  HIS  22           HB3      HIS  22  -0.714  -8.333   2.183
  183    HD2  HIS  22           HD2      HIS  22  -1.376  -6.392   3.672
  184    HE1  HIS  22           HE1      HIS  22  -4.322  -8.362   6.019
  185    HE2  HIS  22           HE2      HIS  22  -2.701  -6.348   5.897
  186    H    ILE  23           H        ILE  23  -4.787  -8.610   0.098
  187    HA   ILE  23           HA       ILE  23  -5.660 -11.375   0.716
  188    HB   ILE  23           HB       ILE  23  -6.956  -8.709   0.156
  189   HG12  ILE  23          HG12      ILE  23  -7.101 -10.809   2.364
  190   HG13  ILE  23          HG13      ILE  23  -6.363  -9.213   2.447
  191   HG21  ILE  23          HG21      ILE  23  -8.184 -10.221  -1.304
  192   HG22  ILE  23          HG22      ILE  23  -8.481 -11.319   0.070
  193   HG23  ILE  23          HG23      ILE  23  -9.157  -9.662   0.052
  194   HD11  ILE  23          HD11      ILE  23  -9.320  -9.901   2.394
  195   HD12  ILE  23          HD12      ILE  23  -8.396  -9.082   3.662
  196   HD13  ILE  23          HD13      ILE  23  -8.728  -8.249   2.128
  197    H    THR  24           H        THR  24  -4.863  -9.312  -1.972
  198    HA   THR  24           HA       THR  24  -5.463 -11.520  -3.934
  199    HB   THR  24           HB       THR  24  -5.576  -9.734  -5.641
  200    HG1  THR  24           HG1      THR  24  -5.459  -8.006  -3.413
  201   HG21  THR  24          HG21      THR  24  -7.658  -8.675  -4.989
  202   HG22  THR  24          HG22      THR  24  -7.685 -10.369  -4.450
  203   HG23  THR  24          HG23      THR  24  -7.389  -9.060  -3.280
  204    H    ASN  25           H        ASN  25  -2.946  -9.502  -2.748
  205    HA   ASN  25           HA       ASN  25  -0.723  -9.466  -2.932
  206    HB2  ASN  25           HB2      ASN  25  -0.806 -11.177  -5.443
  207    HB3  ASN  25           HB3      ASN  25   0.617 -10.693  -4.538
  208   HD21  ASN  25          HD22      ASN  25  -2.210 -12.763  -4.502
  209   HD22  ASN  25          HD21      ASN  25  -1.605 -13.814  -3.202
  210    H    ALA  26           H        ALA  26  -2.919  -7.864  -4.680
  211    HA   ALA  26           HA       ALA  26  -1.347  -6.661  -6.752
  212    HB1  ALA  26           HB1      ALA  26  -3.705  -5.481  -5.232
  213    HB2  ALA  26           HB2      ALA  26  -3.139  -5.022  -6.846
  214    HB3  ALA  26           HB3      ALA  26  -3.846  -6.627  -6.586
  215    H    SER  27           H        SER  27  -0.729  -4.294  -6.850
  216    HA   SER  27           HA       SER  27   0.041  -3.014  -4.292
  217    HB2  SER  27           HB2      SER  27   2.190  -2.313  -5.352
  218    HB3  SER  27           HB3      SER  27   2.081  -3.972  -4.767
  219    HG   SER  27           HG       SER  27   1.845  -4.673  -6.878
  220    H    GLN  28           H        GLN  28  -0.008  -0.800  -4.354
  221    HA   GLN  28           HA       GLN  28  -0.257   0.711  -6.856
  222    HB2  GLN  28           HB2      GLN  28  -2.399   0.685  -4.665
  223    HB3  GLN  28           HB3      GLN  28  -2.157   2.074  -5.714
  224    HG2  GLN  28           HG2      GLN  28  -2.971  -0.691  -6.658
  225    HG3  GLN  28           HG3      GLN  28  -4.014   0.714  -6.502
  226   HE21  GLN  28          HE22      GLN  28  -1.439  -0.808  -8.419
  227   HE22  GLN  28          HE21      GLN  28  -1.625   0.330  -9.770
  228    H    PHE  29           H        PHE  29   0.366   2.968  -6.500
  229    HA   PHE  29           HA       PHE  29   1.835   3.358  -3.949
  230    HB2  PHE  29           HB2      PHE  29   1.850   4.871  -6.550
  231    HB3  PHE  29           HB3      PHE  29   2.626   5.440  -5.083
  232    HD1  PHE  29           HD2      PHE  29   2.857   1.716  -5.807
  233    HD2  PHE  29           HD1      PHE  29   4.762   5.605  -6.180
  234    HE1  PHE  29           HE2      PHE  29   4.850   0.672  -6.682
  235    HE2  PHE  29           HE1      PHE  29   6.829   4.480  -6.934
  236    HZ   PHE  29           HZ       PHE  29   6.876   2.015  -7.217
  237    H    GLU  30           H        GLU  30  -1.251   4.221  -5.321
  238    HA   GLU  30           HA       GLU  30  -1.712   6.502  -3.583
  239    HB2  GLU  30           HB2      GLU  30  -2.975   5.979  -5.689
  240    HB3  GLU  30           HB3      GLU  30  -3.785   4.668  -4.843
  241    HG2  GLU  30           HG2      GLU  30  -3.822   7.411  -3.570
  242    HG3  GLU  30           HG3      GLU  30  -4.690   7.237  -5.083
  243    H    ARG  31           H        ARG  31  -2.955   6.453  -1.674
  244    HA   ARG  31           HA       ARG  31  -2.523   4.055   0.014
  245    HB2  ARG  31           HB2      ARG  31  -3.183   6.951   0.660
  246    HB3  ARG  31           HB3      ARG  31  -2.979   5.679   1.869
  247    HG2  ARG  31           HG2      ARG  31  -0.708   5.669   1.704
  248    HG3  ARG  31           HG3      ARG  31  -0.683   5.937  -0.027
  249    HD2  ARG  31           HD2      ARG  31   0.342   7.756   1.224
  250    HD3  ARG  31           HD3      ARG  31  -1.063   8.300   0.285
  251    HE   ARG  31           HE       ARG  31  -1.733   7.621   3.067
  252   HH11  ARG  31          HH21      ARG  31  -0.296  10.211   1.187
  253   HH12  ARG  31          HH22      ARG  31  -0.949  11.459   2.225
  254   HH21  ARG  31          HH11      ARG  31  -2.726   9.168   4.125
  255   HH22  ARG  31          HH12      ARG  31  -2.295  10.878   3.980
  256    HA   PRO  32           HA       PRO  32  -6.990   3.073  -0.573
  257    HB2  PRO  32           HB2      PRO  32  -5.645   0.947   1.089
  258    HB3  PRO  32           HB3      PRO  32  -7.229   0.824   0.238
  259    HG2  PRO  32           HG2      PRO  32  -5.391   0.196  -1.386
  260    HG3  PRO  32           HG3      PRO  32  -6.187   1.627  -1.822
  261    HD2  PRO  32           HD2      PRO  32  -3.570   1.778  -0.407
  262    HD3  PRO  32           HD3      PRO  32  -4.155   2.588  -1.893
  263    H    SER  33           H        SER  33  -5.508   2.704   2.634
  264    HA   SER  33           HA       SER  33  -7.103   4.907   3.700
  265    HB2  SER  33           HB2      SER  33  -8.559   2.940   4.105
  266    HB3  SER  33           HB3      SER  33  -7.227   2.146   4.982
  267    HG   SER  33           HG       SER  33  -8.655   3.310   6.376
  268    H    GLY  34           H        GLY  34  -5.652   6.128   4.738
  269    HA2  GLY  34           HA2      GLY  34  -4.031   6.380   6.570
  270    HA3  GLY  34           HA3      GLY  34  -3.180   4.958   5.956
  271    H1   NAG 101           H1       NAG  35  11.114   1.924  -4.499
  272    H2   NAG 101           H2       NAG  35  12.024   2.817  -7.291
  273    H3   NAG 101           H3       NAG  35   9.217   2.133  -6.292
  274    H4   NAG 101           H4       NAG  35  11.013   0.665  -8.297
  275    H5   NAG 101           H5       NAG  35  10.074  -0.095  -5.512
  276    H61  NAG 101           H61      NAG  35  10.303  -2.224  -6.550
  277    H62  NAG 101           H62      NAG  35  11.640  -1.662  -7.581
  278    H81  NAG 101           H2M      NAG  35  11.574   6.772  -5.615
  279    H82  NAG 101           H3M      NAG  35   9.803   6.600  -5.633
  280    H83  NAG 101           H1M      NAG  35  10.641   7.330  -7.020
  281    HN2  NAG 101           H2N      NAG  35  11.008   4.341  -5.051
  282    HO3  NAG 101           H3O      NAG  35   9.936   3.697  -8.293
  283    HO4  NAG 101           H4O      NAG  35   8.660   0.796  -8.486
  284    HO6  NAG 101           H6O      NAG  35  12.526  -1.082  -5.369
  Start of MODEL    5
    1    H1   LYS   1           H1       LYS   1  -8.048   6.658   0.271
    2    H2   LYS   1           H2       LYS   1  -7.216   5.284  -0.014
    3    H3   LYS   1           H3       LYS   1  -8.540   5.294   1.005
    4    HA   LYS   1           HA       LYS   1 -10.043   5.829  -0.700
    5    HB2  LYS   1           HB2      LYS   1  -7.548   5.969  -2.364
    6    HB3  LYS   1           HB3      LYS   1  -9.099   5.571  -3.137
    7    HG2  LYS   1           HG2      LYS   1 -10.125   7.589  -2.521
    8    HG3  LYS   1           HG3      LYS   1  -9.030   7.868  -1.195
    9    HD2  LYS   1           HD2      LYS   1  -7.227   8.071  -3.225
   10    HD3  LYS   1           HD3      LYS   1  -8.699   8.514  -4.095
   11    HE2  LYS   1           HE2      LYS   1  -7.769  10.545  -3.239
   12    HE3  LYS   1           HE3      LYS   1  -9.178  10.188  -2.222
   13    HZ1  LYS   1           HZ1      LYS   1  -6.361   9.524  -1.565
   14    HZ2  LYS   1           HZ2      LYS   1  -7.185  10.801  -0.911
   15    HZ3  LYS   1           HZ3      LYS   1  -7.614   9.244  -0.549
   16    H    LEU   2           H        LEU   2  -7.502   3.312  -1.555
   17    HA   LEU   2           HA       LEU   2  -9.569   1.565  -2.275
   18    HB2  LEU   2           HB2      LEU   2  -6.937   0.328  -1.684
   19    HB3  LEU   2           HB3      LEU   2  -8.064  -0.030  -2.838
   20    HG   LEU   2           HG       LEU   2  -6.157   0.663  -3.943
   21   HD11  LEU   2          HD11      LEU   2  -7.387   1.950  -5.604
   22   HD12  LEU   2          HD12      LEU   2  -8.404   0.704  -4.854
   23   HD13  LEU   2          HD13      LEU   2  -8.597   2.405  -4.373
   24   HD21  LEU   2          HD21      LEU   2  -6.607   3.554  -3.101
   25   HD22  LEU   2          HD22      LEU   2  -5.186   2.534  -2.709
   26   HD23  LEU   2          HD23      LEU   2  -5.554   2.962  -4.363
   27    HA   PRO   3           HA       PRO   3 -11.118  -0.641   1.123
   28    HB2  PRO   3           HB2      PRO   3 -10.174  -3.173  -0.242
   29    HB3  PRO   3           HB3      PRO   3 -11.841  -2.799   0.318
   30    HG2  PRO   3           HG2      PRO   3 -11.282  -2.672  -2.267
   31    HG3  PRO   3           HG3      PRO   3 -12.119  -1.249  -1.528
   32    HD2  PRO   3           HD2      PRO   3  -9.108  -1.644  -1.914
   33    HD3  PRO   3           HD3      PRO   3 -10.145  -0.317  -2.498
   34    HA   PRO   4           HA       PRO   4  -8.781  -3.003   4.257
   35    HB2  PRO   4           HB2      PRO   4 -11.160  -4.871   4.137
   36    HB3  PRO   4           HB3      PRO   4 -10.326  -4.207   5.581
   37    HG2  PRO   4           HG2      PRO   4 -12.677  -3.141   4.774
   38    HG3  PRO   4           HG3      PRO   4 -11.330  -2.055   5.255
   39    HD2  PRO   4           HD2      PRO   4 -12.206  -2.856   2.477
   40    HD3  PRO   4           HD3      PRO   4 -11.767  -1.235   3.098
   41    H    GLY   5           H        GLY   5  -7.335  -4.742   4.099
   42    HA2  GLY   5           HA2      GLY   5  -6.668  -6.932   3.041
   43    HA3  GLY   5           HA3      GLY   5  -7.466  -6.362   1.581
   44    H    TRP   6           H        TRP   6  -6.561  -3.460   1.746
   45    HA   TRP   6           HA       TRP   6  -3.792  -3.782   0.873
   46    HB2  TRP   6           HB2      TRP   6  -5.592  -1.474   1.444
   47    HB3  TRP   6           HB3      TRP   6  -3.973  -1.328   0.806
   48    HD1  TRP   6           HD1      TRP   6  -7.489  -1.906  -0.490
   49    HE1  TRP   6           HE1      TRP   6  -7.441  -1.981  -2.924
   50    HE3  TRP   6           HE3      TRP   6  -2.478  -2.022  -1.088
   51    HZ2  TRP   6           HZ2      TRP   6  -5.455  -2.233  -5.081
   52    HZ3  TRP   6           HZ3      TRP   6  -1.531  -1.970  -3.298
   53    HH2  TRP   6           HH2      TRP   6  -2.974  -2.122  -5.368
   54    H    GLU   7           H        GLU   7  -1.927  -3.255   1.957
   55    HA   GLU   7           HA       GLU   7  -2.072  -1.786   4.505
   56    HB2  GLU   7           HB2      GLU   7  -1.426  -3.350   5.875
   57    HB3  GLU   7           HB3      GLU   7  -1.853  -4.520   4.666
   58    HG2  GLU   7           HG2      GLU   7   0.929  -3.425   5.271
   59    HG3  GLU   7           HG3      GLU   7   0.295  -4.982   5.725
   60    H    LYS   8           H        LYS   8   0.170  -1.012   5.225
   61    HA   LYS   8           HA       LYS   8   1.352   0.300   2.930
   62    HB2  LYS   8           HB2      LYS   8   0.964   1.363   5.111
   63    HB3  LYS   8           HB3      LYS   8   2.211   0.374   5.858
   64    HG2  LYS   8           HG2      LYS   8   3.161   1.793   3.432
   65    HG3  LYS   8           HG3      LYS   8   2.437   2.895   4.582
   66    HD2  LYS   8           HD2      LYS   8   4.765   2.862   5.023
   67    HD3  LYS   8           HD3      LYS   8   3.963   2.040   6.367
   68    HE2  LYS   8           HE2      LYS   8   4.571  -0.156   5.386
   69    HE3  LYS   8           HE3      LYS   8   5.314   0.662   4.000
   70    HZ1  LYS   8           HZ1      LYS   8   6.951   0.022   5.676
   71    HZ2  LYS   8           HZ2      LYS   8   6.911   1.659   5.520
   72    HZ3  LYS   8           HZ3      LYS   8   6.200   0.934   6.814
   73    H    ARG   9           H        ARG   9   3.183  -0.042   1.942
   74    HA   ARG   9           HA       ARG   9   4.916  -2.331   2.763
   75    HB2  ARG   9           HB2      ARG   9   3.080  -2.846   1.029
   76    HB3  ARG   9           HB3      ARG   9   3.955  -1.805  -0.079
   77    HG2  ARG   9           HG2      ARG   9   4.493  -4.125  -0.519
   78    HG3  ARG   9           HG3      ARG   9   5.927  -3.317   0.082
   79    HD2  ARG   9           HD2      ARG   9   5.838  -5.477   1.090
   80    HD3  ARG   9           HD3      ARG   9   5.514  -4.310   2.351
   81    HE   ARG   9           HE       ARG   9   3.131  -4.901   2.311
   82   HH11  ARG   9          HH21      ARG   9   5.008  -7.072   0.293
   83   HH12  ARG   9          HH22      ARG   9   3.843  -8.361   0.468
   84   HH21  ARG   9          HH12      ARG   9   1.697  -6.560   2.503
   85   HH22  ARG   9          HH11      ARG   9   2.058  -8.089   1.747
   86    H    MET  10           H        MET  10   7.118  -2.290   1.749
   87    HA   MET  10           HA       MET  10   7.996   0.464   1.085
   88    HB2  MET  10           HB2      MET  10   8.066  -0.138   3.591
   89    HB3  MET  10           HB3      MET  10   9.387  -1.233   3.172
   90    HG2  MET  10           HG2      MET  10  10.658   0.712   2.271
   91    HG3  MET  10           HG3      MET  10   9.317   1.771   2.623
   92    HE1  MET  10           HE1      MET  10  10.583   3.469   4.031
   93    HE2  MET  10           HE2      MET  10  11.654   3.063   5.392
   94    HE3  MET  10           HE3      MET  10  12.107   2.600   3.740
   95    H    PHE  11           H        PHE  11   9.757   0.636  -0.242
   96    HA   PHE  11           HA       PHE  11  10.533  -1.790  -1.674
   97    HB2  PHE  11           HB2      PHE  11  10.950   1.166  -2.061
   98    HB3  PHE  11           HB3      PHE  11  11.687  -0.041  -3.114
   99    HD1  PHE  11           HD1      PHE  11  10.064  -1.864  -4.113
  100    HD2  PHE  11           HD2      PHE  11   8.763   1.965  -2.582
  101    HE1  PHE  11           HE1      PHE  11   8.053  -1.949  -5.573
  102    HE2  PHE  11           HE2      PHE  11   6.869   1.944  -4.169
  103    HZ   PHE  11           HZ       PHE  11   6.493  -0.031  -5.630
  104    H    ARG  12           H        ARG  12  12.034  -3.004  -0.796
  105    HA   ARG  12           HA       ARG  12  14.327  -2.413   0.652
  106    HB2  ARG  12           HB2      ARG  12  15.283  -4.490  -0.366
  107    HB3  ARG  12           HB3      ARG  12  13.650  -4.663   0.252
  108    HG2  ARG  12           HG2      ARG  12  13.543  -5.865  -1.713
  109    HG3  ARG  12           HG3      ARG  12  12.834  -4.337  -2.183
  110    HD2  ARG  12           HD2      ARG  12  15.373  -3.826  -2.977
  111    HD3  ARG  12           HD3      ARG  12  15.483  -5.569  -2.933
  112    HE   ARG  12           HE       ARG  12  14.149  -5.695  -4.828
  113   HH11  ARG  12          HH11      ARG  12  13.898  -2.322  -3.648
  114   HH12  ARG  12          HH12      ARG  12  12.924  -1.920  -5.066
  115   HH21  ARG  12          HH21      ARG  12  12.980  -4.849  -6.652
  116   HH22  ARG  12          HH22      ARG  12  12.577  -3.136  -6.601
  117    H    SER  13           H        SER  13  16.497  -1.955   0.159
  118    HA   SER  13           HA       SER  13  18.203  -0.885  -0.784
  119    HB2  SER  13           HB2      SER  13  17.107  -1.682  -3.488
  120    HB3  SER  13           HB3      SER  13  18.783  -1.313  -3.049
  121    HG   SER  13           HG       SER  13  18.564  -3.516  -3.031
  122    H    ASN  14           H        ASN  14  15.110   0.564  -1.416
  123    HA   ASN  14           HA       ASN  14  16.701   3.049  -1.756
  124    HB2  ASN  14           HB2      ASN  14  15.460   3.977  -3.485
  125    HB3  ASN  14           HB3      ASN  14  15.863   2.351  -4.013
  126   HD21  ASN  14          HD21      ASN  14  14.135   3.044  -5.580
  127    H    GLY  15           H        GLY  15  13.913   1.538  -0.279
  128    HA2  GLY  15           HA2      GLY  15  13.021   2.116   1.737
  129    HA3  GLY  15           HA3      GLY  15  13.942   3.619   1.781
  130    H    THR  16           H        THR  16  12.199   3.188  -1.165
  131    HA   THR  16           HA       THR  16  10.263   5.298  -0.580
  132    HB   THR  16           HB       THR  16  10.524   3.265  -2.822
  133    HG1  THR  16           HG1      THR  16  12.032   5.060  -2.304
  134   HG21  THR  16          HG21      THR  16   8.675   5.687  -2.715
  135   HG22  THR  16          HG22      THR  16   9.050   4.737  -4.166
  136   HG23  THR  16          HG23      THR  16   8.169   3.984  -2.848
  137    H    VAL  17           H        VAL  17   7.854   4.775  -0.872
  138    HA   VAL  17           HA       VAL  17   7.063   2.389   0.667
  139    HB   VAL  17           HB       VAL  17   6.632   5.256   1.501
  140   HG11  VAL  17          HG11      VAL  17   4.775   2.974   2.271
  141   HG12  VAL  17          HG12      VAL  17   4.852   4.560   3.073
  142   HG13  VAL  17          HG13      VAL  17   4.323   4.457   1.398
  143   HG21  VAL  17          HG21      VAL  17   7.143   2.661   3.021
  144   HG22  VAL  17          HG22      VAL  17   8.393   3.857   2.576
  145   HG23  VAL  17          HG23      VAL  17   7.124   4.298   3.726
  146    H    TYR  18           H        TYR  18   4.995   1.768   0.294
  147    HA   TYR  18           HA       TYR  18   3.161   3.101  -1.501
  148    HB2  TYR  18           HB2      TYR  18   3.161   1.489  -3.244
  149    HB3  TYR  18           HB3      TYR  18   4.774   2.120  -3.103
  150    HD1  TYR  18           HD1      TYR  18   6.383   0.597  -1.451
  151    HD2  TYR  18           HD2      TYR  18   2.947  -0.741  -3.701
  152    HE1  TYR  18           HE1      TYR  18   7.358  -1.658  -1.568
  153    HE2  TYR  18           HE2      TYR  18   3.937  -3.055  -3.770
  154    HH   TYR  18           HH       TYR  18   7.158  -3.758  -2.453
  155    H    TYR  19           H        TYR  19   1.567   0.744  -2.043
  156    HA   TYR  19           HA       TYR  19   1.106  -0.446   0.604
  157    HB2  TYR  19           HB2      TYR  19  -0.763   1.303  -0.993
  158    HB3  TYR  19           HB3      TYR  19  -1.423  -0.109  -0.202
  159    HD1  TYR  19           HD1      TYR  19   0.618   2.983   0.569
  160    HD2  TYR  19           HD2      TYR  19  -2.034  -0.086   2.033
  161    HE1  TYR  19           HE1      TYR  19   0.500   4.128   2.752
  162    HE2  TYR  19           HE2      TYR  19  -2.260   1.130   4.182
  163    HH   TYR  19           HH       TYR  19  -0.472   4.162   4.836
  164    H    PHE  20           H        PHE  20   0.102  -2.437   0.506
  165    HA   PHE  20           HA       PHE  20   0.031  -3.799  -2.150
  166    HB2  PHE  20           HB2      PHE  20   2.153  -4.124  -0.942
  167    HB3  PHE  20           HB3      PHE  20   1.285  -4.757   0.447
  168    HD1  PHE  20           HD1      PHE  20   0.158  -7.001   0.339
  169    HD2  PHE  20           HD2      PHE  20   2.508  -5.466  -2.942
  170    HE1  PHE  20           HE1      PHE  20   0.348  -9.294  -0.630
  171    HE2  PHE  20           HE2      PHE  20   2.583  -7.744  -3.942
  172    HZ   PHE  20           HZ       PHE  20   1.490  -9.658  -2.749
  173    H    ASN  21           H        ASN  21  -1.698  -5.098  -2.423
  174    HA   ASN  21           HA       ASN  21  -3.614  -5.409  -0.190
  175    HB2  ASN  21           HB2      ASN  21  -4.312  -4.690  -2.535
  176    HB3  ASN  21           HB3      ASN  21  -3.982  -6.339  -3.027
  177   HD21  ASN  21          HD22      ASN  21  -6.427  -4.281  -1.742
  178   HD22  ASN  21          HD21      ASN  21  -7.432  -5.593  -1.139
  179    H    HIS  22           H        HIS  22  -2.874  -6.937   1.242
  180    HA   HIS  22           HA       HIS  22  -1.512  -9.336   0.255
  181    HB2  HIS  22           HB2      HIS  22  -1.410  -9.978   2.601
  182    HB3  HIS  22           HB3      HIS  22  -0.861  -8.330   2.367
  183    HD2  HIS  22           HD2      HIS  22  -1.942  -6.495   3.771
  184    HE1  HIS  22           HE1      HIS  22  -5.281  -8.641   5.334
  185    HE2  HIS  22           HE2      HIS  22  -3.991  -6.424   5.426
  186    H    ILE  23           H        ILE  23  -4.790  -8.526   0.378
  187    HA   ILE  23           HA       ILE  23  -5.721 -11.314   0.632
  188    HB   ILE  23           HB       ILE  23  -7.053  -8.610   0.362
  189   HG12  ILE  23          HG12      ILE  23  -7.111 -10.840   2.431
  190   HG13  ILE  23          HG13      ILE  23  -6.307  -9.281   2.570
  191   HG21  ILE  23          HG21      ILE  23  -8.321 -10.065  -1.137
  192   HG22  ILE  23          HG22      ILE  23  -8.498 -11.264   0.171
  193   HG23  ILE  23          HG23      ILE  23  -9.236  -9.641   0.303
  194   HD11  ILE  23          HD11      ILE  23  -9.289  -9.832   2.623
  195   HD12  ILE  23          HD12      ILE  23  -8.271  -9.117   3.882
  196   HD13  ILE  23          HD13      ILE  23  -8.632  -8.195   2.410
  197    H    THR  24           H        THR  24  -5.199  -8.905  -1.986
  198    HA   THR  24           HA       THR  24  -5.939 -11.026  -3.972
  199    HB   THR  24           HB       THR  24  -6.246  -9.301  -5.572
  200    HG1  THR  24           HG1      THR  24  -6.002  -7.122  -4.957
  201   HG21  THR  24          HG21      THR  24  -8.132  -9.677  -3.974
  202   HG22  THR  24          HG22      THR  24  -7.537  -8.319  -2.995
  203   HG23  THR  24          HG23      THR  24  -8.100  -8.041  -4.657
  204    H    ASN  25           H        ASN  25  -3.207  -9.287  -2.903
  205    HA   ASN  25           HA       ASN  25  -1.012  -9.462  -3.284
  206    HB2  ASN  25           HB2      ASN  25  -1.464 -10.906  -5.919
  207    HB3  ASN  25           HB3      ASN  25   0.057 -10.675  -5.078
  208   HD21  ASN  25          HD22      ASN  25  -2.993 -12.413  -5.027
  209   HD22  ASN  25          HD21      ASN  25  -2.428 -13.659  -3.890
  210    H    ALA  26           H        ALA  26  -3.168  -7.519  -4.740
  211    HA   ALA  26           HA       ALA  26  -1.617  -6.305  -6.834
  212    HB1  ALA  26           HB1      ALA  26  -4.077  -6.090  -6.568
  213    HB2  ALA  26           HB2      ALA  26  -3.822  -5.116  -5.098
  214    HB3  ALA  26           HB3      ALA  26  -3.283  -4.509  -6.674
  215    H    SER  27           H        SER  27  -0.817  -4.001  -6.826
  216    HA   SER  27           HA       SER  27   0.149  -2.932  -4.230
  217    HB2  SER  27           HB2      SER  27   2.272  -2.275  -5.352
  218    HB3  SER  27           HB3      SER  27   2.106  -3.984  -4.979
  219    HG   SER  27           HG       SER  27   1.454  -2.827  -7.507
  220    H    GLN  28           H        GLN  28   0.099  -0.703  -4.108
  221    HA   GLN  28           HA       GLN  28  -0.204   0.992  -6.488
  222    HB2  GLN  28           HB2      GLN  28  -2.511   0.331  -6.084
  223    HB3  GLN  28           HB3      GLN  28  -2.358   0.629  -4.356
  224    HG2  GLN  28           HG2      GLN  28  -3.685   2.331  -5.606
  225    HG3  GLN  28           HG3      GLN  28  -2.371   2.980  -4.635
  226   HE21  GLN  28          HE22      GLN  28  -3.028   1.945  -8.100
  227   HE22  GLN  28          HE21      GLN  28  -2.040   3.262  -8.711
  228    H    PHE  29           H        PHE  29   0.300   3.286  -5.882
  229    HA   PHE  29           HA       PHE  29   1.956   3.363  -3.411
  230    HB2  PHE  29           HB2      PHE  29   1.887   5.098  -5.873
  231    HB3  PHE  29           HB3      PHE  29   2.756   5.513  -4.407
  232    HD1  PHE  29           HD1      PHE  29   2.786   1.894  -5.640
  233    HD2  PHE  29           HD2      PHE  29   4.898   5.689  -5.440
  234    HE1  PHE  29           HE1      PHE  29   4.710   0.893  -6.701
  235    HE2  PHE  29           HE2      PHE  29   6.870   4.603  -6.449
  236    HZ   PHE  29           HZ       PHE  29   6.775   2.214  -7.116
  237    H    GLU  30           H        GLU  30  -0.976   4.868  -4.849
  238    HA   GLU  30           HA       GLU  30  -1.299   6.720  -2.644
  239    HB2  GLU  30           HB2      GLU  30  -2.488   7.205  -4.640
  240    HB3  GLU  30           HB3      GLU  30  -3.200   5.597  -4.699
  241    HG2  GLU  30           HG2      GLU  30  -4.852   7.282  -4.108
  242    HG3  GLU  30           HG3      GLU  30  -4.679   6.075  -2.852
  243    H    ARG  31           H        ARG  31  -2.618   6.549  -0.855
  244    HA   ARG  31           HA       ARG  31  -2.351   3.909   0.399
  245    HB2  ARG  31           HB2      ARG  31  -3.269   6.287   1.947
  246    HB3  ARG  31           HB3      ARG  31  -2.327   4.934   2.450
  247    HG2  ARG  31           HG2      ARG  31  -0.411   6.058   2.164
  248    HG3  ARG  31           HG3      ARG  31  -0.707   6.306   0.474
  249    HD2  ARG  31           HD2      ARG  31  -1.417   8.107   2.795
  250    HD3  ARG  31           HD3      ARG  31  -0.379   8.453   1.417
  251    HE   ARG  31           HE       ARG  31  -2.424   8.521  -0.041
  252   HH11  ARG  31          HH11      ARG  31  -3.217   8.700   3.454
  253   HH12  ARG  31          HH12      ARG  31  -4.919   8.944   2.975
  254   HH21  ARG  31          HH21      ARG  31  -4.567   8.917  -0.336
  255   HH22  ARG  31          HH22      ARG  31  -5.571   9.026   1.156
  256    HA   PRO  32           HA       PRO  32  -6.776   3.050   0.431
  257    HB2  PRO  32           HB2      PRO  32  -5.438   0.856   2.057
  258    HB3  PRO  32           HB3      PRO  32  -6.966   0.744   1.159
  259    HG2  PRO  32           HG2      PRO  32  -5.065   0.183  -0.424
  260    HG3  PRO  32           HG3      PRO  32  -5.756   1.684  -0.870
  261    HD2  PRO  32           HD2      PRO  32  -3.457   1.585   1.038
  262    HD3  PRO  32           HD3      PRO  32  -3.488   2.293  -0.609
  263    H    SER  33           H        SER  33  -8.459   2.703   2.036
  264    HA   SER  33           HA       SER  33  -9.767   3.405   3.673
  265    HB2  SER  33           HB2      SER  33  -9.101   4.319   5.777
  266    HB3  SER  33           HB3      SER  33  -8.105   2.908   5.399
  267    HG   SER  33           HG       SER  33  -6.518   4.451   4.589
  268    H    GLY  34           H        GLY  34  -7.682   6.181   4.076
  269    HA2  GLY  34           HA2      GLY  34  -9.595   7.887   2.472
  270    HA3  GLY  34           HA3      GLY  34  -8.678   8.434   3.872
  271    H1   NAG 101           H1       NAG  35  11.408   2.389  -4.570
  272    H2   NAG 101           H2       NAG  35  12.261   3.708  -7.209
  273    H3   NAG 101           H3       NAG  35   9.459   3.034  -6.177
  274    H4   NAG 101           H4       NAG  35  11.056   1.834  -8.498
  275    H5   NAG 101           H5       NAG  35  10.227   0.634  -5.828
  276    H61  NAG 101           H61      NAG  35  10.305  -1.325  -7.108
  277    H62  NAG 101           H62      NAG  35  11.363  -0.588  -8.332
  278    H81  NAG 101           H2M      NAG  35  12.094   7.348  -4.856
  279    H82  NAG 101           H3M      NAG  35  10.316   7.272  -4.855
  280    H83  NAG 101           H1M      NAG  35  11.167   8.185  -6.119
  281    HN2  NAG 101           H2N      NAG  35  11.420   4.890  -4.700
  282    HO3  NAG 101           H3O      NAG  35  10.198   4.866  -7.933
  283    HO4  NAG 101           H4O      NAG  35   8.720   2.120  -8.532
  284    HO6  NAG 101           H6O      NAG  35  12.798  -0.356  -6.400
  Start of MODEL    6
    1    H1   LYS   1           H1       LYS   1 -10.769   0.262   8.026
    2    H2   LYS   1           H2       LYS   1 -11.654   1.627   7.772
    3    H3   LYS   1           H3       LYS   1 -10.873   1.405   9.199
    4    HA   LYS   1           HA       LYS   1  -9.715   3.007   7.869
    5    HB2  LYS   1           HB2      LYS   1  -8.402   1.608   9.414
    6    HB3  LYS   1           HB3      LYS   1  -8.204   0.390   8.160
    7    HG2  LYS   1           HG2      LYS   1  -6.181   1.614   8.263
    8    HG3  LYS   1           HG3      LYS   1  -6.956   2.097   6.762
    9    HD2  LYS   1           HD2      LYS   1  -7.683   4.241   7.829
   10    HD3  LYS   1           HD3      LYS   1  -6.967   3.694   9.356
   11    HE2  LYS   1           HE2      LYS   1  -5.261   5.039   8.489
   12    HE3  LYS   1           HE3      LYS   1  -4.762   3.407   8.033
   13    HZ1  LYS   1           HZ1      LYS   1  -6.061   4.037   5.835
   14    HZ2  LYS   1           HZ2      LYS   1  -5.815   5.557   6.308
   15    HZ3  LYS   1           HZ3      LYS   1  -4.519   4.610   6.043
   16    H    LEU   2           H        LEU   2  -9.417  -0.232   6.108
   17    HA   LEU   2           HA       LEU   2  -9.427   1.251   3.574
   18    HB2  LEU   2           HB2      LEU   2  -7.326  -0.077   2.986
   19    HB3  LEU   2           HB3      LEU   2  -7.180   1.335   4.004
   20    HG   LEU   2           HG       LEU   2  -6.910  -0.080   6.008
   21   HD11  LEU   2          HD11      LEU   2  -6.407  -2.492   5.745
   22   HD12  LEU   2          HD12      LEU   2  -8.101  -2.117   5.462
   23   HD13  LEU   2          HD13      LEU   2  -7.024  -2.428   4.087
   24   HD21  LEU   2          HD21      LEU   2  -4.996   0.754   4.803
   25   HD22  LEU   2          HD22      LEU   2  -4.654  -0.880   5.405
   26   HD23  LEU   2          HD23      LEU   2  -5.034  -0.624   3.690
   27    HA   PRO   3           HA       PRO   3 -11.631  -2.218   2.102
   28    HB2  PRO   3           HB2      PRO   3  -9.950  -2.563  -0.338
   29    HB3  PRO   3           HB3      PRO   3 -11.678  -2.161  -0.205
   30    HG2  PRO   3           HG2      PRO   3  -9.814  -0.284  -0.919
   31    HG3  PRO   3           HG3      PRO   3 -11.267   0.113   0.052
   32    HD2  PRO   3           HD2      PRO   3  -8.443  -0.330   1.002
   33    HD3  PRO   3           HD3      PRO   3  -9.631   0.905   1.494
   34    HA   PRO   4           HA       PRO   4 -10.035  -5.919   3.464
   35    HB2  PRO   4           HB2      PRO   4 -11.044  -7.937   1.828
   36    HB3  PRO   4           HB3      PRO   4 -11.944  -7.057   3.098
   37    HG2  PRO   4           HG2      PRO   4 -11.871  -6.495   0.125
   38    HG3  PRO   4           HG3      PRO   4 -13.297  -6.544   1.212
   39    HD2  PRO   4           HD2      PRO   4 -12.174  -4.208   0.505
   40    HD3  PRO   4           HD3      PRO   4 -12.727  -4.451   2.188
   41    H    GLY   5           H        GLY   5  -8.011  -6.395   3.506
   42    HA2  GLY   5           HA2      GLY   5  -6.280  -7.905   2.727
   43    HA3  GLY   5           HA3      GLY   5  -6.632  -7.423   1.084
   44    H    TRP   6           H        TRP   6  -6.779  -4.372   2.137
   45    HA   TRP   6           HA       TRP   6  -4.055  -4.046   1.182
   46    HB2  TRP   6           HB2      TRP   6  -6.038  -1.968   2.104
   47    HB3  TRP   6           HB3      TRP   6  -4.448  -1.630   1.477
   48    HD1  TRP   6           HD1      TRP   6  -7.892  -2.389   0.381
   49    HE1  TRP   6           HE1      TRP   6  -8.035  -2.115  -2.186
   50    HE3  TRP   6           HE3      TRP   6  -2.937  -2.207  -0.653
   51    HZ2  TRP   6           HZ2      TRP   6  -6.181  -2.178  -4.428
   52    HZ3  TRP   6           HZ3      TRP   6  -2.126  -2.085  -2.988
   53    HH2  TRP   6           HH2      TRP   6  -3.740  -2.120  -4.888
   54    H    GLU   7           H        GLU   7  -2.236  -3.446   2.065
   55    HA   GLU   7           HA       GLU   7  -2.136  -2.484   4.879
   56    HB2  GLU   7           HB2      GLU   7  -1.935  -5.011   4.620
   57    HB3  GLU   7           HB3      GLU   7  -0.442  -4.731   3.719
   58    HG2  GLU   7           HG2      GLU   7   0.555  -3.669   5.722
   59    HG3  GLU   7           HG3      GLU   7  -0.981  -3.846   6.593
   60    H    LYS   8           H        LYS   8  -0.266  -1.153   5.302
   61    HA   LYS   8           HA       LYS   8   0.826   0.208   3.001
   62    HB2  LYS   8           HB2      LYS   8   0.382   1.188   5.255
   63    HB3  LYS   8           HB3      LYS   8   1.779   0.314   5.891
   64    HG2  LYS   8           HG2      LYS   8   3.222   1.571   4.225
   65    HG3  LYS   8           HG3      LYS   8   1.792   2.449   3.690
   66    HD2  LYS   8           HD2      LYS   8   2.791   2.424   6.574
   67    HD3  LYS   8           HD3      LYS   8   3.259   3.654   5.410
   68    HE2  LYS   8           HE2      LYS   8   0.335   3.083   6.055
   69    HE3  LYS   8           HE3      LYS   8   1.300   4.186   7.038
   70    HZ1  LYS   8           HZ1      LYS   8  -0.016   5.216   5.119
   71    HZ2  LYS   8           HZ2      LYS   8   1.576   5.626   5.219
   72    HZ3  LYS   8           HZ3      LYS   8   1.060   4.505   4.127
   73    H    ARG   9           H        ARG   9   2.894   0.188   2.186
   74    HA   ARG   9           HA       ARG   9   4.664  -2.076   3.005
   75    HB2  ARG   9           HB2      ARG   9   2.792  -2.692   1.280
   76    HB3  ARG   9           HB3      ARG   9   3.708  -1.731   0.133
   77    HG2  ARG   9           HG2      ARG   9   4.230  -4.070  -0.152
   78    HG3  ARG   9           HG3      ARG   9   5.652  -3.263   0.470
   79    HD2  ARG   9           HD2      ARG   9   5.567  -5.270   1.652
   80    HD3  ARG   9           HD3      ARG   9   4.973  -4.108   2.816
   81    HE   ARG   9           HE       ARG   9   3.356  -6.105   1.283
   82   HH11  ARG   9          HH11      ARG   9   3.026  -3.824   4.091
   83   HH12  ARG   9          HH12      ARG   9   2.209  -5.145   4.931
   84   HH21  ARG   9          HH21      ARG   9   2.067  -7.467   2.626
   85   HH22  ARG   9          HH22      ARG   9   1.605  -6.762   4.194
   86    H    MET  10           H        MET  10   6.851  -2.009   2.125
   87    HA   MET  10           HA       MET  10   7.664   0.711   1.272
   88    HB2  MET  10           HB2      MET  10   7.753   0.419   3.792
   89    HB3  MET  10           HB3      MET  10   8.976  -0.834   3.528
   90    HG2  MET  10           HG2      MET  10  10.269   0.956   2.189
   91    HG3  MET  10           HG3      MET  10   9.143   2.125   2.830
   92    HE1  MET  10           HE1      MET  10   8.635   1.414   5.822
   93    HE2  MET  10           HE2      MET  10   9.966   2.299   6.600
   94    HE3  MET  10           HE3      MET  10   9.100   3.028   5.229
   95    H    PHE  11           H        PHE  11   9.327   0.819  -0.108
   96    HA   PHE  11           HA       PHE  11  10.294  -1.658  -1.312
   97    HB2  PHE  11           HB2      PHE  11  10.577   1.277  -1.955
   98    HB3  PHE  11           HB3      PHE  11  11.326   0.002  -2.903
   99    HD1  PHE  11           HD2      PHE  11   9.782  -1.952  -3.703
  100    HD2  PHE  11           HD1      PHE  11   8.279   1.930  -2.504
  101    HE1  PHE  11           HE2      PHE  11   7.820  -2.229  -5.198
  102    HE2  PHE  11           HE1      PHE  11   6.478   1.728  -4.175
  103    HZ   PHE  11           HZ       PHE  11   6.214  -0.368  -5.466
  104    H    ARG  12           H        ARG  12  11.751  -2.627  -0.033
  105    HA   ARG  12           HA       ARG  12  14.037  -1.631   1.222
  106    HB2  ARG  12           HB2      ARG  12  15.029  -3.892   0.773
  107    HB3  ARG  12           HB3      ARG  12  13.410  -3.913   1.448
  108    HG2  ARG  12           HG2      ARG  12  13.290  -5.600  -0.118
  109    HG3  ARG  12           HG3      ARG  12  12.548  -4.266  -0.969
  110    HD2  ARG  12           HD2      ARG  12  15.057  -3.954  -1.931
  111    HD3  ARG  12           HD3      ARG  12  15.211  -5.614  -1.404
  112    HE   ARG  12           HE       ARG  12  13.840  -6.294  -3.141
  113   HH11  ARG  12          HH11      ARG  12  13.537  -2.760  -2.954
  114   HH12  ARG  12          HH12      ARG  12  12.643  -2.700  -4.462
  115   HH21  ARG  12          HH21      ARG  12  12.669  -6.068  -5.074
  116   HH22  ARG  12          HH22      ARG  12  12.174  -4.467  -5.560
  117    H    SER  13           H        SER  13  16.162  -1.233   0.601
  118    HA   SER  13           HA       SER  13  17.880  -0.469  -0.563
  119    HB2  SER  13           HB2      SER  13  18.391  -1.057  -2.796
  120    HB3  SER  13           HB3      SER  13  17.628  -2.454  -2.021
  121    HG   SER  13           HG       SER  13  15.606  -1.524  -2.961
  122    H    ASN  14           H        ASN  14  14.763   0.934  -1.187
  123    HA   ASN  14           HA       ASN  14  16.334   3.394  -1.672
  124    HB2  ASN  14           HB2      ASN  14  15.107   4.232  -3.457
  125    HB3  ASN  14           HB3      ASN  14  15.541   2.587  -3.890
  126   HD21  ASN  14          HD21      ASN  14  13.881   2.743  -5.524
  127    H    GLY  15           H        GLY  15  13.435   2.004  -0.200
  128    HA2  GLY  15           HA2      GLY  15  12.709   2.743   1.909
  129    HA3  GLY  15           HA3      GLY  15  13.501   4.304   1.672
  130    H    THR  16           H        THR  16  11.767   3.483  -1.108
  131    HA   THR  16           HA       THR  16   9.684   5.456  -0.774
  132    HB   THR  16           HB       THR  16   9.919   3.136  -2.721
  133    HG1  THR  16           HG1      THR  16  11.613   4.312  -2.899
  134   HG21  THR  16          HG21      THR  16   8.555   4.495  -4.272
  135   HG22  THR  16          HG22      THR  16   7.633   3.972  -2.877
  136   HG23  THR  16          HG23      THR  16   8.233   5.652  -2.960
  137    H    VAL  17           H        VAL  17   7.314   4.821  -0.942
  138    HA   VAL  17           HA       VAL  17   6.585   2.507   0.718
  139    HB   VAL  17           HB       VAL  17   6.087   5.380   1.527
  140   HG11  VAL  17          HG11      VAL  17   3.845   4.359   1.639
  141   HG12  VAL  17          HG12      VAL  17   4.510   2.974   2.531
  142   HG13  VAL  17          HG13      VAL  17   4.505   4.593   3.257
  143   HG21  VAL  17          HG21      VAL  17   6.834   4.542   3.731
  144   HG22  VAL  17          HG22      VAL  17   6.924   2.890   3.080
  145   HG23  VAL  17          HG23      VAL  17   8.043   4.154   2.501
  146    H    TYR  18           H        TYR  18   4.520   1.842   0.393
  147    HA   TYR  18           HA       TYR  18   2.668   3.066  -1.506
  148    HB2  TYR  18           HB2      TYR  18   2.842   1.429  -3.194
  149    HB3  TYR  18           HB3      TYR  18   4.431   2.077  -2.957
  150    HD1  TYR  18           HD1      TYR  18   5.980   0.628  -1.248
  151    HD2  TYR  18           HD2      TYR  18   2.619  -0.845  -3.529
  152    HE1  TYR  18           HE1      TYR  18   6.980  -1.636  -1.249
  153    HE2  TYR  18           HE2      TYR  18   3.626  -3.116  -3.518
  154    HH   TYR  18           HH       TYR  18   5.469  -4.376  -2.968
  155    H    TYR  19           H        TYR  19   1.121   0.756  -2.030
  156    HA   TYR  19           HA       TYR  19   0.630  -0.470   0.620
  157    HB2  TYR  19           HB2      TYR  19  -1.228   1.259  -0.974
  158    HB3  TYR  19           HB3      TYR  19  -1.893  -0.225  -0.335
  159    HD1  TYR  19           HD1      TYR  19  -0.052   2.831   0.705
  160    HD2  TYR  19           HD2      TYR  19  -2.447  -0.500   1.950
  161    HE1  TYR  19           HE1      TYR  19  -0.510   3.979   2.892
  162    HE2  TYR  19           HE2      TYR  19  -2.732   0.543   4.201
  163    HH   TYR  19           HH       TYR  19  -2.376   3.715   4.932
  164    H    PHE  20           H        PHE  20  -0.283  -2.469   0.549
  165    HA   PHE  20           HA       PHE  20  -0.251  -3.901  -2.067
  166    HB2  PHE  20           HB2      PHE  20   1.891  -3.971  -0.838
  167    HB3  PHE  20           HB3      PHE  20   1.086  -4.682   0.556
  168    HD1  PHE  20           HD1      PHE  20   2.329  -5.245  -2.859
  169    HD2  PHE  20           HD2      PHE  20   0.266  -7.033   0.471
  170    HE1  PHE  20           HE1      PHE  20   2.594  -7.490  -3.901
  171    HE2  PHE  20           HE2      PHE  20   0.613  -9.292  -0.540
  172    HZ   PHE  20           HZ       PHE  20   1.744  -9.509  -2.732
  173    H    ASN  21           H        ASN  21  -1.952  -5.230  -2.330
  174    HA   ASN  21           HA       ASN  21  -3.797  -5.659  -0.054
  175    HB2  ASN  21           HB2      ASN  21  -4.678  -4.782  -2.258
  176    HB3  ASN  21           HB3      ASN  21  -4.195  -6.292  -2.980
  177   HD21  ASN  21          HD22      ASN  21  -6.643  -4.687  -1.049
  178   HD22  ASN  21          HD21      ASN  21  -7.574  -6.134  -0.682
  179    H    HIS  22           H        HIS  22  -2.874  -7.324   1.196
  180    HA   HIS  22           HA       HIS  22  -1.605  -9.575  -0.201
  181    HB2  HIS  22           HB2      HIS  22  -1.150 -10.460   2.052
  182    HB3  HIS  22           HB3      HIS  22  -0.517  -8.866   1.736
  183    HD2  HIS  22           HD2      HIS  22  -0.851  -7.131   3.528
  184    HE1  HIS  22           HE1      HIS  22  -3.678  -9.185   5.947
  185    HE2  HIS  22           HE2      HIS  22  -1.954  -7.257   5.873
  186    H    ILE  23           H        ILE  23  -4.813  -9.035   0.002
  187    HA   ILE  23           HA       ILE  23  -5.484 -11.924   0.334
  188    HB   ILE  23           HB       ILE  23  -7.053  -9.352   0.216
  189   HG12  ILE  23          HG12      ILE  23  -6.908 -11.745   2.118
  190   HG13  ILE  23          HG13      ILE  23  -6.195 -10.161   2.382
  191   HG21  ILE  23          HG21      ILE  23  -9.157 -10.543   0.137
  192   HG22  ILE  23          HG22      ILE  23  -8.248 -10.791  -1.342
  193   HG23  ILE  23          HG23      ILE  23  -8.301 -12.090  -0.122
  194   HD11  ILE  23          HD11      ILE  23  -9.138 -10.907   2.428
  195   HD12  ILE  23          HD12      ILE  23  -8.141 -10.251   3.735
  196   HD13  ILE  23          HD13      ILE  23  -8.585  -9.221   2.358
  197    H    THR  24           H        THR  24  -5.112  -9.423  -2.100
  198    HA   THR  24           HA       THR  24  -5.815 -11.373  -4.275
  199    HB   THR  24           HB       THR  24  -6.023  -9.370  -5.710
  200    HG1  THR  24           HG1      THR  24  -5.734  -7.939  -3.297
  201   HG21  THR  24          HG21      THR  24  -7.641  -9.042  -3.140
  202   HG22  THR  24          HG22      THR  24  -8.028  -8.386  -4.740
  203   HG23  THR  24          HG23      THR  24  -8.049 -10.143  -4.477
  204    H    ASN  25           H        ASN  25  -3.178  -9.556  -2.993
  205    HA   ASN  25           HA       ASN  25  -0.979  -9.528  -3.319
  206    HB2  ASN  25           HB2      ASN  25  -1.257 -10.924  -6.002
  207    HB3  ASN  25           HB3      ASN  25   0.226 -10.605  -5.120
  208   HD21  ASN  25          HD22      ASN  25  -2.669 -12.580  -5.204
  209   HD22  ASN  25          HD21      ASN  25  -2.042 -13.807  -4.081
  210    H    ALA  26           H        ALA  26  -3.254  -7.699  -4.670
  211    HA   ALA  26           HA       ALA  26  -1.833  -6.370  -6.791
  212    HB1  ALA  26           HB1      ALA  26  -4.060  -5.295  -5.009
  213    HB2  ALA  26           HB2      ALA  26  -3.599  -4.704  -6.612
  214    HB3  ALA  26           HB3      ALA  26  -4.315  -6.319  -6.443
  215    H    SER  27           H        SER  27  -1.100  -4.075  -6.749
  216    HA   SER  27           HA       SER  27  -0.234  -2.976  -4.135
  217    HB2  SER  27           HB2      SER  27   1.915  -2.291  -5.168
  218    HB3  SER  27           HB3      SER  27   1.778  -4.015  -4.855
  219    HG   SER  27           HG       SER  27   1.104  -2.828  -7.354
  220    H    GLN  28           H        GLN  28  -0.421  -0.767  -4.056
  221    HA   GLN  28           HA       GLN  28  -0.656   0.806  -6.553
  222    HB2  GLN  28           HB2      GLN  28  -2.720   0.690  -4.319
  223    HB3  GLN  28           HB3      GLN  28  -2.466   2.169  -5.245
  224    HG2  GLN  28           HG2      GLN  28  -2.928   1.001  -7.356
  225    HG3  GLN  28           HG3      GLN  28  -3.150  -0.524  -6.497
  226   HE21  GLN  28          HE22      GLN  28  -4.542   2.765  -7.001
  227   HE22  GLN  28          HE21      GLN  28  -6.146   2.265  -6.425
  228    H    PHE  29           H        PHE  29   0.049   3.007  -6.223
  229    HA   PHE  29           HA       PHE  29   1.822   3.293  -3.819
  230    HB2  PHE  29           HB2      PHE  29   1.797   4.706  -6.483
  231    HB3  PHE  29           HB3      PHE  29   2.681   5.287  -5.082
  232    HD1  PHE  29           HD1      PHE  29   2.617   1.551  -5.717
  233    HD2  PHE  29           HD2      PHE  29   4.789   5.274  -6.244
  234    HE1  PHE  29           HE1      PHE  29   4.489   0.339  -6.658
  235    HE2  PHE  29           HE2      PHE  29   6.729   3.989  -7.081
  236    HZ   PHE  29           HZ       PHE  29   6.574   1.523  -7.327
  237    H    GLU  30           H        GLU  30  -1.094   4.329  -5.320
  238    HA   GLU  30           HA       GLU  30  -1.703   6.620  -3.694
  239    HB2  GLU  30           HB2      GLU  30  -3.790   4.729  -4.779
  240    HB3  GLU  30           HB3      GLU  30  -3.837   6.472  -4.603
  241    HG2  GLU  30           HG2      GLU  30  -3.672   6.267  -6.892
  242    HG3  GLU  30           HG3      GLU  30  -1.977   6.479  -6.479
  243    H    ARG  31           H        ARG  31  -2.330   6.619  -1.534
  244    HA   ARG  31           HA       ARG  31  -2.389   4.049  -0.104
  245    HB2  ARG  31           HB2      ARG  31  -2.749   6.891   0.963
  246    HB3  ARG  31           HB3      ARG  31  -2.657   5.402   1.901
  247    HG2  ARG  31           HG2      ARG  31  -0.510   6.085   2.134
  248    HG3  ARG  31           HG3      ARG  31  -0.338   5.062   0.719
  249    HD2  ARG  31           HD2      ARG  31  -0.927   7.752  -0.145
  250    HD3  ARG  31           HD3      ARG  31   0.306   7.825   1.113
  251    HE   ARG  31           HE       ARG  31   0.511   6.429  -1.527
  252   HH11  ARG  31          HH11      ARG  31   2.316   7.287   1.374
  253   HH12  ARG  31          HH12      ARG  31   3.802   6.707   0.649
  254   HH21  ARG  31          HH21      ARG  31   2.245   5.783  -2.283
  255   HH22  ARG  31          HH22      ARG  31   3.756   5.637  -1.392
  256    HA   PRO  32           HA       PRO  32  -6.816   3.612  -0.807
  257    HB2  PRO  32           HB2      PRO  32  -6.704   2.120   1.808
  258    HB3  PRO  32           HB3      PRO  32  -7.529   1.679   0.284
  259    HG2  PRO  32           HG2      PRO  32  -5.161   0.541   0.995
  260    HG3  PRO  32           HG3      PRO  32  -5.504   0.939  -0.687
  261    HD2  PRO  32           HD2      PRO  32  -3.786   2.437   1.283
  262    HD3  PRO  32           HD3      PRO  32  -3.577   2.245  -0.484
  263    H    SER  33           H        SER  33  -5.640   4.517   2.395
  264    HA   SER  33           HA       SER  33  -7.502   6.762   2.579
  265    HB2  SER  33           HB2      SER  33  -8.485   6.026   4.749
  266    HB3  SER  33           HB3      SER  33  -8.934   4.990   3.393
  267    HG   SER  33           HG       SER  33  -8.412   3.649   4.982
  268    H    GLY  34           H        GLY  34  -4.610   6.477   2.454
  269    HA2  GLY  34           HA2      GLY  34  -2.843   7.695   3.516
  270    HA3  GLY  34           HA3      GLY  34  -3.719   7.664   5.043
  271    H1   NAG 101           H1       NAG  35  11.140   2.255  -4.458
  272    H2   NAG 101           H2       NAG  35  11.976   3.276  -7.228
  273    H3   NAG 101           H3       NAG  35   9.184   2.504  -6.232
  274    H4   NAG 101           H4       NAG  35  11.001   1.142  -8.294
  275    H5   NAG 101           H5       NAG  35  10.070   0.289  -5.531
  276    H61  NAG 101           H61      NAG  35  10.266  -1.808  -6.644
  277    H62  NAG 101           H62      NAG  35  11.598  -1.224  -7.669
  278    H81  NAG 101           H2M      NAG  35   9.682   6.911  -5.355
  279    H82  NAG 101           H3M      NAG  35  10.490   7.743  -6.702
  280    H83  NAG 101           H1M      NAG  35  11.449   7.129  -5.338
  281    HN2  NAG 101           H2N      NAG  35  10.918   4.656  -4.909
  282    HO3  NAG 101           H3O      NAG  35   9.872   4.162  -8.166
  283    HO4  NAG 101           H4O      NAG  35   8.658   1.264  -8.492
  284    HO6  NAG 101           H6O      NAG  35  12.581  -0.758  -5.510
  Start of MODEL    7
    1    H1   LYS   1           H1       LYS   1 -10.710   5.455   1.666
    2    H2   LYS   1           H2       LYS   1  -9.823   4.077   1.743
    3    H3   LYS   1           H3       LYS   1 -11.465   3.986   1.629
    4    HA   LYS   1           HA       LYS   1 -11.423   4.991  -0.552
    5    HB2  LYS   1           HB2      LYS   1  -8.426   4.921  -0.110
    6    HB3  LYS   1           HB3      LYS   1  -9.157   4.990  -1.721
    7    HG2  LYS   1           HG2      LYS   1 -10.228   7.091  -1.246
    8    HG3  LYS   1           HG3      LYS   1  -9.712   7.041   0.454
    9    HD2  LYS   1           HD2      LYS   1  -7.374   7.188  -0.169
   10    HD3  LYS   1           HD3      LYS   1  -7.754   7.043  -1.893
   11    HE2  LYS   1           HE2      LYS   1  -8.829   9.181  -1.956
   12    HE3  LYS   1           HE3      LYS   1  -8.839   9.308  -0.181
   13    HZ1  LYS   1           HZ1      LYS   1  -6.330   9.141  -1.753
   14    HZ2  LYS   1           HZ2      LYS   1  -7.002  10.582  -1.257
   15    HZ3  LYS   1           HZ3      LYS   1  -6.504   9.452  -0.152
   16    H    LEU   2           H        LEU   2  -8.658   2.799  -0.946
   17    HA   LEU   2           HA       LEU   2 -10.446   0.921  -2.143
   18    HB2  LEU   2           HB2      LEU   2  -7.606   0.173  -1.835
   19    HB3  LEU   2           HB3      LEU   2  -8.716  -0.238  -3.011
   20    HG   LEU   2           HG       LEU   2  -8.879   1.903  -4.067
   21   HD11  LEU   2          HD11      LEU   2  -6.124   2.608  -3.081
   22   HD12  LEU   2          HD12      LEU   2  -7.281   3.572  -3.993
   23   HD13  LEU   2          HD13      LEU   2  -7.541   3.281  -2.269
   24   HD21  LEU   2          HD21      LEU   2  -6.799   1.491  -5.371
   25   HD22  LEU   2          HD22      LEU   2  -6.207   0.436  -4.069
   26   HD23  LEU   2          HD23      LEU   2  -7.658  -0.005  -5.001
   27    HA   PRO   3           HA       PRO   3 -11.657  -1.983   0.670
   28    HB2  PRO   3           HB2      PRO   3 -10.020  -4.095  -0.759
   29    HB3  PRO   3           HB3      PRO   3 -11.761  -4.188  -0.299
   30    HG2  PRO   3           HG2      PRO   3 -11.108  -3.647  -2.828
   31    HG3  PRO   3           HG3      PRO   3 -12.300  -2.550  -2.027
   32    HD2  PRO   3           HD2      PRO   3  -9.272  -2.178  -2.231
   33    HD3  PRO   3           HD3      PRO   3 -10.545  -1.040  -2.722
   34    HA   PRO   4           HA       PRO   4  -9.087  -3.710   3.988
   35    HB2  PRO   4           HB2      PRO   4 -11.057  -6.002   3.800
   36    HB3  PRO   4           HB3      PRO   4 -10.463  -5.150   5.262
   37    HG2  PRO   4           HG2      PRO   4 -12.920  -4.595   4.265
   38    HG3  PRO   4           HG3      PRO   4 -11.853  -3.259   4.811
   39    HD2  PRO   4           HD2      PRO   4 -12.356  -4.233   1.992
   40    HD3  PRO   4           HD3      PRO   4 -12.269  -2.557   2.620
   41    H    GLY   5           H        GLY   5  -7.337  -5.173   3.952
   42    HA2  GLY   5           HA2      GLY   5  -6.257  -7.223   2.969
   43    HA3  GLY   5           HA3      GLY   5  -7.064  -6.820   1.467
   44    H    TRP   6           H        TRP   6  -6.671  -3.807   1.373
   45    HA   TRP   6           HA       TRP   6  -3.868  -3.758   0.709
   46    HB2  TRP   6           HB2      TRP   6  -5.910  -1.614   1.202
   47    HB3  TRP   6           HB3      TRP   6  -4.295  -1.340   0.589
   48    HD1  TRP   6           HD1      TRP   6  -7.652  -1.934  -0.664
   49    HE1  TRP   6           HE1      TRP   6  -7.599  -2.038  -3.199
   50    HE3  TRP   6           HE3      TRP   6  -2.672  -2.123  -1.275
   51    HZ2  TRP   6           HZ2      TRP   6  -5.610  -2.322  -5.296
   52    HZ3  TRP   6           HZ3      TRP   6  -1.706  -2.030  -3.491
   53    HH2  TRP   6           HH2      TRP   6  -3.127  -2.201  -5.557
   54    H    GLU   7           H        GLU   7  -2.154  -3.169   1.768
   55    HA   GLU   7           HA       GLU   7  -2.286  -1.967   4.495
   56    HB2  GLU   7           HB2      GLU   7  -2.348  -4.558   4.331
   57    HB3  GLU   7           HB3      GLU   7  -0.680  -4.441   3.767
   58    HG2  GLU   7           HG2      GLU   7  -0.083  -3.321   5.924
   59    HG3  GLU   7           HG3      GLU   7  -1.776  -3.425   6.432
   60    H    LYS   8           H        LYS   8  -0.373  -0.738   5.056
   61    HA   LYS   8           HA       LYS   8   1.030   0.352   2.834
   62    HB2  LYS   8           HB2      LYS   8   0.491   1.513   4.969
   63    HB3  LYS   8           HB3      LYS   8   1.803   0.629   5.762
   64    HG2  LYS   8           HG2      LYS   8   3.429   1.691   4.175
   65    HG3  LYS   8           HG3      LYS   8   2.093   2.438   3.308
   66    HD2  LYS   8           HD2      LYS   8   3.067   4.124   4.714
   67    HD3  LYS   8           HD3      LYS   8   1.467   3.729   5.328
   68    HE2  LYS   8           HE2      LYS   8   2.926   3.959   7.214
   69    HE3  LYS   8           HE3      LYS   8   2.522   2.247   7.060
   70    HZ1  LYS   8           HZ1      LYS   8   5.034   3.528   6.142
   71    HZ2  LYS   8           HZ2      LYS   8   4.878   2.554   7.457
   72    HZ3  LYS   8           HZ3      LYS   8   4.671   1.937   5.946
   73    H    ARG   9           H        ARG   9   3.082   0.183   2.100
   74    HA   ARG   9           HA       ARG   9   4.781  -2.097   3.019
   75    HB2  ARG   9           HB2      ARG   9   2.842  -2.449   1.099
   76    HB3  ARG   9           HB3      ARG   9   4.112  -1.805   0.096
   77    HG2  ARG   9           HG2      ARG   9   4.408  -4.064  -0.113
   78    HG3  ARG   9           HG3      ARG   9   5.588  -3.715   1.116
   79    HD2  ARG   9           HD2      ARG   9   3.059  -5.308   1.271
   80    HD3  ARG   9           HD3      ARG   9   4.621  -5.630   1.991
   81    HE   ARG   9           HE       ARG   9   3.520  -3.397   3.366
   82   HH11  ARG   9          HH11      ARG   9   2.238  -6.748   3.068
   83   HH12  ARG   9          HH12      ARG   9   1.390  -6.412   4.607
   84   HH21  ARG   9          HH21      ARG   9   2.469  -3.367   5.189
   85   HH22  ARG   9          HH22      ARG   9   1.575  -4.843   5.682
   86    H    MET  10           H        MET  10   6.955  -2.092   2.112
   87    HA   MET  10           HA       MET  10   7.872   0.597   1.250
   88    HB2  MET  10           HB2      MET  10   7.972   0.348   3.771
   89    HB3  MET  10           HB3      MET  10   9.143  -0.951   3.524
   90    HG2  MET  10           HG2      MET  10  10.458   0.824   2.098
   91    HG3  MET  10           HG3      MET  10   9.383   1.993   2.830
   92    HE1  MET  10           HE1      MET  10  11.370  -1.230   4.206
   93    HE2  MET  10           HE2      MET  10  12.450  -0.271   3.160
   94    HE3  MET  10           HE3      MET  10  12.755  -0.369   4.910
   95    H    PHE  11           H        PHE  11   9.383   0.603  -0.260
   96    HA   PHE  11           HA       PHE  11  10.390  -1.855  -1.430
   97    HB2  PHE  11           HB2      PHE  11  10.741   1.092  -2.016
   98    HB3  PHE  11           HB3      PHE  11  11.453  -0.192  -2.988
   99    HD1  PHE  11           HD1      PHE  11   9.792  -2.064  -3.843
  100    HD2  PHE  11           HD2      PHE  11   8.559   1.886  -2.588
  101    HE1  PHE  11           HE1      PHE  11   7.782  -2.219  -5.287
  102    HE2  PHE  11           HE2      PHE  11   6.672   1.791  -4.177
  103    HZ   PHE  11           HZ       PHE  11   6.257  -0.278  -5.491
  104    H    ARG  12           H        ARG  12  11.827  -2.855  -0.127
  105    HA   ARG  12           HA       ARG  12  14.116  -1.650   1.158
  106    HB2  ARG  12           HB2      ARG  12  13.520  -4.470   0.158
  107    HB3  ARG  12           HB3      ARG  12  15.060  -4.033   0.886
  108    HG2  ARG  12           HG2      ARG  12  13.652  -5.071   2.540
  109    HG3  ARG  12           HG3      ARG  12  13.970  -3.391   2.984
  110    HD2  ARG  12           HD2      ARG  12  11.731  -2.724   2.313
  111    HD3  ARG  12           HD3      ARG  12  11.418  -4.329   1.613
  112    HE   ARG  12           HE       ARG  12  12.099  -4.585   4.375
  113   HH11  ARG  12          HH11      ARG  12   9.394  -3.439   2.410
  114   HH12  ARG  12          HH12      ARG  12   8.220  -4.054   3.562
  115   HH21  ARG  12          HH22      ARG  12  10.538  -5.190   5.846
  116   HH22  ARG  12          HH21      ARG  12   8.861  -4.911   5.505
  117    H    SER  13           H        SER  13  16.133  -1.313   0.418
  118    HA   SER  13           HA       SER  13  17.917  -0.994  -0.903
  119    HB2  SER  13           HB2      SER  13  18.175  -1.563  -3.185
  120    HB3  SER  13           HB3      SER  13  17.373  -2.913  -2.367
  121    HG   SER  13           HG       SER  13  15.383  -2.066  -3.129
  122    H    ASN  14           H        ASN  14  14.847   0.614  -1.392
  123    HA   ASN  14           HA       ASN  14  16.534   3.012  -1.841
  124    HB2  ASN  14           HB2      ASN  14  15.234   3.936  -3.570
  125    HB3  ASN  14           HB3      ASN  14  15.669   2.304  -4.055
  126   HD21  ASN  14          HD21      ASN  14  13.950   2.654  -5.636
  127    H    GLY  15           H        GLY  15  13.695   1.681  -0.253
  128    HA2  GLY  15           HA2      GLY  15  12.942   2.460   1.809
  129    HA3  GLY  15           HA3      GLY  15  13.801   3.988   1.584
  130    H    THR  16           H        THR  16  12.006   3.214  -1.224
  131    HA   THR  16           HA       THR  16  10.015   5.300  -0.767
  132    HB   THR  16           HB       THR  16  10.288   3.153  -2.897
  133    HG1  THR  16           HG1      THR  16  11.843   4.895  -2.552
  134   HG21  THR  16          HG21      THR  16   7.935   3.898  -2.958
  135   HG22  THR  16          HG22      THR  16   8.465   5.598  -2.915
  136   HG23  THR  16          HG23      THR  16   8.826   4.567  -4.315
  137    H    VAL  17           H        VAL  17   7.637   4.760  -1.003
  138    HA   VAL  17           HA       VAL  17   6.831   2.454   0.643
  139    HB   VAL  17           HB       VAL  17   6.459   5.363   1.379
  140   HG11  VAL  17          HG11      VAL  17   4.706   3.084   2.387
  141   HG12  VAL  17          HG12      VAL  17   4.800   4.718   3.087
  142   HG13  VAL  17          HG13      VAL  17   4.165   4.506   1.461
  143   HG21  VAL  17          HG21      VAL  17   7.115   4.522   3.608
  144   HG22  VAL  17          HG22      VAL  17   7.118   2.853   2.988
  145   HG23  VAL  17          HG23      VAL  17   8.316   4.039   2.406
  146    H    TYR  18           H        TYR  18   4.742   1.859   0.370
  147    HA   TYR  18           HA       TYR  18   2.928   3.093  -1.528
  148    HB2  TYR  18           HB2      TYR  18   3.016   1.409  -3.201
  149    HB3  TYR  18           HB3      TYR  18   4.614   2.065  -3.027
  150    HD1  TYR  18           HD1      TYR  18   6.193   0.615  -1.277
  151    HD2  TYR  18           HD2      TYR  18   2.862  -0.821  -3.599
  152    HE1  TYR  18           HE1      TYR  18   7.151  -1.671  -1.226
  153    HE2  TYR  18           HE2      TYR  18   3.826  -3.126  -3.539
  154    HH   TYR  18           HH       TYR  18   5.677  -4.394  -2.950
  155    H    TYR  19           H        TYR  19   1.334   0.770  -2.038
  156    HA   TYR  19           HA       TYR  19   0.797  -0.408   0.604
  157    HB2  TYR  19           HB2      TYR  19  -1.022   1.328  -1.043
  158    HB3  TYR  19           HB3      TYR  19  -1.705  -0.138  -0.379
  159    HD1  TYR  19           HD1      TYR  19   0.303   2.864   0.723
  160    HD2  TYR  19           HD2      TYR  19  -2.587  -0.163   1.776
  161    HE1  TYR  19           HE1      TYR  19  -0.065   3.963   2.916
  162    HE2  TYR  19           HE2      TYR  19  -3.043   1.011   3.913
  163    HH   TYR  19           HH       TYR  19  -2.797   3.136   4.963
  164    H    PHE  20           H        PHE  20  -0.104  -2.412   0.494
  165    HA   PHE  20           HA       PHE  20  -0.057  -3.811  -2.145
  166    HB2  PHE  20           HB2      PHE  20   2.074  -3.916  -0.894
  167    HB3  PHE  20           HB3      PHE  20   1.219  -4.592   0.495
  168    HD1  PHE  20           HD1      PHE  20   2.527  -5.224  -2.874
  169    HD2  PHE  20           HD2      PHE  20   0.407  -6.938   0.454
  170    HE1  PHE  20           HE1      PHE  20   2.733  -7.486  -3.910
  171    HE2  PHE  20           HE2      PHE  20   0.696  -9.209  -0.543
  172    HZ   PHE  20           HZ       PHE  20   1.811  -9.473  -2.729
  173    H    ASN  21           H        ASN  21  -1.752  -5.146  -2.428
  174    HA   ASN  21           HA       ASN  21  -3.627  -5.533  -0.174
  175    HB2  ASN  21           HB2      ASN  21  -4.401  -4.775  -2.481
  176    HB3  ASN  21           HB3      ASN  21  -4.024  -6.390  -3.033
  177   HD21  ASN  21          HD22      ASN  21  -6.561  -4.484  -1.777
  178   HD22  ASN  21          HD21      ASN  21  -7.472  -5.822  -1.092
  179    H    HIS  22           H        HIS  22  -2.751  -7.091   1.193
  180    HA   HIS  22           HA       HIS  22  -1.406  -9.414  -0.011
  181    HB2  HIS  22           HB2      HIS  22  -1.114 -10.194   2.288
  182    HB3  HIS  22           HB3      HIS  22  -0.523  -8.568   2.026
  183    HD2  HIS  22           HD2      HIS  22  -1.215  -6.798   3.712
  184    HE1  HIS  22           HE1      HIS  22  -4.223  -8.977   5.787
  185    HE2  HIS  22           HE2      HIS  22  -2.641  -6.926   5.874
  186    H    ILE  23           H        ILE  23  -4.646  -8.737   0.225
  187    HA   ILE  23           HA       ILE  23  -5.465 -11.571   0.494
  188    HB   ILE  23           HB       ILE  23  -6.879  -8.902   0.441
  189   HG12  ILE  23          HG12      ILE  23  -6.763 -11.253   2.377
  190   HG13  ILE  23          HG13      ILE  23  -5.970  -9.690   2.562
  191   HG21  ILE  23          HG21      ILE  23  -9.038  -9.965   0.456
  192   HG22  ILE  23          HG22      ILE  23  -8.206 -10.296  -1.056
  193   HG23  ILE  23          HG23      ILE  23  -8.288 -11.568   0.193
  194   HD11  ILE  23          HD11      ILE  23  -8.297  -8.633   2.630
  195   HD12  ILE  23          HD12      ILE  23  -8.941 -10.285   2.749
  196   HD13  ILE  23          HD13      ILE  23  -7.856  -9.669   4.003
  197    H    THR  24           H        THR  24  -5.161  -9.039  -2.033
  198    HA   THR  24           HA       THR  24  -5.890 -11.109  -4.077
  199    HB   THR  24           HB       THR  24  -6.216  -9.343  -5.627
  200    HG1  THR  24           HG1      THR  24  -5.982  -7.181  -4.943
  201   HG21  THR  24          HG21      THR  24  -8.087  -9.770  -4.021
  202   HG22  THR  24          HG22      THR  24  -7.490  -8.435  -3.014
  203   HG23  THR  24          HG23      THR  24  -8.069  -8.118  -4.662
  204    H    ASN  25           H        ASN  25  -3.168  -9.365  -2.974
  205    HA   ASN  25           HA       ASN  25  -0.970  -9.510  -3.334
  206    HB2  ASN  25           HB2      ASN  25  -1.391 -10.925  -5.994
  207    HB3  ASN  25           HB3      ASN  25   0.122 -10.696  -5.139
  208   HD21  ASN  25          HD22      ASN  25  -2.918 -12.455  -5.132
  209   HD22  ASN  25          HD21      ASN  25  -2.346 -13.722  -4.023
  210    H    ALA  26           H        ALA  26  -3.145  -7.597  -4.797
  211    HA   ALA  26           HA       ALA  26  -1.599  -6.350  -6.870
  212    HB1  ALA  26           HB1      ALA  26  -3.837  -5.207  -5.145
  213    HB2  ALA  26           HB2      ALA  26  -3.300  -4.587  -6.717
  214    HB3  ALA  26           HB3      ALA  26  -4.066  -6.182  -6.619
  215    H    SER  27           H        SER  27  -0.785  -4.081  -6.870
  216    HA   SER  27           HA       SER  27   0.071  -2.953  -4.263
  217    HB2  SER  27           HB2      SER  27   2.205  -2.243  -5.339
  218    HB3  SER  27           HB3      SER  27   2.080  -3.951  -4.948
  219    HG   SER  27           HG       SER  27   1.446  -2.855  -7.506
  220    H    GLN  28           H        GLN  28  -0.038  -0.744  -4.169
  221    HA   GLN  28           HA       GLN  28  -0.370   0.931  -6.567
  222    HB2  GLN  28           HB2      GLN  28  -2.662   0.242  -6.100
  223    HB3  GLN  28           HB3      GLN  28  -2.467   0.557  -4.378
  224    HG2  GLN  28           HG2      GLN  28  -3.851   2.243  -5.570
  225    HG3  GLN  28           HG3      GLN  28  -2.486   2.914  -4.696
  226   HE21  GLN  28          HE22      GLN  28  -3.498   1.950  -8.073
  227   HE22  GLN  28          HE21      GLN  28  -2.453   3.173  -8.776
  228    H    PHE  29           H        PHE  29   0.198   3.200  -6.001
  229    HA   PHE  29           HA       PHE  29   1.857   3.291  -3.524
  230    HB2  PHE  29           HB2      PHE  29   1.805   5.011  -5.997
  231    HB3  PHE  29           HB3      PHE  29   2.681   5.423  -4.533
  232    HD1  PHE  29           HD2      PHE  29   2.717   1.773  -5.584
  233    HD2  PHE  29           HD1      PHE  29   4.763   5.604  -5.737
  234    HE1  PHE  29           HE2      PHE  29   4.625   0.724  -6.626
  235    HE2  PHE  29           HE1      PHE  29   6.736   4.471  -6.702
  236    HZ   PHE  29           HZ       PHE  29   6.669   2.033  -7.175
  237    H    GLU  30           H        GLU  30  -1.103   4.677  -4.944
  238    HA   GLU  30           HA       GLU  30  -1.453   6.588  -2.779
  239    HB2  GLU  30           HB2      GLU  30  -2.789   6.000  -5.183
  240    HB3  GLU  30           HB3      GLU  30  -3.966   5.603  -3.947
  241    HG2  GLU  30           HG2      GLU  30  -2.456   8.253  -4.151
  242    HG3  GLU  30           HG3      GLU  30  -4.055   7.961  -4.829
  243    H    ARG  31           H        ARG  31  -2.860   6.406  -1.095
  244    HA   ARG  31           HA       ARG  31  -2.617   3.781   0.282
  245    HB2  ARG  31           HB2      ARG  31  -3.215   6.402   1.651
  246    HB3  ARG  31           HB3      ARG  31  -2.648   4.915   2.336
  247    HG2  ARG  31           HG2      ARG  31  -0.637   5.980   2.283
  248    HG3  ARG  31           HG3      ARG  31  -0.571   5.282   0.678
  249    HD2  ARG  31           HD2      ARG  31   0.193   7.520   0.557
  250    HD3  ARG  31           HD3      ARG  31  -1.372   7.506  -0.242
  251    HE   ARG  31           HE       ARG  31  -0.686   8.693   2.397
  252   HH11  ARG  31          HH21      ARG  31  -3.284   8.474  -0.079
  253   HH12  ARG  31          HH22      ARG  31  -4.453   9.055   1.107
  254   HH21  ARG  31          HH11      ARG  31  -2.263   9.586   3.695
  255   HH22  ARG  31          HH12      ARG  31  -3.913   9.575   3.117
  256    HA   PRO  32           HA       PRO  32  -7.154   3.174  -0.042
  257    HB2  PRO  32           HB2      PRO  32  -6.054   0.912   1.641
  258    HB3  PRO  32           HB3      PRO  32  -7.536   0.937   0.627
  259    HG2  PRO  32           HG2      PRO  32  -5.552   0.078  -0.693
  260    HG3  PRO  32           HG3      PRO  32  -6.208   1.477  -1.341
  261    HD2  PRO  32           HD2      PRO  32  -3.826   1.553   0.494
  262    HD3  PRO  32           HD3      PRO  32  -4.004   2.243  -1.147
  263    H    SER  33           H        SER  33  -5.162   3.303   2.861
  264    HA   SER  33           HA       SER  33  -7.061   3.651   4.886
  265    HB2  SER  33           HB2      SER  33  -4.359   5.031   4.648
  266    HB3  SER  33           HB3      SER  33  -5.259   4.716   6.143
  267    HG   SER  33           HG       SER  33  -5.015   2.493   5.745
  268    H    GLY  34           H        GLY  34  -6.249   6.042   2.367
  269    HA2  GLY  34           HA2      GLY  34  -8.058   7.808   2.201
  270    HA3  GLY  34           HA3      GLY  34  -7.748   8.145   3.908
  271    H1   NAG 101           H1       NAG  35  11.216   2.186  -4.544
  272    H2   NAG 101           H2       NAG  35  12.103   3.262  -7.276
  273    H3   NAG 101           H3       NAG  35   9.273   2.650  -6.287
  274    H4   NAG 101           H4       NAG  35  10.972   1.251  -8.421
  275    H5   NAG 101           H5       NAG  35  10.012   0.315  -5.691
  276    H61  NAG 101           H61      NAG  35  10.069  -1.652  -7.121
  277    H62  NAG 101           H62      NAG  35  11.598  -1.129  -7.857
  278    H81  NAG 101           H2M      NAG  35  11.874   7.064  -5.231
  279    H82  NAG 101           H3M      NAG  35  10.096   6.979  -5.238
  280    H83  NAG 101           H1M      NAG  35  10.952   7.797  -6.562
  281    HN2  NAG 101           H2N      NAG  35  11.181   4.618  -4.888
  282    HO3  NAG 101           H3O      NAG  35  10.059   4.333  -8.158
  283    HO4  NAG 101           H4O      NAG  35   8.643   1.553  -8.579
  284    HO6  NAG 101           H6O      NAG  35  12.371  -1.119  -5.562
  Start of MODEL    8
    1    H1   LYS   1           H1       LYS   1  -9.623   4.340   1.196
    2    H2   LYS   1           H2       LYS   1 -11.165   4.863   1.431
    3    H3   LYS   1           H3       LYS   1  -9.972   5.890   0.884
    4    HA   LYS   1           HA       LYS   1 -11.662   5.034  -0.807
    5    HB2  LYS   1           HB2      LYS   1  -8.680   5.028  -1.147
    6    HB3  LYS   1           HB3      LYS   1  -9.756   4.670  -2.513
    7    HG2  LYS   1           HG2      LYS   1 -10.862   6.826  -2.312
    8    HG3  LYS   1           HG3      LYS   1  -9.895   7.258  -0.920
    9    HD2  LYS   1           HD2      LYS   1  -9.035   6.943  -3.800
   10    HD3  LYS   1           HD3      LYS   1  -8.884   8.365  -2.773
   11    HE2  LYS   1           HE2      LYS   1  -7.303   5.766  -2.485
   12    HE3  LYS   1           HE3      LYS   1  -6.709   7.233  -3.253
   13    HZ1  LYS   1           HZ1      LYS   1  -6.263   8.161  -1.340
   14    HZ2  LYS   1           HZ2      LYS   1  -7.614   7.567  -0.477
   15    HZ3  LYS   1           HZ3      LYS   1  -6.291   6.665  -0.706
   16    H    LEU   2           H        LEU   2  -8.843   2.783  -0.941
   17    HA   LEU   2           HA       LEU   2 -10.613   0.857  -2.068
   18    HB2  LEU   2           HB2      LEU   2  -7.747   0.188  -1.782
   19    HB3  LEU   2           HB3      LEU   2  -8.858  -0.282  -2.933
   20    HG   LEU   2           HG       LEU   2  -9.104   1.836  -4.032
   21   HD11  LEU   2          HD11      LEU   2  -7.751   3.252  -2.275
   22   HD12  LEU   2          HD12      LEU   2  -6.352   2.582  -3.087
   23   HD13  LEU   2          HD13      LEU   2  -7.527   3.529  -4.012
   24   HD21  LEU   2          HD21      LEU   2  -7.857  -0.071  -4.947
   25   HD22  LEU   2          HD22      LEU   2  -7.036   1.431  -5.366
   26   HD23  LEU   2          HD23      LEU   2  -6.400   0.420  -4.049
   27    HA   PRO   3           HA       PRO   3 -11.711  -2.024   0.793
   28    HB2  PRO   3           HB2      PRO   3 -10.098  -4.134  -0.669
   29    HB3  PRO   3           HB3      PRO   3 -11.825  -4.229  -0.176
   30    HG2  PRO   3           HG2      PRO   3 -11.235  -3.696  -2.716
   31    HG3  PRO   3           HG3      PRO   3 -12.409  -2.595  -1.892
   32    HD2  PRO   3           HD2      PRO   3  -9.385  -2.241  -2.153
   33    HD3  PRO   3           HD3      PRO   3 -10.655  -1.098  -2.636
   34    HA   PRO   4           HA       PRO   4  -9.074  -3.745   4.056
   35    HB2  PRO   4           HB2      PRO   4 -11.006  -6.071   3.863
   36    HB3  PRO   4           HB3      PRO   4 -10.404  -5.231   5.329
   37    HG2  PRO   4           HG2      PRO   4 -12.883  -4.697   4.377
   38    HG3  PRO   4           HG3      PRO   4 -11.826  -3.353   4.922
   39    HD2  PRO   4           HD2      PRO   4 -12.360  -4.300   2.101
   40    HD3  PRO   4           HD3      PRO   4 -12.287  -2.630   2.747
   41    H    GLY   5           H        GLY   5  -7.294  -5.171   3.979
   42    HA2  GLY   5           HA2      GLY   5  -6.193  -7.200   2.953
   43    HA3  GLY   5           HA3      GLY   5  -7.021  -6.781   1.470
   44    H    TRP   6           H        TRP   6  -6.678  -3.761   1.430
   45    HA   TRP   6           HA       TRP   6  -3.872  -3.658   0.738
   46    HB2  TRP   6           HB2      TRP   6  -5.962  -1.559   1.224
   47    HB3  TRP   6           HB3      TRP   6  -4.355  -1.258   0.603
   48    HD1  TRP   6           HD1      TRP   6  -7.712  -1.959  -0.613
   49    HE1  TRP   6           HE1      TRP   6  -7.691  -2.040  -3.129
   50    HE3  TRP   6           HE3      TRP   6  -2.726  -2.016  -1.272
   51    HZ2  TRP   6           HZ2      TRP   6  -5.700  -2.247  -5.265
   52    HZ3  TRP   6           HZ3      TRP   6  -1.775  -1.917  -3.501
   53    HH2  TRP   6           HH2      TRP   6  -3.223  -2.082  -5.551
   54    H    GLU   7           H        GLU   7  -2.165  -2.980   1.801
   55    HA   GLU   7           HA       GLU   7  -2.346  -1.800   4.535
   56    HB2  GLU   7           HB2      GLU   7  -2.286  -4.317   4.538
   57    HB3  GLU   7           HB3      GLU   7  -0.760  -4.244   3.651
   58    HG2  GLU   7           HG2      GLU   7   0.289  -3.083   5.589
   59    HG3  GLU   7           HG3      GLU   7  -1.258  -3.152   6.456
   60    H    LYS   8           H        LYS   8  -0.394  -0.571   5.113
   61    HA   LYS   8           HA       LYS   8   0.995   0.578   2.880
   62    HB2  LYS   8           HB2      LYS   8   0.524   1.691   5.083
   63    HB3  LYS   8           HB3      LYS   8   1.815   0.722   5.805
   64    HG2  LYS   8           HG2      LYS   8   3.461   1.786   4.254
   65    HG3  LYS   8           HG3      LYS   8   2.152   2.602   3.410
   66    HD2  LYS   8           HD2      LYS   8   3.253   4.173   4.872
   67    HD3  LYS   8           HD3      LYS   8   1.600   3.895   5.441
   68    HE2  LYS   8           HE2      LYS   8   2.454   2.316   7.159
   69    HE3  LYS   8           HE3      LYS   8   4.106   2.558   6.568
   70    HZ1  LYS   8           HZ1      LYS   8   3.917   4.889   7.185
   71    HZ2  LYS   8           HZ2      LYS   8   2.380   4.669   7.723
   72    HZ3  LYS   8           HZ3      LYS   8   3.632   3.939   8.497
   73    H    ARG   9           H        ARG   9   3.107   0.413   2.206
   74    HA   ARG   9           HA       ARG   9   4.717  -1.903   3.153
   75    HB2  ARG   9           HB2      ARG   9   2.880  -2.484   1.374
   76    HB3  ARG   9           HB3      ARG   9   3.854  -1.561   0.245
   77    HG2  ARG   9           HG2      ARG   9   4.328  -3.891  -0.042
   78    HG3  ARG   9           HG3      ARG   9   5.746  -3.149   0.661
   79    HD2  ARG   9           HD2      ARG   9   5.517  -5.173   1.819
   80    HD3  ARG   9           HD3      ARG   9   4.938  -3.980   2.961
   81    HE   ARG   9           HE       ARG   9   3.292  -5.929   1.402
   82   HH11  ARG   9          HH12      ARG   9   2.916  -3.510   4.103
   83   HH12  ARG   9          HH11      ARG   9   1.954  -4.738   4.910
   84   HH21  ARG   9          HH21      ARG   9   1.862  -7.171   2.744
   85   HH22  ARG   9          HH22      ARG   9   1.326  -6.344   4.225
   86    H    MET  10           H        MET  10   6.930  -1.907   2.375
   87    HA   MET  10           HA       MET  10   7.844   0.710   1.307
   88    HB2  MET  10           HB2      MET  10   8.038   0.533   3.829
   89    HB3  MET  10           HB3      MET  10   9.194  -0.786   3.571
   90    HG2  MET  10           HG2      MET  10  10.494   0.861   2.079
   91    HG3  MET  10           HG3      MET  10   9.437   2.117   2.681
   92    HE1  MET  10           HE1      MET  10   9.638   3.307   4.898
   93    HE2  MET  10           HE2      MET  10   9.015   1.826   5.670
   94    HE3  MET  10           HE3      MET  10  10.451   2.640   6.332
   95    H    PHE  11           H        PHE  11   9.377   0.634  -0.223
   96    HA   PHE  11           HA       PHE  11  10.052  -1.901  -1.453
   97    HB2  PHE  11           HB2      PHE  11  10.636   0.997  -2.044
   98    HB3  PHE  11           HB3      PHE  11  11.265  -0.321  -3.021
   99    HD1  PHE  11           HD2      PHE  11   9.558  -2.117  -3.857
  100    HD2  PHE  11           HD1      PHE  11   8.411   1.861  -2.588
  101    HE1  PHE  11           HE2      PHE  11   7.583  -2.191  -5.356
  102    HE2  PHE  11           HE1      PHE  11   6.595   1.850  -4.249
  103    HZ   PHE  11           HZ       PHE  11   6.143  -0.194  -5.589
  104    H    ARG  12           H        ARG  12  11.519  -3.147  -0.561
  105    HA   ARG  12           HA       ARG  12  13.883  -2.430   0.835
  106    HB2  ARG  12           HB2      ARG  12  13.330  -4.847  -0.957
  107    HB3  ARG  12           HB3      ARG  12  14.617  -4.700   0.229
  108    HG2  ARG  12           HG2      ARG  12  13.267  -5.732   1.652
  109    HG3  ARG  12           HG3      ARG  12  12.409  -4.213   1.834
  110    HD2  ARG  12           HD2      ARG  12  11.696  -6.325  -0.255
  111    HD3  ARG  12           HD3      ARG  12  11.058  -6.358   1.388
  112    HE   ARG  12           HE       ARG  12  10.162  -3.979   0.844
  113   HH11  ARG  12          HH11      ARG  12  10.076  -6.684  -1.428
  114   HH12  ARG  12          HH12      ARG  12   8.628  -6.072  -2.186
  115   HH21  ARG  12          HH21      ARG  12   8.472  -3.304  -0.110
  116   HH22  ARG  12          HH22      ARG  12   7.661  -4.113  -1.450
  117    H    SER  13           H        SER  13  16.000  -2.211   0.117
  118    HA   SER  13           HA       SER  13  17.730  -1.558  -1.099
  119    HB2  SER  13           HB2      SER  13  18.063  -2.057  -3.383
  120    HB3  SER  13           HB3      SER  13  17.187  -3.412  -2.654
  121    HG   SER  13           HG       SER  13  15.231  -2.276  -3.441
  122    H    ASN  14           H        ASN  14  14.749   0.203  -1.431
  123    HA   ASN  14           HA       ASN  14  16.562   2.501  -1.846
  124    HB2  ASN  14           HB2      ASN  14  15.382   3.568  -3.562
  125    HB3  ASN  14           HB3      ASN  14  15.685   1.922  -4.092
  126   HD21  ASN  14          HD21      ASN  14  14.029   2.153  -5.678
  127    H    GLY  15           H        GLY  15  13.541   1.384  -0.381
  128    HA2  GLY  15           HA2      GLY  15  12.910   2.151   1.749
  129    HA3  GLY  15           HA3      GLY  15  13.859   3.625   1.536
  130    H    THR  16           H        THR  16  12.054   3.101  -1.253
  131    HA   THR  16           HA       THR  16  10.151   5.232  -0.861
  132    HB   THR  16           HB       THR  16  10.159   2.925  -2.839
  133    HG1  THR  16           HG1      THR  16  11.944   3.957  -3.032
  134   HG21  THR  16          HG21      THR  16   8.898   4.430  -4.352
  135   HG22  THR  16          HG22      THR  16   7.953   3.942  -2.956
  136   HG23  THR  16          HG23      THR  16   8.676   5.573  -3.006
  137    H    VAL  17           H        VAL  17   7.710   4.812  -1.018
  138    HA   VAL  17           HA       VAL  17   6.851   2.564   0.685
  139    HB   VAL  17           HB       VAL  17   6.518   5.493   1.353
  140   HG11  VAL  17          HG11      VAL  17   4.223   4.639   1.491
  141   HG12  VAL  17          HG12      VAL  17   4.779   3.236   2.438
  142   HG13  VAL  17          HG13      VAL  17   4.884   4.881   3.104
  143   HG21  VAL  17          HG21      VAL  17   8.391   4.198   2.385
  144   HG22  VAL  17          HG22      VAL  17   7.204   4.702   3.594
  145   HG23  VAL  17          HG23      VAL  17   7.203   3.022   3.010
  146    H    TYR  18           H        TYR  18   4.725   2.009   0.422
  147    HA   TYR  18           HA       TYR  18   2.956   3.251  -1.509
  148    HB2  TYR  18           HB2      TYR  18   3.013   1.546  -3.167
  149    HB3  TYR  18           HB3      TYR  18   4.620   2.186  -3.000
  150    HD1  TYR  18           HD1      TYR  18   6.152   0.717  -1.189
  151    HD2  TYR  18           HD2      TYR  18   2.883  -0.662  -3.620
  152    HE1  TYR  18           HE1      TYR  18   7.099  -1.553  -1.147
  153    HE2  TYR  18           HE2      TYR  18   3.839  -2.971  -3.584
  154    HH   TYR  18           HH       TYR  18   5.571  -4.244  -2.944
  155    H    TYR  19           H        TYR  19   1.287   1.007  -2.033
  156    HA   TYR  19           HA       TYR  19   0.747  -0.185   0.598
  157    HB2  TYR  19           HB2      TYR  19  -1.083   1.547  -1.044
  158    HB3  TYR  19           HB3      TYR  19  -1.754   0.094  -0.333
  159    HD1  TYR  19           HD1      TYR  19   0.354   3.068   0.687
  160    HD2  TYR  19           HD2      TYR  19  -2.613   0.148   1.835
  161    HE1  TYR  19           HE1      TYR  19   0.154   4.125   2.921
  162    HE2  TYR  19           HE2      TYR  19  -2.944   1.337   3.993
  163    HH   TYR  19           HH       TYR  19  -2.543   3.741   4.875
  164    H    PHE  20           H        PHE  20  -0.159  -2.173   0.493
  165    HA   PHE  20           HA       PHE  20  -0.022  -3.624  -2.106
  166    HB2  PHE  20           HB2      PHE  20   2.102  -3.631  -0.860
  167    HB3  PHE  20           HB3      PHE  20   1.294  -4.283   0.559
  168    HD1  PHE  20           HD1      PHE  20   2.455  -5.013  -2.878
  169    HD2  PHE  20           HD2      PHE  20   0.612  -6.640   0.654
  170    HE1  PHE  20           HE1      PHE  20   2.785  -7.315  -3.768
  171    HE2  PHE  20           HE2      PHE  20   1.026  -8.952  -0.205
  172    HZ   PHE  20           HZ       PHE  20   2.089  -9.279  -2.416
  173    H    ASN  21           H        ASN  21  -1.679  -4.967  -2.390
  174    HA   ASN  21           HA       ASN  21  -3.586  -5.402  -0.177
  175    HB2  ASN  21           HB2      ASN  21  -4.370  -4.684  -2.481
  176    HB3  ASN  21           HB3      ASN  21  -3.812  -6.224  -3.070
  177   HD21  ASN  21          HD22      ASN  21  -6.408  -4.552  -1.390
  178   HD22  ASN  21          HD21      ASN  21  -7.322  -6.013  -1.060
  179    H    HIS  22           H        HIS  22  -2.589  -6.920   1.215
  180    HA   HIS  22           HA       HIS  22  -1.212  -9.216   0.022
  181    HB2  HIS  22           HB2      HIS  22  -0.893  -9.976   2.337
  182    HB3  HIS  22           HB3      HIS  22  -0.310  -8.360   2.024
  183    HD2  HIS  22           HD2      HIS  22  -0.972  -6.538   3.653
  184    HE1  HIS  22           HE1      HIS  22  -3.785  -8.727   5.968
  185    HE2  HIS  22           HE2      HIS  22  -2.228  -6.657   5.913
  186    H    ILE  23           H        ILE  23  -4.448  -8.692   0.084
  187    HA   ILE  23           HA       ILE  23  -5.184 -11.521   0.593
  188    HB   ILE  23           HB       ILE  23  -6.602  -8.883   0.253
  189   HG12  ILE  23          HG12      ILE  23  -6.586 -11.121   2.329
  190   HG13  ILE  23          HG13      ILE  23  -5.868  -9.522   2.481
  191   HG21  ILE  23          HG21      ILE  23  -7.851 -10.349  -1.234
  192   HG22  ILE  23          HG22      ILE  23  -8.034 -11.542   0.080
  193   HG23  ILE  23          HG23      ILE  23  -8.773  -9.917   0.201
  194   HD11  ILE  23          HD11      ILE  23  -8.813 -10.257   2.525
  195   HD12  ILE  23          HD12      ILE  23  -7.841  -9.505   3.798
  196   HD13  ILE  23          HD13      ILE  23  -8.258  -8.581   2.339
  197    H    THR  24           H        THR  24  -4.588  -9.286  -2.004
  198    HA   THR  24           HA       THR  24  -5.216 -11.405  -4.056
  199    HB   THR  24           HB       THR  24  -5.456  -9.533  -5.656
  200    HG1  THR  24           HG1      THR  24  -5.295  -7.924  -3.344
  201   HG21  THR  24          HG21      THR  24  -7.181  -9.052  -3.185
  202   HG22  THR  24          HG22      THR  24  -7.536  -8.576  -4.853
  203   HG23  THR  24          HG23      THR  24  -7.490 -10.298  -4.416
  204    H    ASN  25           H        ASN  25  -2.710  -9.375  -2.867
  205    HA   ASN  25           HA       ASN  25  -0.502  -9.261  -3.136
  206    HB2  ASN  25           HB2      ASN  25  -0.639 -10.838  -5.731
  207    HB3  ASN  25           HB3      ASN  25   0.805 -10.363  -4.857
  208   HD21  ASN  25          HD22      ASN  25  -1.955 -12.517  -4.833
  209   HD22  ASN  25          HD21      ASN  25  -1.269 -13.622  -3.621
  210    H    ALA  26           H        ALA  26  -2.811  -7.632  -4.705
  211    HA   ALA  26           HA       ALA  26  -1.364  -6.297  -6.788
  212    HB1  ALA  26           HB1      ALA  26  -3.857  -6.340  -6.516
  213    HB2  ALA  26           HB2      ALA  26  -3.687  -5.251  -5.119
  214    HB3  ALA  26           HB3      ALA  26  -3.203  -4.705  -6.731
  215    H    SER  27           H        SER  27  -0.769  -3.939  -6.813
  216    HA   SER  27           HA       SER  27   0.057  -2.760  -4.220
  217    HB2  SER  27           HB2      SER  27   2.181  -2.016  -5.298
  218    HB3  SER  27           HB3      SER  27   2.092  -3.727  -4.903
  219    HG   SER  27           HG       SER  27   1.407  -2.666  -7.460
  220    H    GLN  28           H        GLN  28  -0.070  -0.543  -4.146
  221    HA   GLN  28           HA       GLN  28  -0.282   1.079  -6.587
  222    HB2  GLN  28           HB2      GLN  28  -2.653   0.365  -5.993
  223    HB3  GLN  28           HB3      GLN  28  -2.428   1.121  -4.409
  224    HG2  GLN  28           HG2      GLN  28  -1.961   3.313  -5.666
  225    HG3  GLN  28           HG3      GLN  28  -2.430   2.474  -7.148
  226   HE21  GLN  28          HE22      GLN  28  -3.624   3.367  -3.792
  227   HE22  GLN  28          HE21      GLN  28  -5.281   3.482  -4.411
  228    H    PHE  29           H        PHE  29   0.505   3.280  -6.089
  229    HA   PHE  29           HA       PHE  29   1.912   3.406  -3.513
  230    HB2  PHE  29           HB2      PHE  29   1.908   5.230  -5.908
  231    HB3  PHE  29           HB3      PHE  29   2.789   5.542  -4.424
  232    HD1  PHE  29           HD2      PHE  29   2.779   1.939  -5.596
  233    HD2  PHE  29           HD1      PHE  29   4.850   5.759  -5.676
  234    HE1  PHE  29           HE2      PHE  29   4.646   0.919  -6.738
  235    HE2  PHE  29           HE1      PHE  29   6.795   4.643  -6.710
  236    HZ   PHE  29           HZ       PHE  29   6.694   2.228  -7.278
  237    H    GLU  30           H        GLU  30  -1.048   4.886  -4.842
  238    HA   GLU  30           HA       GLU  30  -1.286   6.702  -2.573
  239    HB2  GLU  30           HB2      GLU  30  -2.617   6.413  -5.046
  240    HB3  GLU  30           HB3      GLU  30  -3.841   6.034  -3.857
  241    HG2  GLU  30           HG2      GLU  30  -2.168   8.578  -3.965
  242    HG3  GLU  30           HG3      GLU  30  -3.844   8.413  -4.495
  243    H    ARG  31           H        ARG  31  -2.748   6.512  -0.936
  244    HA   ARG  31           HA       ARG  31  -2.712   3.792   0.239
  245    HB2  ARG  31           HB2      ARG  31  -3.781   6.129   1.786
  246    HB3  ARG  31           HB3      ARG  31  -2.901   4.759   2.335
  247    HG2  ARG  31           HG2      ARG  31  -0.974   5.894   2.341
  248    HG3  ARG  31           HG3      ARG  31  -1.116   6.371   0.668
  249    HD2  ARG  31           HD2      ARG  31  -2.324   7.734   3.128
  250    HD3  ARG  31           HD3      ARG  31  -0.979   8.324   2.150
  251    HE   ARG  31           HE       ARG  31  -2.593   8.573   0.236
  252   HH11  ARG  31          HH21      ARG  31  -4.417   8.063   3.302
  253   HH12  ARG  31          HH22      ARG  31  -5.785   8.729   2.438
  254   HH21  ARG  31          HH11      ARG  31  -4.521   9.240  -0.513
  255   HH22  ARG  31          HH12      ARG  31  -5.851   9.350   0.675
  256    HA   PRO  32           HA       PRO  32  -7.244   3.251  -0.088
  257    HB2  PRO  32           HB2      PRO  32  -6.272   0.927   1.612
  258    HB3  PRO  32           HB3      PRO  32  -7.708   1.008   0.538
  259    HG2  PRO  32           HG2      PRO  32  -5.695   0.094  -0.683
  260    HG3  PRO  32           HG3      PRO  32  -6.303   1.501  -1.364
  261    HD2  PRO  32           HD2      PRO  32  -3.996   1.489   0.594
  262    HD3  PRO  32           HD3      PRO  32  -4.033   2.210  -1.047
  263    H    SER  33           H        SER  33  -5.262   3.205   2.834
  264    HA   SER  33           HA       SER  33  -7.341   3.852   4.744
  265    HB2  SER  33           HB2      SER  33  -5.508   4.251   6.278
  266    HB3  SER  33           HB3      SER  33  -5.196   2.753   5.376
  267    HG   SER  33           HG       SER  33  -4.278   5.312   4.639
  268    H    GLY  34           H        GLY  34  -8.403   5.438   3.505
  269    HA2  GLY  34           HA2      GLY  34  -9.120   7.722   3.603
  270    HA3  GLY  34           HA3      GLY  34  -7.451   8.245   3.837
  271    H1   NAG 101           H1       NAG  35  11.264   1.938  -4.590
  272    H2   NAG 101           H2       NAG  35  12.175   2.891  -7.361
  273    H3   NAG 101           H3       NAG  35   9.329   2.374  -6.357
  274    H4   NAG 101           H4       NAG  35  10.998   0.843  -8.426
  275    H5   NAG 101           H5       NAG  35  10.016   0.084  -5.654
  276    H61  NAG 101           H61      NAG  35   9.992  -1.953  -7.010
  277    H62  NAG 101           H62      NAG  35  11.581  -1.554  -7.695
  278    H81  NAG 101           H2M      NAG  35  11.989   6.761  -5.438
  279    H82  NAG 101           H3M      NAG  35  10.210   6.706  -5.466
  280    H83  NAG 101           H1M      NAG  35  11.099   7.467  -6.804
  281    HN2  NAG 101           H2N      NAG  35  11.244   4.345  -5.028
  282    HO3  NAG 101           H3O      NAG  35  10.159   3.961  -8.289
  283    HO4  NAG 101           H4O      NAG  35   8.670   1.197  -8.590
  284    HO6  NAG 101           H6O      NAG  35  12.304  -1.509  -5.416
  Start of MODEL    9
    1    H1   LYS   1           H1       LYS   1  -6.821   5.537  -0.479
    2    H2   LYS   1           H2       LYS   1  -7.692   6.807   0.015
    3    H3   LYS   1           H3       LYS   1  -7.649   6.378  -1.597
    4    HA   LYS   1           HA       LYS   1  -8.713   4.715   0.602
    5    HB2  LYS   1           HB2      LYS   1  -9.995   6.864   0.422
    6    HB3  LYS   1           HB3      LYS   1 -10.403   6.447  -1.229
    7    HG2  LYS   1           HG2      LYS   1 -12.215   5.947   0.358
    8    HG3  LYS   1           HG3      LYS   1 -11.670   4.516  -0.497
    9    HD2  LYS   1           HD2      LYS   1 -12.181   3.988   1.781
   10    HD3  LYS   1           HD3      LYS   1 -10.475   3.717   1.520
   11    HE2  LYS   1           HE2      LYS   1 -11.480   6.331   2.738
   12    HE3  LYS   1           HE3      LYS   1 -11.378   4.855   3.703
   13    HZ1  LYS   1           HZ1      LYS   1  -8.985   4.728   2.926
   14    HZ2  LYS   1           HZ2      LYS   1  -9.097   6.302   2.475
   15    HZ3  LYS   1           HZ3      LYS   1  -9.306   5.852   4.041
   16    H    LEU   2           H        LEU   2  -8.722   2.670   0.068
   17    HA   LEU   2           HA       LEU   2 -10.052   1.671  -2.172
   18    HB2  LEU   2           HB2      LEU   2  -7.348   0.396  -2.035
   19    HB3  LEU   2           HB3      LEU   2  -8.564   0.229  -3.158
   20    HG   LEU   2           HG       LEU   2  -8.322   2.429  -4.151
   21   HD11  LEU   2          HD11      LEU   2  -5.472   2.411  -3.119
   22   HD12  LEU   2          HD12      LEU   2  -6.298   3.636  -4.097
   23   HD13  LEU   2          HD13      LEU   2  -6.703   3.457  -2.390
   24   HD21  LEU   2          HD21      LEU   2  -6.422   1.632  -5.533
   25   HD22  LEU   2          HD22      LEU   2  -6.022   0.434  -4.280
   26   HD23  LEU   2          HD23      LEU   2  -7.560   0.332  -5.174
   27    HA   PRO   3           HA       PRO   3 -11.632  -1.228   0.570
   28    HB2  PRO   3           HB2      PRO   3 -10.250  -3.459  -0.946
   29    HB3  PRO   3           HB3      PRO   3 -11.985  -3.390  -0.449
   30    HG2  PRO   3           HG2      PRO   3 -11.336  -2.844  -2.975
   31    HG3  PRO   3           HG3      PRO   3 -12.387  -1.652  -2.115
   32    HD2  PRO   3           HD2      PRO   3  -9.341  -1.592  -2.399
   33    HD3  PRO   3           HD3      PRO   3 -10.510  -0.301  -2.794
   34    HA   PRO   4           HA       PRO   4  -9.287  -3.367   3.810
   35    HB2  PRO   4           HB2      PRO   4 -11.441  -5.470   3.487
   36    HB3  PRO   4           HB3      PRO   4 -10.793  -4.751   4.996
   37    HG2  PRO   4           HG2      PRO   4 -13.180  -3.929   4.014
   38    HG3  PRO   4           HG3      PRO   4 -12.004  -2.722   4.632
   39    HD2  PRO   4           HD2      PRO   4 -12.561  -3.511   1.768
   40    HD3  PRO   4           HD3      PRO   4 -12.338  -1.880   2.473
   41    H    GLY   5           H        GLY   5  -7.666  -4.951   3.732
   42    HA2  GLY   5           HA2      GLY   5  -6.722  -7.048   2.706
   43    HA3  GLY   5           HA3      GLY   5  -7.471  -6.543   1.200
   44    H    TRP   6           H        TRP   6  -6.842  -3.575   1.214
   45    HA   TRP   6           HA       TRP   6  -4.014  -3.696   0.630
   46    HB2  TRP   6           HB2      TRP   6  -5.957  -1.486   1.096
   47    HB3  TRP   6           HB3      TRP   6  -4.319  -1.282   0.489
   48    HD1  TRP   6           HD1      TRP   6  -7.706  -1.746  -0.796
   49    HE1  TRP   6           HE1      TRP   6  -7.635  -1.862  -3.313
   50    HE3  TRP   6           HE3      TRP   6  -2.745  -2.072  -1.359
   51    HZ2  TRP   6           HZ2      TRP   6  -5.652  -2.351  -5.397
   52    HZ3  TRP   6           HZ3      TRP   6  -1.763  -2.039  -3.557
   53    HH2  TRP   6           HH2      TRP   6  -3.166  -2.286  -5.642
   54    H    GLU   7           H        GLU   7  -2.261  -3.140   1.766
   55    HA   GLU   7           HA       GLU   7  -2.469  -1.630   4.295
   56    HB2  GLU   7           HB2      GLU   7  -2.767  -4.090   4.774
   57    HB3  GLU   7           HB3      GLU   7  -1.143  -4.377   4.196
   58    HG2  GLU   7           HG2      GLU   7  -1.897  -2.554   6.526
   59    HG3  GLU   7           HG3      GLU   7  -1.488  -4.258   6.701
   60    H    LYS   8           H        LYS   8  -0.301  -0.829   5.005
   61    HA   LYS   8           HA       LYS   8   1.008   0.437   2.789
   62    HB2  LYS   8           HB2      LYS   8   0.646   1.695   4.697
   63    HB3  LYS   8           HB3      LYS   8   1.168   0.472   5.806
   64    HG2  LYS   8           HG2      LYS   8   3.077   1.934   3.938
   65    HG3  LYS   8           HG3      LYS   8   2.602   2.546   5.515
   66    HD2  LYS   8           HD2      LYS   8   4.347   0.137   4.943
   67    HD3  LYS   8           HD3      LYS   8   4.710   1.606   5.794
   68    HE2  LYS   8           HE2      LYS   8   4.568   0.099   7.503
   69    HE3  LYS   8           HE3      LYS   8   2.984   0.869   7.580
   70    HZ1  LYS   8           HZ1      LYS   8   3.242  -1.748   7.623
   71    HZ2  LYS   8           HZ2      LYS   8   1.965  -1.120   6.838
   72    HZ3  LYS   8           HZ3      LYS   8   3.215  -1.582   5.968
   73    H    ARG   9           H        ARG   9   3.007   0.164   1.884
   74    HA   ARG   9           HA       ARG   9   4.664  -2.144   2.796
   75    HB2  ARG   9           HB2      ARG   9   2.858  -2.541   0.895
   76    HB3  ARG   9           HB3      ARG   9   3.976  -1.673  -0.119
   77    HG2  ARG   9           HG2      ARG   9   4.272  -4.049  -0.393
   78    HG3  ARG   9           HG3      ARG   9   5.720  -3.405   0.340
   79    HD2  ARG   9           HD2      ARG   9   5.049  -5.575   1.338
   80    HD3  ARG   9           HD3      ARG   9   5.082  -4.283   2.539
   81    HE   ARG   9           HE       ARG   9   2.549  -5.138   1.198
   82   HH11  ARG   9          HH11      ARG   9   4.115  -4.870   4.394
   83   HH12  ARG   9          HH12      ARG   9   2.521  -4.429   5.077
   84   HH21  ARG   9          HH21      ARG   9   0.660  -4.420   2.397
   85   HH22  ARG   9          HH22      ARG   9   0.907  -4.405   4.146
   86    H    MET  10           H        MET  10   6.925  -2.054   2.054
   87    HA   MET  10           HA       MET  10   7.786   0.670   1.247
   88    HB2  MET  10           HB2      MET  10   7.705   0.370   3.760
   89    HB3  MET  10           HB3      MET  10   8.955  -0.867   3.580
   90    HG2  MET  10           HG2      MET  10  10.373   0.927   2.421
   91    HG3  MET  10           HG3      MET  10   9.156   2.092   2.857
   92    HE1  MET  10           HE1      MET  10  10.439   3.707   4.257
   93    HE2  MET  10           HE2      MET  10  11.627   3.271   5.504
   94    HE3  MET  10           HE3      MET  10  11.939   2.872   3.803
   95    H    PHE  11           H        PHE  11   9.405   0.751  -0.170
   96    HA   PHE  11           HA       PHE  11  10.345  -1.725  -1.363
   97    HB2  PHE  11           HB2      PHE  11  10.763   1.214  -1.943
   98    HB3  PHE  11           HB3      PHE  11  11.485  -0.070  -2.899
   99    HD1  PHE  11           HD2      PHE  11   9.906  -1.920  -3.830
  100    HD2  PHE  11           HD1      PHE  11   8.506   1.959  -2.511
  101    HE1  PHE  11           HE2      PHE  11   7.964  -2.072  -5.376
  102    HE2  PHE  11           HE1      PHE  11   6.731   1.881  -4.205
  103    HZ   PHE  11           HZ       PHE  11   6.427  -0.147  -5.604
  104    H    ARG  12           H        ARG  12  11.739  -2.767   0.031
  105    HA   ARG  12           HA       ARG  12  14.141  -1.621   1.140
  106    HB2  ARG  12           HB2      ARG  12  13.511  -4.448   0.153
  107    HB3  ARG  12           HB3      ARG  12  14.968  -4.027   1.049
  108    HG2  ARG  12           HG2      ARG  12  12.147  -3.618   2.143
  109    HG3  ARG  12           HG3      ARG  12  13.103  -5.073   2.416
  110    HD2  ARG  12           HD2      ARG  12  14.781  -3.903   3.643
  111    HD3  ARG  12           HD3      ARG  12  14.170  -2.324   3.170
  112    HE   ARG  12           HE       ARG  12  13.136  -4.069   5.279
  113   HH11  ARG  12          HH21      ARG  12  12.345  -1.325   3.268
  114   HH12  ARG  12          HH22      ARG  12  11.314  -0.580   4.462
  115   HH21  ARG  12          HH12      ARG  12  11.693  -3.155   6.756
  116   HH22  ARG  12          HH11      ARG  12  10.910  -1.652   6.369
  117    H    SER  13           H        SER  13  16.155  -1.396   0.299
  118    HA   SER  13           HA       SER  13  17.862  -1.157  -1.187
  119    HB2  SER  13           HB2      SER  13  16.212  -1.426  -3.674
  120    HB3  SER  13           HB3      SER  13  17.936  -1.722  -3.415
  121    HG   SER  13           HG       SER  13  15.707  -3.237  -2.608
  122    H    ASN  14           H        ASN  14  14.834   0.635  -1.253
  123    HA   ASN  14           HA       ASN  14  16.584   2.962  -1.682
  124    HB2  ASN  14           HB2      ASN  14  15.373   4.051  -3.375
  125    HB3  ASN  14           HB3      ASN  14  15.734   2.432  -3.945
  126   HD21  ASN  14          HD21      ASN  14  14.086   2.661  -5.545
  127    H    GLY  15           H        GLY  15  13.594   1.734  -0.296
  128    HA2  GLY  15           HA2      GLY  15  12.883   2.349   1.830
  129    HA3  GLY  15           HA3      GLY  15  13.754   3.877   1.748
  130    H    THR  16           H        THR  16  12.020   3.365  -1.114
  131    HA   THR  16           HA       THR  16  10.018   5.391  -0.675
  132    HB   THR  16           HB       THR  16  10.165   3.150  -2.722
  133    HG1  THR  16           HG1      THR  16  11.892   4.276  -2.856
  134   HG21  THR  16          HG21      THR  16   8.862   4.657  -4.218
  135   HG22  THR  16          HG22      THR  16   7.912   4.037  -2.882
  136   HG23  THR  16          HG23      THR  16   8.529   5.712  -2.827
  137    H    VAL  17           H        VAL  17   7.613   4.843  -0.922
  138    HA   VAL  17           HA       VAL  17   6.798   2.517   0.680
  139    HB   VAL  17           HB       VAL  17   6.294   5.406   1.420
  140   HG11  VAL  17          HG11      VAL  17   4.023   4.490   1.368
  141   HG12  VAL  17          HG12      VAL  17   4.552   3.057   2.284
  142   HG13  VAL  17          HG13      VAL  17   4.560   4.665   3.036
  143   HG21  VAL  17          HG21      VAL  17   8.129   4.127   2.533
  144   HG22  VAL  17          HG22      VAL  17   6.848   4.560   3.672
  145   HG23  VAL  17          HG23      VAL  17   6.931   2.900   3.040
  146    H    TYR  18           H        TYR  18   4.726   1.885   0.263
  147    HA   TYR  18           HA       TYR  18   2.955   3.161  -1.643
  148    HB2  TYR  18           HB2      TYR  18   3.091   1.551  -3.365
  149    HB3  TYR  18           HB3      TYR  18   4.692   2.148  -3.111
  150    HD1  TYR  18           HD1      TYR  18   6.189   0.645  -1.420
  151    HD2  TYR  18           HD2      TYR  18   2.814  -0.709  -3.745
  152    HE1  TYR  18           HE1      TYR  18   7.128  -1.627  -1.414
  153    HE2  TYR  18           HE2      TYR  18   3.768  -3.037  -3.712
  154    HH   TYR  18           HH       TYR  18   6.953  -3.749  -2.344
  155    H    TYR  19           H        TYR  19   1.411   0.770  -2.176
  156    HA   TYR  19           HA       TYR  19   0.849  -0.380   0.479
  157    HB2  TYR  19           HB2      TYR  19  -0.958   1.363  -1.174
  158    HB3  TYR  19           HB3      TYR  19  -1.653  -0.051  -0.423
  159    HD1  TYR  19           HD1      TYR  19   0.349   3.029   0.437
  160    HD2  TYR  19           HD2      TYR  19  -2.355  -0.046   1.791
  161    HE1  TYR  19           HE1      TYR  19  -0.025   4.284   2.557
  162    HE2  TYR  19           HE2      TYR  19  -2.754   1.213   3.882
  163    HH   TYR  19           HH       TYR  19  -2.495   3.246   4.920
  164    H    PHE  20           H        PHE  20  -0.217  -2.312   0.382
  165    HA   PHE  20           HA       PHE  20  -0.119  -3.773  -2.215
  166    HB2  PHE  20           HB2      PHE  20   1.982  -3.897  -0.940
  167    HB3  PHE  20           HB3      PHE  20   1.097  -4.463   0.465
  168    HD1  PHE  20           HD2      PHE  20   2.240  -5.357  -2.944
  169    HD2  PHE  20           HD1      PHE  20   0.410  -6.801   0.692
  170    HE1  PHE  20           HE2      PHE  20   2.455  -7.702  -3.754
  171    HE2  PHE  20           HE1      PHE  20   0.720  -9.137  -0.092
  172    HZ   PHE  20           HZ       PHE  20   1.702  -9.588  -2.311
  173    H    ASN  21           H        ASN  21  -1.849  -5.050  -2.482
  174    HA   ASN  21           HA       ASN  21  -3.782  -5.400  -0.293
  175    HB2  ASN  21           HB2      ASN  21  -4.425  -4.826  -2.690
  176    HB3  ASN  21           HB3      ASN  21  -3.986  -6.478  -3.095
  177   HD21  ASN  21          HD22      ASN  21  -6.580  -4.489  -2.010
  178   HD22  ASN  21          HD21      ASN  21  -7.540  -5.811  -1.367
  179    H    HIS  22           H        HIS  22  -3.058  -6.826   1.239
  180    HA   HIS  22           HA       HIS  22  -1.437  -9.136   0.468
  181    HB2  HIS  22           HB2      HIS  22  -1.438  -9.688   2.822
  182    HB3  HIS  22           HB3      HIS  22  -1.066  -7.990   2.589
  183    HD2  HIS  22           HD2      HIS  22  -2.506  -6.262   3.878
  184    HE1  HIS  22           HE1      HIS  22  -5.550  -8.864   5.340
  185    HE2  HIS  22           HE2      HIS  22  -4.607  -6.485   5.448
  186    H    ILE  23           H        ILE  23  -4.776  -8.614   0.309
  187    HA   ILE  23           HA       ILE  23  -5.485 -11.462   0.646
  188    HB   ILE  23           HB       ILE  23  -7.016  -8.883   0.248
  189   HG12  ILE  23          HG12      ILE  23  -7.007 -11.079   2.359
  190   HG13  ILE  23          HG13      ILE  23  -6.294  -9.475   2.498
  191   HG21  ILE  23          HG21      ILE  23  -8.246 -11.646   0.063
  192   HG22  ILE  23          HG22      ILE  23  -9.109 -10.082   0.125
  193   HG23  ILE  23          HG23      ILE  23  -8.108 -10.464  -1.265
  194   HD11  ILE  23          HD11      ILE  23  -8.641  -8.508   2.243
  195   HD12  ILE  23          HD12      ILE  23  -9.246 -10.170   2.426
  196   HD13  ILE  23          HD13      ILE  23  -8.318  -9.421   3.732
  197    H    THR  24           H        THR  24  -5.070  -9.090  -2.031
  198    HA   THR  24           HA       THR  24  -5.552 -11.332  -3.960
  199    HB   THR  24           HB       THR  24  -5.879  -9.683  -5.646
  200    HG1  THR  24           HG1      THR  24  -5.856  -7.469  -5.046
  201   HG21  THR  24          HG21      THR  24  -7.390  -8.734  -3.177
  202   HG22  THR  24          HG22      THR  24  -7.877  -8.552  -4.876
  203   HG23  THR  24          HG23      THR  24  -7.821 -10.163  -4.141
  204    H    ASN  25           H        ASN  25  -3.000  -9.340  -2.838
  205    HA   ASN  25           HA       ASN  25  -0.786  -9.352  -3.109
  206    HB2  ASN  25           HB2      ASN  25  -0.988 -11.013  -5.645
  207    HB3  ASN  25           HB3      ASN  25   0.467 -10.587  -4.764
  208   HD21  ASN  25          HD22      ASN  25  -2.431 -12.563  -4.687
  209   HD22  ASN  25          HD21      ASN  25  -1.824 -13.662  -3.427
  210    H    ALA  26           H        ALA  26  -3.009  -7.691  -4.751
  211    HA   ALA  26           HA       ALA  26  -1.493  -6.458  -6.858
  212    HB1  ALA  26           HB1      ALA  26  -3.821  -5.358  -5.226
  213    HB2  ALA  26           HB2      ALA  26  -3.282  -4.779  -6.813
  214    HB3  ALA  26           HB3      ALA  26  -3.973  -6.406  -6.661
  215    H    SER  27           H        SER  27  -0.792  -4.142  -6.926
  216    HA   SER  27           HA       SER  27   0.061  -2.948  -4.338
  217    HB2  SER  27           HB2      SER  27   2.150  -2.213  -5.454
  218    HB3  SER  27           HB3      SER  27   2.061  -3.934  -5.112
  219    HG   SER  27           HG       SER  27   1.342  -2.768  -7.618
  220    H    GLN  28           H        GLN  28  -0.012  -0.721  -4.256
  221    HA   GLN  28           HA       GLN  28  -0.387   0.888  -6.685
  222    HB2  GLN  28           HB2      GLN  28  -2.597   0.237  -4.900
  223    HB3  GLN  28           HB3      GLN  28  -2.185   1.914  -4.643
  224    HG2  GLN  28           HG2      GLN  28  -2.715   0.709  -7.396
  225    HG3  GLN  28           HG3      GLN  28  -3.950   1.448  -6.382
  226   HE21  GLN  28          HE22      GLN  28  -4.131   2.845  -8.502
  227   HE22  GLN  28          HE21      GLN  28  -3.085   4.256  -8.459
  228    H    PHE  29           H        PHE  29   0.170   3.162  -6.179
  229    HA   PHE  29           HA       PHE  29   1.845   3.415  -3.707
  230    HB2  PHE  29           HB2      PHE  29   1.828   5.015  -6.257
  231    HB3  PHE  29           HB3      PHE  29   2.595   5.551  -4.773
  232    HD1  PHE  29           HD1      PHE  29   2.831   1.869  -5.789
  233    HD2  PHE  29           HD2      PHE  29   4.799   5.746  -5.670
  234    HE1  PHE  29           HE1      PHE  29   4.832   0.898  -6.717
  235    HE2  PHE  29           HE2      PHE  29   6.859   4.685  -6.511
  236    HZ   PHE  29           HZ       PHE  29   6.880   2.267  -7.075
  237    H    GLU  30           H        GLU  30  -1.234   4.302  -5.125
  238    HA   GLU  30           HA       GLU  30  -1.849   6.456  -3.307
  239    HB2  GLU  30           HB2      GLU  30  -3.102   5.372  -5.442
  240    HB3  GLU  30           HB3      GLU  30  -3.995   4.541  -4.185
  241    HG2  GLU  30           HG2      GLU  30  -3.745   7.526  -4.726
  242    HG3  GLU  30           HG3      GLU  30  -5.185   6.528  -4.901
  243    H    ARG  31           H        ARG  31  -3.004   6.303  -1.421
  244    HA   ARG  31           HA       ARG  31  -2.385   3.944   0.293
  245    HB2  ARG  31           HB2      ARG  31  -3.274   6.542   1.491
  246    HB3  ARG  31           HB3      ARG  31  -2.336   5.284   2.183
  247    HG2  ARG  31           HG2      ARG  31  -0.416   6.326   1.658
  248    HG3  ARG  31           HG3      ARG  31  -0.768   6.307  -0.046
  249    HD2  ARG  31           HD2      ARG  31  -1.443   8.409   2.000
  250    HD3  ARG  31           HD3      ARG  31  -0.439   8.575   0.561
  251    HE   ARG  31           HE       ARG  31  -2.594   8.330  -0.816
  252   HH11  ARG  31          HH21      ARG  31  -3.169   9.361   2.578
  253   HH12  ARG  31          HH22      ARG  31  -4.902   9.426   2.123
  254   HH21  ARG  31          HH11      ARG  31  -4.639   8.529  -1.025
  255   HH22  ARG  31          HH12      ARG  31  -5.645   9.086   0.368
  256    HA   PRO  32           HA       PRO  32  -6.831   3.091   0.210
  257    HB2  PRO  32           HB2      PRO  32  -5.532   0.761   1.640
  258    HB3  PRO  32           HB3      PRO  32  -7.130   0.780   0.795
  259    HG2  PRO  32           HG2      PRO  32  -5.328   0.179  -0.909
  260    HG3  PRO  32           HG3      PRO  32  -6.065   1.648  -1.209
  261    HD2  PRO  32           HD2      PRO  32  -3.475   1.541   0.250
  262    HD3  PRO  32           HD3      PRO  32  -3.918   2.398  -1.261
  263    H    SER  33           H        SER  33  -4.780   3.086   3.095
  264    HA   SER  33           HA       SER  33  -6.681   3.238   5.119
  265    HB2  SER  33           HB2      SER  33  -4.096   4.837   5.014
  266    HB3  SER  33           HB3      SER  33  -4.985   4.355   6.468
  267    HG   SER  33           HG       SER  33  -4.499   2.218   6.023
  268    H    GLY  34           H        GLY  34  -5.429   6.030   3.204
  269    HA2  GLY  34           HA2      GLY  34  -7.586   7.772   4.365
  270    HA3  GLY  34           HA3      GLY  34  -5.947   8.330   4.050
  271    H1   NAG 101           H1       NAG  35  11.319   2.314  -4.495
  272    H2   NAG 101           H2       NAG  35  12.228   3.407  -7.216
  273    H3   NAG 101           H3       NAG  35   9.398   2.765  -6.245
  274    H4   NAG 101           H4       NAG  35  11.098   1.397  -8.395
  275    H5   NAG 101           H5       NAG  35  10.131   0.408  -5.688
  276    H61  NAG 101           H61      NAG  35  11.237  -1.659  -6.096
  277    H62  NAG 101           H62      NAG  35  10.393  -1.351  -7.622
  278    H81  NAG 101           H2M      NAG  35  10.941   7.921  -6.465
  279    H82  NAG 101           H3M      NAG  35  11.889   7.210  -5.141
  280    H83  NAG 101           H1M      NAG  35  10.118   7.048  -5.155
  281    HN2  NAG 101           H2N      NAG  35  11.228   4.735  -4.832
  282    HO3  NAG 101           H3O      NAG  35  10.183   4.468  -8.104
  283    HO4  NAG 101           H4O      NAG  35   8.774   1.695  -8.542
  284    HO6  NAG 101           H6O      NAG  35  13.029  -0.433  -7.087
  Start of MODEL   10
    1    H1   LYS   1           H1       LYS   1  -8.029   5.562  -4.242
    2    H2   LYS   1           H2       LYS   1  -8.659   6.880  -3.518
    3    H3   LYS   1           H3       LYS   1  -9.662   5.775  -4.244
    4    HA   LYS   1           HA       LYS   1  -7.937   5.073  -1.981
    5    HB2  LYS   1           HB2      LYS   1  -9.416   6.870  -1.267
    6    HB3  LYS   1           HB3      LYS   1 -10.832   6.043  -1.899
    7    HG2  LYS   1           HG2      LYS   1  -9.130   4.668   0.197
    8    HG3  LYS   1           HG3      LYS   1 -10.161   6.012   0.678
    9    HD2  LYS   1           HD2      LYS   1 -12.138   4.851  -0.326
   10    HD3  LYS   1           HD3      LYS   1 -11.143   3.426  -0.613
   11    HE2  LYS   1           HE2      LYS   1 -11.663   4.711   2.107
   12    HE3  LYS   1           HE3      LYS   1 -12.530   3.316   1.453
   13    HZ1  LYS   1           HZ1      LYS   1 -10.335   2.156   1.345
   14    HZ2  LYS   1           HZ2      LYS   1  -9.630   3.394   2.109
   15    HZ3  LYS   1           HZ3      LYS   1 -10.792   2.538   2.892
   16    H    LEU   2           H        LEU   2  -8.218   2.902  -1.309
   17    HA   LEU   2           HA       LEU   2 -10.099   1.295  -2.842
   18    HB2  LEU   2           HB2      LEU   2  -7.383   0.102  -2.474
   19    HB3  LEU   2           HB3      LEU   2  -8.645  -0.289  -3.556
   20    HG   LEU   2           HG       LEU   2  -8.324   1.825  -4.859
   21   HD11  LEU   2          HD11      LEU   2  -6.601   2.956  -3.441
   22   HD12  LEU   2          HD12      LEU   2  -5.542   1.526  -3.639
   23   HD13  LEU   2          HD13      LEU   2  -5.976   2.507  -5.037
   24   HD21  LEU   2          HD21      LEU   2  -7.804  -0.527  -5.594
   25   HD22  LEU   2          HD22      LEU   2  -6.672   0.660  -6.247
   26   HD23  LEU   2          HD23      LEU   2  -6.188  -0.332  -4.860
   27    HA   PRO   3           HA       PRO   3 -11.622  -0.944   0.508
   28    HB2  PRO   3           HB2      PRO   3 -10.383  -3.420  -0.732
   29    HB3  PRO   3           HB3      PRO   3 -12.090  -3.224  -0.185
   30    HG2  PRO   3           HG2      PRO   3 -11.548  -3.102  -2.772
   31    HG3  PRO   3           HG3      PRO   3 -12.512  -1.739  -2.074
   32    HD2  PRO   3           HD2      PRO   3  -9.473  -1.869  -2.452
   33    HD3  PRO   3           HD3      PRO   3 -10.620  -0.632  -3.034
   34    HA   PRO   4           HA       PRO   4  -9.228  -2.948   3.846
   35    HB2  PRO   4           HB2      PRO   4 -11.494  -4.952   3.801
   36    HB3  PRO   4           HB3      PRO   4 -10.747  -4.137   5.212
   37    HG2  PRO   4           HG2      PRO   4 -13.135  -3.284   4.266
   38    HG3  PRO   4           HG3      PRO   4 -11.875  -2.086   4.713
   39    HD2  PRO   4           HD2      PRO   4 -12.602  -3.119   1.968
   40    HD3  PRO   4           HD3      PRO   4 -12.290  -1.437   2.496
   41    H    GLY   5           H        GLY   5  -7.691  -4.640   3.813
   42    HA2  GLY   5           HA2      GLY   5  -6.916  -6.849   2.851
   43    HA3  GLY   5           HA3      GLY   5  -7.705  -6.362   1.363
   44    H    TRP   6           H        TRP   6  -6.972  -3.458   1.262
   45    HA   TRP   6           HA       TRP   6  -4.172  -3.677   0.537
   46    HB2  TRP   6           HB2      TRP   6  -6.132  -1.433   0.878
   47    HB3  TRP   6           HB3      TRP   6  -4.526  -1.244   0.210
   48    HD1  TRP   6           HD1      TRP   6  -7.911  -2.085  -0.963
   49    HE1  TRP   6           HE1      TRP   6  -7.788  -2.098  -3.446
   50    HE3  TRP   6           HE3      TRP   6  -2.918  -2.046  -1.502
   51    HZ2  TRP   6           HZ2      TRP   6  -5.761  -2.799  -5.526
   52    HZ3  TRP   6           HZ3      TRP   6  -1.917  -2.100  -3.682
   53    HH2  TRP   6           HH2      TRP   6  -3.284  -2.578  -5.760
   54    H    GLU   7           H        GLU   7  -2.427  -3.086   1.595
   55    HA   GLU   7           HA       GLU   7  -2.563  -1.760   4.270
   56    HB2  GLU   7           HB2      GLU   7  -2.622  -4.268   4.382
   57    HB3  GLU   7           HB3      GLU   7  -1.089  -4.305   3.502
   58    HG2  GLU   7           HG2      GLU   7  -0.016  -3.063   5.397
   59    HG3  GLU   7           HG3      GLU   7  -1.565  -3.098   6.263
   60    H    LYS   8           H        LYS   8  -0.729  -0.460   4.750
   61    HA   LYS   8           HA       LYS   8   0.792   0.517   2.573
   62    HB2  LYS   8           HB2      LYS   8   0.189   1.727   4.672
   63    HB3  LYS   8           HB3      LYS   8   1.448   0.831   5.527
   64    HG2  LYS   8           HG2      LYS   8   3.177   1.830   4.048
   65    HG3  LYS   8           HG3      LYS   8   1.933   2.604   3.075
   66    HD2  LYS   8           HD2      LYS   8   2.199   3.185   6.055
   67    HD3  LYS   8           HD3      LYS   8   3.125   4.074   4.829
   68    HE2  LYS   8           HE2      LYS   8   1.077   4.754   3.681
   69    HE3  LYS   8           HE3      LYS   8   0.092   3.790   4.778
   70    HZ1  LYS   8           HZ1      LYS   8   0.029   6.095   5.309
   71    HZ2  LYS   8           HZ2      LYS   8   0.652   5.245   6.560
   72    HZ3  LYS   8           HZ3      LYS   8   1.655   6.160   5.602
   73    H    ARG   9           H        ARG   9   2.923   0.378   1.997
   74    HA   ARG   9           HA       ARG   9   4.526  -1.905   3.019
   75    HB2  ARG   9           HB2      ARG   9   2.698  -2.506   1.217
   76    HB3  ARG   9           HB3      ARG   9   3.707  -1.622   0.090
   77    HG2  ARG   9           HG2      ARG   9   4.145  -3.962  -0.134
   78    HG3  ARG   9           HG3      ARG   9   5.563  -3.234   0.579
   79    HD2  ARG   9           HD2      ARG   9   5.272  -5.219   1.786
   80    HD3  ARG   9           HD3      ARG   9   4.679  -3.990   2.884
   81    HE   ARG   9           HE       ARG   9   3.045  -5.936   1.309
   82   HH11  ARG   9          HH11      ARG   9   2.637  -3.499   3.986
   83   HH12  ARG   9          HH12      ARG   9   1.645  -4.712   4.786
   84   HH21  ARG   9          HH21      ARG   9   1.540  -7.132   2.598
   85   HH22  ARG   9          HH22      ARG   9   0.996  -6.304   4.078
   86    H    MET  10           H        MET  10   6.770  -1.884   2.236
   87    HA   MET  10           HA       MET  10   7.631   0.774   1.207
   88    HB2  MET  10           HB2      MET  10   7.728   0.686   3.715
   89    HB3  MET  10           HB3      MET  10   8.866  -0.661   3.574
   90    HG2  MET  10           HG2      MET  10  10.243   0.975   2.052
   91    HG3  MET  10           HG3      MET  10   9.250   2.233   2.736
   92    HE1  MET  10           HE1      MET  10   8.831   1.633   5.738
   93    HE2  MET  10           HE2      MET  10  10.280   2.380   6.447
   94    HE3  MET  10           HE3      MET  10   9.442   3.179   5.099
   95    H    PHE  11           H        PHE  11   9.120   0.756  -0.286
   96    HA   PHE  11           HA       PHE  11  10.298  -1.692  -1.325
   97    HB2  PHE  11           HB2      PHE  11  10.529   1.249  -1.995
   98    HB3  PHE  11           HB3      PHE  11  11.328  -0.034  -2.900
   99    HD1  PHE  11           HD1      PHE  11   9.730  -2.020  -3.696
  100    HD2  PHE  11           HD2      PHE  11   8.352   1.950  -2.670
  101    HE1  PHE  11           HE1      PHE  11   7.770  -2.305  -5.184
  102    HE2  PHE  11           HE2      PHE  11   6.519   1.723  -4.310
  103    HZ   PHE  11           HZ       PHE  11   6.201  -0.418  -5.530
  104    H    ARG  12           H        ARG  12  11.684  -2.547   0.141
  105    HA   ARG  12           HA       ARG  12  13.715  -1.091   1.557
  106    HB2  ARG  12           HB2      ARG  12  13.857  -3.998   0.664
  107    HB3  ARG  12           HB3      ARG  12  14.712  -3.239   2.005
  108    HG2  ARG  12           HG2      ARG  12  11.777  -3.976   1.814
  109    HG3  ARG  12           HG3      ARG  12  12.984  -4.510   2.980
  110    HD2  ARG  12           HD2      ARG  12  13.067  -2.053   3.778
  111    HD3  ARG  12           HD3      ARG  12  11.597  -1.795   2.834
  112    HE   ARG  12           HE       ARG  12  11.869  -3.115   5.380
  113   HH11  ARG  12          HH21      ARG  12   9.650  -3.053   2.580
  114   HH12  ARG  12          HH22      ARG  12   8.512  -4.052   3.433
  115   HH21  ARG  12          HH11      ARG  12  10.252  -4.200   6.397
  116   HH22  ARG  12          HH12      ARG  12   8.765  -4.533   5.570
  117    H    SER  13           H        SER  13  16.006  -1.129   1.160
  118    HA   SER  13           HA       SER  13  17.776  -0.436   0.025
  119    HB2  SER  13           HB2      SER  13  17.670  -2.635  -1.114
  120    HB3  SER  13           HB3      SER  13  16.766  -1.868  -2.442
  121    HG   SER  13           HG       SER  13  18.586  -0.279  -2.363
  122    H    ASN  14           H        ASN  14  14.702   0.829  -0.944
  123    HA   ASN  14           HA       ASN  14  16.298   3.171  -1.795
  124    HB2  ASN  14           HB2      ASN  14  15.186   3.689  -3.716
  125    HB3  ASN  14           HB3      ASN  14  15.432   1.957  -3.850
  126   HD21  ASN  14          HD21      ASN  14  13.810   2.459  -5.579
  127    H    GLY  15           H        GLY  15  13.407   2.018  -0.150
  128    HA2  GLY  15           HA2      GLY  15  12.701   3.008   1.852
  129    HA3  GLY  15           HA3      GLY  15  13.507   4.522   1.425
  130    H    THR  16           H        THR  16  11.749   3.431  -1.267
  131    HA   THR  16           HA       THR  16   9.674   5.469  -0.963
  132    HB   THR  16           HB       THR  16  10.051   3.224  -2.974
  133    HG1  THR  16           HG1      THR  16  11.571   4.990  -2.703
  134   HG21  THR  16          HG21      THR  16   7.674   3.931  -3.100
  135   HG22  THR  16          HG22      THR  16   8.188   5.635  -3.157
  136   HG23  THR  16          HG23      THR  16   8.578   4.523  -4.484
  137    H    VAL  17           H        VAL  17   7.349   4.844  -1.150
  138    HA   VAL  17           HA       VAL  17   6.592   2.555   0.537
  139    HB   VAL  17           HB       VAL  17   6.138   5.456   1.286
  140   HG11  VAL  17          HG11      VAL  17   3.901   4.420   1.461
  141   HG12  VAL  17          HG12      VAL  17   4.594   3.077   2.393
  142   HG13  VAL  17          HG13      VAL  17   4.590   4.724   3.054
  143   HG21  VAL  17          HG21      VAL  17   6.927   4.671   3.497
  144   HG22  VAL  17          HG22      VAL  17   7.012   3.005   2.882
  145   HG23  VAL  17          HG23      VAL  17   8.116   4.259   2.254
  146    H    TYR  18           H        TYR  18   4.527   1.913   0.212
  147    HA   TYR  18           HA       TYR  18   2.722   3.117  -1.753
  148    HB2  TYR  18           HB2      TYR  18   2.945   1.484  -3.428
  149    HB3  TYR  18           HB3      TYR  18   4.539   2.101  -3.136
  150    HD1  TYR  18           HD2      TYR  18   5.996   0.631  -1.369
  151    HD2  TYR  18           HD1      TYR  18   2.690  -0.791  -3.759
  152    HE1  TYR  18           HE2      TYR  18   6.908  -1.677  -1.257
  153    HE2  TYR  18           HE1      TYR  18   3.606  -3.103  -3.618
  154    HH   TYR  18           HH       TYR  18   5.421  -4.393  -2.980
  155    H    TYR  19           H        TYR  19   1.191   0.786  -2.298
  156    HA   TYR  19           HA       TYR  19   0.595  -0.365   0.351
  157    HB2  TYR  19           HB2      TYR  19  -1.109   1.358  -1.369
  158    HB3  TYR  19           HB3      TYR  19  -1.850  -0.152  -0.917
  159    HD1  TYR  19           HD2      TYR  19  -0.030   2.726   0.574
  160    HD2  TYR  19           HD1      TYR  19  -2.850  -0.425   1.159
  161    HE1  TYR  19           HE2      TYR  19  -0.756   3.769   2.743
  162    HE2  TYR  19           HE1      TYR  19  -3.591   0.572   3.320
  163    HH   TYR  19           HH       TYR  19  -2.313   3.738   4.490
  164    H    PHE  20           H        PHE  20  -0.302  -2.352   0.306
  165    HA   PHE  20           HA       PHE  20  -0.176  -3.897  -2.233
  166    HB2  PHE  20           HB2      PHE  20   1.904  -3.937  -0.909
  167    HB3  PHE  20           HB3      PHE  20   1.021  -4.524   0.493
  168    HD1  PHE  20           HD2      PHE  20   2.388  -5.380  -2.816
  169    HD2  PHE  20           HD1      PHE  20   0.167  -6.853   0.568
  170    HE1  PHE  20           HE2      PHE  20   2.674  -7.714  -3.640
  171    HE2  PHE  20           HE1      PHE  20   0.538  -9.196  -0.220
  172    HZ   PHE  20           HZ       PHE  20   1.759  -9.615  -2.328
  173    H    ASN  21           H        ASN  21  -1.885  -5.187  -2.499
  174    HA   ASN  21           HA       ASN  21  -3.866  -5.457  -0.314
  175    HB2  ASN  21           HB2      ASN  21  -4.546  -4.803  -2.670
  176    HB3  ASN  21           HB3      ASN  21  -4.032  -6.381  -3.186
  177   HD21  ASN  21          HD22      ASN  21  -6.641  -4.554  -1.717
  178   HD22  ASN  21          HD21      ASN  21  -7.608  -5.977  -1.362
  179    H    HIS  22           H        HIS  22  -2.976  -6.980   1.163
  180    HA   HIS  22           HA       HIS  22  -1.700  -9.383   0.050
  181    HB2  HIS  22           HB2      HIS  22  -1.418 -10.088   2.377
  182    HB3  HIS  22           HB3      HIS  22  -0.750  -8.514   2.023
  183    HD2  HIS  22           HD2      HIS  22  -1.373  -6.573   3.540
  184    HE1  HIS  22           HE1      HIS  22  -4.153  -8.611   6.027
  185    HE2  HIS  22           HE2      HIS  22  -2.572  -6.574   5.837
  186    H    ILE  23           H        ILE  23  -4.898  -8.657   0.077
  187    HA   ILE  23           HA       ILE  23  -5.828 -11.404   0.672
  188    HB   ILE  23           HB       ILE  23  -7.074  -8.715   0.097
  189   HG12  ILE  23          HG12      ILE  23  -7.255 -10.773   2.336
  190   HG13  ILE  23          HG13      ILE  23  -6.477  -9.195   2.389
  191   HG21  ILE  23          HG21      ILE  23  -8.333 -10.227  -1.336
  192   HG22  ILE  23          HG22      ILE  23  -8.637 -11.303   0.054
  193   HG23  ILE  23          HG23      ILE  23  -9.290  -9.639   0.019
  194   HD11  ILE  23          HD11      ILE  23  -8.499  -8.968   3.603
  195   HD12  ILE  23          HD12      ILE  23  -8.831  -8.183   2.048
  196   HD13  ILE  23          HD13      ILE  23  -9.448  -9.815   2.372
  197    H    THR  24           H        THR  24  -4.994  -9.352  -2.022
  198    HA   THR  24           HA       THR  24  -5.651 -11.537  -3.990
  199    HB   THR  24           HB       THR  24  -5.749  -9.735  -5.683
  200    HG1  THR  24           HG1      THR  24  -5.582  -8.030  -3.440
  201   HG21  THR  24          HG21      THR  24  -7.856 -10.350  -4.478
  202   HG22  THR  24          HG22      THR  24  -7.532  -9.053  -3.303
  203   HG23  THR  24          HG23      THR  24  -7.811  -8.653  -5.006
  204    H    ASN  25           H        ASN  25  -3.096  -9.566  -2.820
  205    HA   ASN  25           HA       ASN  25  -0.874  -9.556  -3.017
  206    HB2  ASN  25           HB2      ASN  25  -1.002 -11.238  -5.545
  207    HB3  ASN  25           HB3      ASN  25   0.435 -10.783  -4.650
  208   HD21  ASN  25          HD22      ASN  25  -2.410 -12.821  -4.612
  209   HD22  ASN  25          HD21      ASN  25  -1.804 -13.898  -3.334
  210    H    ALA  26           H        ALA  26  -3.054  -7.896  -4.723
  211    HA   ALA  26           HA       ALA  26  -1.474  -6.700  -6.801
  212    HB1  ALA  26           HB1      ALA  26  -3.267  -5.058  -6.891
  213    HB2  ALA  26           HB2      ALA  26  -3.975  -6.663  -6.635
  214    HB3  ALA  26           HB3      ALA  26  -3.833  -5.521  -5.278
  215    H    SER  27           H        SER  27  -0.893  -4.319  -6.888
  216    HA   SER  27           HA       SER  27  -0.065  -3.059  -4.327
  217    HB2  SER  27           HB2      SER  27   2.033  -2.331  -5.429
  218    HB3  SER  27           HB3      SER  27   1.963  -4.036  -5.016
  219    HG   SER  27           HG       SER  27   1.262  -3.000  -7.582
  220    H    GLN  28           H        GLN  28  -0.205  -0.814  -4.347
  221    HA   GLN  28           HA       GLN  28  -0.448   0.642  -6.876
  222    HB2  GLN  28           HB2      GLN  28  -2.819   0.060  -5.453
  223    HB3  GLN  28           HB3      GLN  28  -2.393   1.656  -4.879
  224    HG2  GLN  28           HG2      GLN  28  -2.846   0.810  -7.773
  225    HG3  GLN  28           HG3      GLN  28  -3.952   1.736  -6.767
  226   HE21  GLN  28          HE22      GLN  28  -3.951   4.071  -7.251
  227   HE22  GLN  28          HE21      GLN  28  -2.490   4.743  -7.952
  228    H    PHE  29           H        PHE  29   0.126   2.926  -6.524
  229    HA   PHE  29           HA       PHE  29   1.759   3.294  -4.060
  230    HB2  PHE  29           HB2      PHE  29   1.698   4.730  -6.700
  231    HB3  PHE  29           HB3      PHE  29   2.493   5.389  -5.282
  232    HD1  PHE  29           HD2      PHE  29   2.661   1.635  -5.956
  233    HD2  PHE  29           HD1      PHE  29   4.679   5.478  -6.242
  234    HE1  PHE  29           HE2      PHE  29   4.654   0.543  -6.764
  235    HE2  PHE  29           HE1      PHE  29   6.732   4.305  -6.951
  236    HZ   PHE  29           HZ       PHE  29   6.722   1.839  -7.247
  237    H    GLU  30           H        GLU  30  -1.410   4.291  -5.249
  238    HA   GLU  30           HA       GLU  30  -1.562   6.529  -3.369
  239    HB2  GLU  30           HB2      GLU  30  -3.822   6.707  -3.890
  240    HB3  GLU  30           HB3      GLU  30  -3.057   6.249  -5.409
  241    HG2  GLU  30           HG2      GLU  30  -3.732   3.834  -4.878
  242    HG3  GLU  30           HG3      GLU  30  -4.632   4.464  -3.496
  243    H    ARG  31           H        ARG  31  -2.802   6.460  -1.384
  244    HA   ARG  31           HA       ARG  31  -2.467   3.901   0.054
  245    HB2  ARG  31           HB2      ARG  31  -2.848   6.712   1.146
  246    HB3  ARG  31           HB3      ARG  31  -2.657   5.228   2.072
  247    HG2  ARG  31           HG2      ARG  31  -0.495   5.926   2.130
  248    HG3  ARG  31           HG3      ARG  31  -0.438   4.924   0.691
  249    HD2  ARG  31           HD2      ARG  31  -1.117   7.532  -0.191
  250    HD3  ARG  31           HD3      ARG  31   0.117   7.732   1.054
  251    HE   ARG  31           HE       ARG  31   0.391   6.279  -1.554
  252   HH11  ARG  31          HH11      ARG  31   2.148   7.278   1.323
  253   HH12  ARG  31          HH12      ARG  31   3.669   6.776   0.610
  254   HH21  ARG  31          HH21      ARG  31   2.161   5.707  -2.313
  255   HH22  ARG  31          HH22      ARG  31   3.682   5.657  -1.431
  256    HA   PRO  32           HA       PRO  32  -7.036   3.120  -0.139
  257    HB2  PRO  32           HB2      PRO  32  -5.603   0.849   1.233
  258    HB3  PRO  32           HB3      PRO  32  -7.233   0.808   0.461
  259    HG2  PRO  32           HG2      PRO  32  -5.453   0.204  -1.246
  260    HG3  PRO  32           HG3      PRO  32  -6.319   1.636  -1.600
  261    HD2  PRO  32           HD2      PRO  32  -3.589   1.722  -0.370
  262    HD3  PRO  32           HD3      PRO  32  -4.253   2.621  -1.761
  263    H    SER  33           H        SER  33  -4.839   3.145   2.663
  264    HA   SER  33           HA       SER  33  -7.061   4.152   4.389
  265    HB2  SER  33           HB2      SER  33  -6.678   1.749   4.800
  266    HB3  SER  33           HB3      SER  33  -4.981   2.090   5.197
  267    HG   SER  33           HG       SER  33  -5.873   3.644   6.725
  268    H    GLY  34           H        GLY  34  -4.678   5.547   3.002
  269    HA2  GLY  34           HA2      GLY  34  -3.493   7.489   3.597
  270    HA3  GLY  34           HA3      GLY  34  -3.856   7.200   5.296
  271    H1   NAG 101           H1       NAG  35  11.032   2.144  -4.549
  272    H2   NAG 101           H2       NAG  35  12.023   3.115  -7.288
  273    H3   NAG 101           H3       NAG  35   9.156   2.537  -6.397
  274    H4   NAG 101           H4       NAG  35  10.943   1.079  -8.416
  275    H5   NAG 101           H5       NAG  35   9.838   0.238  -5.713
  276    H61  NAG 101           H61      NAG  35   9.948  -1.784  -7.053
  277    H62  NAG 101           H62      NAG  35  11.505  -1.294  -7.750
  278    H81  NAG 101           H2M      NAG  35  10.790   7.667  -6.790
  279    H82  NAG 101           H3M      NAG  35  11.662   7.007  -5.390
  280    H83  NAG 101           H1M      NAG  35   9.888   6.877  -5.479
  281    HN2  NAG 101           H2N      NAG  35  10.995   4.559  -4.993
  282    HO3  NAG 101           H3O      NAG  35  10.024   4.161  -8.292
  283    HO4  NAG 101           H4O      NAG  35   8.621   1.382  -8.701
  284    HO6  NAG 101           H6O      NAG  35  12.172  -1.184  -5.416
  Start of MODEL   11
    1    H1   LYS   1           H1       LYS   1 -11.108   1.022   4.848
    2    H2   LYS   1           H2       LYS   1 -12.156  -0.248   4.691
    3    H3   LYS   1           H3       LYS   1 -12.362   0.901   5.871
    4    HA   LYS   1           HA       LYS   1 -13.956   1.331   4.135
    5    HB2  LYS   1           HB2      LYS   1 -11.640   3.301   4.009
    6    HB3  LYS   1           HB3      LYS   1 -13.291   3.619   3.482
    7    HG2  LYS   1           HG2      LYS   1 -14.115   3.508   5.764
    8    HG3  LYS   1           HG3      LYS   1 -12.570   2.925   6.361
    9    HD2  LYS   1           HD2      LYS   1 -11.846   5.315   5.059
   10    HD3  LYS   1           HD3      LYS   1 -13.435   5.680   5.722
   11    HE2  LYS   1           HE2      LYS   1 -11.868   6.326   7.383
   12    HE3  LYS   1           HE3      LYS   1 -12.587   4.819   7.966
   13    HZ1  LYS   1           HZ1      LYS   1  -9.938   5.060   6.604
   14    HZ2  LYS   1           HZ2      LYS   1 -10.176   4.753   8.207
   15    HZ3  LYS   1           HZ3      LYS   1 -10.589   3.655   7.042
   16    H    LEU   2           H        LEU   2 -10.603   1.544   2.866
   17    HA   LEU   2           HA       LEU   2 -11.149   1.177   0.025
   18    HB2  LEU   2           HB2      LEU   2  -8.779   1.150   1.708
   19    HB3  LEU   2           HB3      LEU   2  -8.822   1.015  -0.055
   20    HG   LEU   2           HG       LEU   2 -10.657   3.163   0.519
   21   HD11  LEU   2          HD11      LEU   2  -9.883   3.730   2.576
   22   HD12  LEU   2          HD12      LEU   2  -8.229   3.313   2.222
   23   HD13  LEU   2          HD13      LEU   2  -8.960   4.798   1.514
   24   HD21  LEU   2          HD21      LEU   2  -9.427   2.861  -1.539
   25   HD22  LEU   2          HD22      LEU   2  -9.300   4.493  -0.864
   26   HD23  LEU   2          HD23      LEU   2  -7.948   3.369  -0.727
   27    HA   PRO   3           HA       PRO   3 -11.921  -2.882  -0.489
   28    HB2  PRO   3           HB2      PRO   3  -9.401  -3.173  -2.159
   29    HB3  PRO   3           HB3      PRO   3 -11.046  -3.764  -2.537
   30    HG2  PRO   3           HG2      PRO   3 -10.201  -1.476  -3.655
   31    HG3  PRO   3           HG3      PRO   3 -11.849  -1.552  -2.945
   32    HD2  PRO   3           HD2      PRO   3  -9.363  -0.330  -1.775
   33    HD3  PRO   3           HD3      PRO   3 -10.977   0.295  -1.731
   34    HA   PRO   4           HA       PRO   4 -10.177  -5.378   2.467
   35    HB2  PRO   4           HB2      PRO   4 -10.639  -7.996   1.658
   36    HB3  PRO   4           HB3      PRO   4 -11.889  -6.869   2.266
   37    HG2  PRO   4           HG2      PRO   4 -11.168  -7.487  -0.610
   38    HG3  PRO   4           HG3      PRO   4 -12.799  -7.386   0.130
   39    HD2  PRO   4           HD2      PRO   4 -11.772  -5.324  -1.257
   40    HD3  PRO   4           HD3      PRO   4 -12.693  -5.017   0.244
   41    H    GLY   5           H        GLY   5  -8.156  -5.600   2.985
   42    HA2  GLY   5           HA2      GLY   5  -6.107  -6.970   2.801
   43    HA3  GLY   5           HA3      GLY   5  -6.236  -6.833   1.080
   44    H    TRP   6           H        TRP   6  -6.926  -3.575   1.535
   45    HA   TRP   6           HA       TRP   6  -4.182  -3.128   0.811
   46    HB2  TRP   6           HB2      TRP   6  -6.266  -1.051   1.494
   47    HB3  TRP   6           HB3      TRP   6  -4.718  -0.711   0.891
   48    HD1  TRP   6           HD1      TRP   6  -7.981  -1.117  -0.248
   49    HE1  TRP   6           HE1      TRP   6  -7.926  -0.843  -2.814
   50    HE3  TRP   6           HE3      TRP   6  -3.046  -1.817  -1.094
   51    HZ2  TRP   6           HZ2      TRP   6  -6.120  -1.496  -5.000
   52    HZ3  TRP   6           HZ3      TRP   6  -2.145  -1.745  -3.378
   53    HH2  TRP   6           HH2      TRP   6  -3.659  -1.736  -5.359
   54    H    GLU   7           H        GLU   7  -2.416  -2.652   1.811
   55    HA   GLU   7           HA       GLU   7  -2.448  -1.069   4.296
   56    HB2  GLU   7           HB2      GLU   7  -2.585  -3.627   4.777
   57    HB3  GLU   7           HB3      GLU   7  -0.893  -3.678   4.312
   58    HG2  GLU   7           HG2      GLU   7  -2.057  -1.859   6.481
   59    HG3  GLU   7           HG3      GLU   7  -1.466  -3.485   6.795
   60    H    LYS   8           H        LYS   8  -0.448  -0.104   4.812
   61    HA   LYS   8           HA       LYS   8   1.015   0.942   2.577
   62    HB2  LYS   8           HB2      LYS   8   0.559   2.383   4.325
   63    HB3  LYS   8           HB3      LYS   8   1.014   1.288   5.579
   64    HG2  LYS   8           HG2      LYS   8   3.028   2.527   3.657
   65    HG3  LYS   8           HG3      LYS   8   2.465   3.334   5.114
   66    HD2  LYS   8           HD2      LYS   8   4.235   0.884   4.955
   67    HD3  LYS   8           HD3      LYS   8   4.547   2.450   5.637
   68    HE2  LYS   8           HE2      LYS   8   4.305   1.150   7.505
   69    HE3  LYS   8           HE3      LYS   8   2.731   1.939   7.403
   70    HZ1  LYS   8           HZ1      LYS   8   2.929  -0.651   7.780
   71    HZ2  LYS   8           HZ2      LYS   8   1.722  -0.117   6.829
   72    HZ3  LYS   8           HZ3      LYS   8   3.025  -0.693   6.118
   73    H    ARG   9           H        ARG   9   2.938   0.448   1.717
   74    HA   ARG   9           HA       ARG   9   4.521  -1.798   2.891
   75    HB2  ARG   9           HB2      ARG   9   2.662  -2.333   1.078
   76    HB3  ARG   9           HB3      ARG   9   3.791  -1.607  -0.042
   77    HG2  ARG   9           HG2      ARG   9   4.274  -3.829  -0.263
   78    HG3  ARG   9           HG3      ARG   9   5.494  -3.397   0.910
   79    HD2  ARG   9           HD2      ARG   9   2.843  -4.832   1.411
   80    HD3  ARG   9           HD3      ARG   9   4.434  -5.550   1.400
   81    HE   ARG   9           HE       ARG   9   4.918  -4.626   3.510
   82   HH11  ARG   9          HH11      ARG   9   1.528  -3.665   2.686
   83   HH12  ARG   9          HH12      ARG   9   1.294  -3.405   4.423
   84   HH21  ARG   9          HH21      ARG   9   4.190  -4.249   5.670
   85   HH22  ARG   9          HH22      ARG   9   2.521  -3.642   5.803
   86    H    MET  10           H        MET  10   6.761  -1.918   1.995
   87    HA   MET  10           HA       MET  10   7.731   0.707   0.997
   88    HB2  MET  10           HB2      MET  10   7.785   0.546   3.529
   89    HB3  MET  10           HB3      MET  10   8.932  -0.792   3.347
   90    HG2  MET  10           HG2      MET  10  10.372   0.826   1.971
   91    HG3  MET  10           HG3      MET  10   9.296   2.104   2.473
   92    HE1  MET  10           HE1      MET  10   9.322   3.299   4.704
   93    HE2  MET  10           HE2      MET  10   8.616   1.831   5.424
   94    HE3  MET  10           HE3      MET  10  10.006   2.626   6.199
   95    H    PHE  11           H        PHE  11   9.496   0.668  -0.298
   96    HA   PHE  11           HA       PHE  11  10.348  -1.929  -1.356
   97    HB2  PHE  11           HB2      PHE  11  10.815   0.944  -2.152
   98    HB3  PHE  11           HB3      PHE  11  11.494  -0.431  -3.008
   99    HD1  PHE  11           HD1      PHE  11   9.838  -2.307  -3.766
  100    HD2  PHE  11           HD2      PHE  11   8.564   1.709  -2.755
  101    HE1  PHE  11           HE1      PHE  11   7.889  -2.521  -5.291
  102    HE2  PHE  11           HE2      PHE  11   6.770   1.542  -4.421
  103    HZ   PHE  11           HZ       PHE  11   6.397  -0.582  -5.656
  104    H    ARG  12           H        ARG  12  11.701  -2.882   0.058
  105    HA   ARG  12           HA       ARG  12  13.981  -1.922   1.343
  106    HB2  ARG  12           HB2      ARG  12  14.865  -4.248   1.101
  107    HB3  ARG  12           HB3      ARG  12  13.206  -4.156   1.663
  108    HG2  ARG  12           HG2      ARG  12  13.098  -5.922   0.186
  109    HG3  ARG  12           HG3      ARG  12  12.499  -4.604  -0.795
  110    HD2  ARG  12           HD2      ARG  12  15.076  -4.476  -1.584
  111    HD3  ARG  12           HD3      ARG  12  15.120  -6.099  -0.935
  112    HE   ARG  12           HE       ARG  12  13.868  -6.847  -2.728
  113   HH11  ARG  12          HH11      ARG  12  13.650  -3.305  -2.784
  114   HH12  ARG  12          HH12      ARG  12  12.873  -3.319  -4.356
  115   HH21  ARG  12          HH21      ARG  12  12.866  -6.723  -4.755
  116   HH22  ARG  12          HH22      ARG  12  12.456  -5.150  -5.384
  117    H    SER  13           H        SER  13  16.157  -1.697   0.801
  118    HA   SER  13           HA       SER  13  17.963  -1.097  -0.324
  119    HB2  SER  13           HB2      SER  13  18.542  -1.866  -2.484
  120    HB3  SER  13           HB3      SER  13  17.667  -3.163  -1.652
  121    HG   SER  13           HG       SER  13  15.746  -2.177  -2.753
  122    H    ASN  14           H        ASN  14  14.959   0.419  -1.210
  123    HA   ASN  14           HA       ASN  14  16.689   2.755  -1.779
  124    HB2  ASN  14           HB2      ASN  14  15.576   3.537  -3.657
  125    HB3  ASN  14           HB3      ASN  14  15.920   1.844  -3.969
  126   HD21  ASN  14          HD21      ASN  14  14.323   2.019  -5.676
  127    H    GLY  15           H        GLY  15  13.672   1.612  -0.338
  128    HA2  GLY  15           HA2      GLY  15  12.922   2.502   1.701
  129    HA3  GLY  15           HA3      GLY  15  13.812   4.000   1.416
  130    H    THR  16           H        THR  16  12.128   3.132  -1.382
  131    HA   THR  16           HA       THR  16  10.157   5.237  -1.227
  132    HB   THR  16           HB       THR  16  10.284   2.796  -3.032
  133    HG1  THR  16           HG1      THR  16  12.066   3.841  -3.225
  134   HG21  THR  16          HG21      THR  16   8.071   3.771  -3.293
  135   HG22  THR  16          HG22      THR  16   8.772   5.403  -3.443
  136   HG23  THR  16          HG23      THR  16   9.050   4.168  -4.691
  137    H    VAL  17           H        VAL  17   7.759   4.751  -1.413
  138    HA   VAL  17           HA       VAL  17   6.847   2.575   0.333
  139    HB   VAL  17           HB       VAL  17   6.565   5.513   0.989
  140   HG11  VAL  17          HG11      VAL  17   4.659   3.340   1.962
  141   HG12  VAL  17          HG12      VAL  17   4.807   4.970   2.648
  142   HG13  VAL  17          HG13      VAL  17   4.228   4.775   0.998
  143   HG21  VAL  17          HG21      VAL  17   7.035   3.004   2.665
  144   HG22  VAL  17          HG22      VAL  17   8.310   4.132   2.117
  145   HG23  VAL  17          HG23      VAL  17   7.078   4.679   3.262
  146    H    TYR  18           H        TYR  18   4.725   2.064   0.029
  147    HA   TYR  18           HA       TYR  18   3.026   3.299  -1.969
  148    HB2  TYR  18           HB2      TYR  18   3.107   1.570  -3.590
  149    HB3  TYR  18           HB3      TYR  18   4.731   2.120  -3.357
  150    HD1  TYR  18           HD1      TYR  18   6.138   0.662  -1.519
  151    HD2  TYR  18           HD2      TYR  18   2.771  -0.702  -3.863
  152    HE1  TYR  18           HE1      TYR  18   6.983  -1.645  -1.358
  153    HE2  TYR  18           HE2      TYR  18   3.643  -3.048  -3.679
  154    HH   TYR  18           HH       TYR  18   6.722  -3.801  -2.086
  155    H    TYR  19           H        TYR  19   1.344   1.029  -2.392
  156    HA   TYR  19           HA       TYR  19   0.772  -0.037   0.306
  157    HB2  TYR  19           HB2      TYR  19  -0.948   1.692  -1.400
  158    HB3  TYR  19           HB3      TYR  19  -1.706   0.211  -0.873
  159    HD1  TYR  19           HD1      TYR  19   0.316   3.034   0.497
  160    HD2  TYR  19           HD2      TYR  19  -2.673   0.052   1.252
  161    HE1  TYR  19           HE1      TYR  19  -0.337   4.200   2.651
  162    HE2  TYR  19           HE2      TYR  19  -3.388   1.248   3.308
  163    HH   TYR  19           HH       TYR  19  -3.374   3.589   3.985
  164    H    PHE  20           H        PHE  20  -0.276  -1.962   0.332
  165    HA   PHE  20           HA       PHE  20  -0.182  -3.597  -2.161
  166    HB2  PHE  20           HB2      PHE  20   1.873  -3.631  -0.809
  167    HB3  PHE  20           HB3      PHE  20   0.958  -4.165   0.595
  168    HD1  PHE  20           HD1      PHE  20   2.132  -5.130  -2.802
  169    HD2  PHE  20           HD2      PHE  20   0.429  -6.491   0.907
  170    HE1  PHE  20           HE1      PHE  20   2.458  -7.491  -3.522
  171    HE2  PHE  20           HE2      PHE  20   0.829  -8.858   0.215
  172    HZ   PHE  20           HZ       PHE  20   1.819  -9.351  -2.000
  173    H    ASN  21           H        ASN  21  -1.863  -4.882  -2.382
  174    HA   ASN  21           HA       ASN  21  -3.862  -5.064  -0.217
  175    HB2  ASN  21           HB2      ASN  21  -4.578  -4.561  -2.563
  176    HB3  ASN  21           HB3      ASN  21  -3.952  -6.139  -3.034
  177   HD21  ASN  21          HD22      ASN  21  -6.668  -4.437  -1.540
  178   HD22  ASN  21          HD21      ASN  21  -7.469  -5.937  -1.048
  179    H    HIS  22           H        HIS  22  -2.980  -6.436   1.357
  180    HA   HIS  22           HA       HIS  22  -1.403  -8.757   0.633
  181    HB2  HIS  22           HB2      HIS  22  -1.368  -9.211   3.052
  182    HB3  HIS  22           HB3      HIS  22  -0.904  -7.570   2.646
  183    HD2  HIS  22           HD2      HIS  22  -1.818  -5.860   4.275
  184    HE1  HIS  22           HE1      HIS  22  -5.436  -7.771   5.461
  185    HE2  HIS  22           HE2      HIS  22  -3.961  -5.706   5.794
  186    H    ILE  23           H        ILE  23  -4.660  -8.502   0.214
  187    HA   ILE  23           HA       ILE  23  -5.204 -11.344   0.954
  188    HB   ILE  23           HB       ILE  23  -6.821  -8.847   0.591
  189   HG12  ILE  23          HG12      ILE  23  -6.711 -11.123   2.631
  190   HG13  ILE  23          HG13      ILE  23  -6.024  -9.514   2.814
  191   HG21  ILE  23          HG21      ILE  23  -8.921  -9.977   0.529
  192   HG22  ILE  23          HG22      ILE  23  -7.986 -10.354  -0.906
  193   HG23  ILE  23          HG23      ILE  23  -8.112 -11.569   0.398
  194   HD11  ILE  23          HD11      ILE  23  -8.377  -8.584   2.777
  195   HD12  ILE  23          HD12      ILE  23  -8.969 -10.259   2.821
  196   HD13  ILE  23          HD13      ILE  23  -7.993  -9.629   4.155
  197    H    THR  24           H        THR  24  -4.900  -9.167  -1.754
  198    HA   THR  24           HA       THR  24  -5.388 -11.422  -3.683
  199    HB   THR  24           HB       THR  24  -5.597  -9.662  -5.394
  200    HG1  THR  24           HG1      THR  24  -5.446  -7.889  -3.204
  201   HG21  THR  24          HG21      THR  24  -7.674  -8.610  -4.678
  202   HG22  THR  24          HG22      THR  24  -7.661 -10.309  -4.157
  203   HG23  THR  24          HG23      THR  24  -7.353  -9.010  -2.981
  204    H    ASN  25           H        ASN  25  -2.889  -9.289  -2.536
  205    HA   ASN  25           HA       ASN  25  -0.689  -9.204  -2.791
  206    HB2  ASN  25           HB2      ASN  25  -0.776 -10.970  -5.259
  207    HB3  ASN  25           HB3      ASN  25   0.645 -10.441  -4.379
  208   HD21  ASN  25          HD22      ASN  25  -2.123 -12.585  -4.286
  209   HD22  ASN  25          HD21      ASN  25  -1.467 -13.613  -2.992
  210    H    ALA  26           H        ALA  26  -3.003  -7.722  -4.489
  211    HA   ALA  26           HA       ALA  26  -1.543  -6.533  -6.656
  212    HB1  ALA  26           HB1      ALA  26  -4.050  -6.549  -6.378
  213    HB2  ALA  26           HB2      ALA  26  -3.861  -5.325  -5.097
  214    HB3  ALA  26           HB3      ALA  26  -3.367  -4.954  -6.753
  215    H    SER  27           H        SER  27  -1.050  -4.105  -6.774
  216    HA   SER  27           HA       SER  27  -0.132  -2.854  -4.252
  217    HB2  SER  27           HB2      SER  27   1.974  -2.182  -5.357
  218    HB3  SER  27           HB3      SER  27   1.872  -3.880  -4.891
  219    HG   SER  27           HG       SER  27   1.478  -4.401  -7.042
  220    H    GLN  28           H        GLN  28  -0.004  -0.635  -4.374
  221    HA   GLN  28           HA       GLN  28  -0.396   0.787  -6.908
  222    HB2  GLN  28           HB2      GLN  28  -2.615   0.398  -5.072
  223    HB3  GLN  28           HB3      GLN  28  -2.125   2.067  -4.954
  224    HG2  GLN  28           HG2      GLN  28  -2.702   0.707  -7.620
  225    HG3  GLN  28           HG3      GLN  28  -3.926   1.511  -6.645
  226   HE21  GLN  28          HE22      GLN  28  -4.303   3.037  -8.485
  227   HE22  GLN  28          HE21      GLN  28  -3.124   4.327  -8.667
  228    H    PHE  29           H        PHE  29   0.339   3.015  -6.665
  229    HA   PHE  29           HA       PHE  29   2.011   3.471  -4.228
  230    HB2  PHE  29           HB2      PHE  29   2.078   4.757  -6.946
  231    HB3  PHE  29           HB3      PHE  29   2.842   5.457  -5.529
  232    HD1  PHE  29           HD2      PHE  29   2.911   1.679  -6.089
  233    HD2  PHE  29           HD1      PHE  29   5.101   5.427  -6.322
  234    HE1  PHE  29           HE2      PHE  29   4.882   0.498  -6.830
  235    HE2  PHE  29           HE1      PHE  29   7.116   4.172  -6.969
  236    HZ   PHE  29           HZ       PHE  29   7.018   1.710  -7.269
  237    H    GLU  30           H        GLU  30  -1.048   4.294  -5.699
  238    HA   GLU  30           HA       GLU  30  -1.456   6.570  -3.966
  239    HB2  GLU  30           HB2      GLU  30  -2.666   6.370  -6.068
  240    HB3  GLU  30           HB3      GLU  30  -3.546   4.964  -5.446
  241    HG2  GLU  30           HG2      GLU  30  -4.771   7.207  -5.333
  242    HG3  GLU  30           HG3      GLU  30  -4.675   6.317  -3.811
  243    H    ARG  31           H        ARG  31  -2.384   6.628  -2.013
  244    HA   ARG  31           HA       ARG  31  -1.932   4.140  -0.443
  245    HB2  ARG  31           HB2      ARG  31  -1.814   7.087   0.285
  246    HB3  ARG  31           HB3      ARG  31  -1.648   5.805   1.454
  247    HG2  ARG  31           HG2      ARG  31   0.511   5.514   0.999
  248    HG3  ARG  31           HG3      ARG  31   0.220   5.256  -0.709
  249    HD2  ARG  31           HD2      ARG  31   0.360   8.059   0.491
  250    HD3  ARG  31           HD3      ARG  31   1.805   7.149   0.067
  251    HE   ARG  31           HE       ARG  31   1.157   7.086  -2.243
  252   HH11  ARG  31          HH11      ARG  31  -1.252   8.900  -0.494
  253   HH12  ARG  31          HH12      ARG  31  -2.135   9.026  -1.994
  254   HH21  ARG  31          HH21      ARG  31   0.421   8.087  -4.017
  255   HH22  ARG  31          HH22      ARG  31  -1.125   8.928  -3.914
  256    HA   PRO  32           HA       PRO  32  -6.443   4.173   0.425
  257    HB2  PRO  32           HB2      PRO  32  -5.373   1.668   1.654
  258    HB3  PRO  32           HB3      PRO  32  -7.018   1.986   1.079
  259    HG2  PRO  32           HG2      PRO  32  -5.683   0.782  -0.610
  260    HG3  PRO  32           HG3      PRO  32  -6.347   2.156  -1.202
  261    HD2  PRO  32           HD2      PRO  32  -3.453   2.020  -0.405
  262    HD3  PRO  32           HD3      PRO  32  -4.237   2.927  -1.726
  263    H    SER  33           H        SER  33  -7.037   5.375   1.973
  264    HA   SER  33           HA       SER  33  -5.733   5.749   4.602
  265    HB2  SER  33           HB2      SER  33  -8.201   7.028   3.370
  266    HB3  SER  33           HB3      SER  33  -7.491   7.472   4.939
  267    HG   SER  33           HG       SER  33  -5.909   7.418   2.593
  268    H    GLY  34           H        GLY  34  -6.345   3.200   4.494
  269    HA2  GLY  34           HA2      GLY  34  -7.281   1.436   5.607
  270    HA3  GLY  34           HA3      GLY  34  -7.785   2.601   6.831
  271    H1   NAG 101           H1       NAG  35  11.548   1.659  -4.657
  272    H2   NAG 101           H2       NAG  35  12.441   2.480  -7.476
  273    H3   NAG 101           H3       NAG  35   9.633   1.876  -6.408
  274    H4   NAG 101           H4       NAG  35  11.364   0.338  -8.420
  275    H5   NAG 101           H5       NAG  35  10.489  -0.351  -5.595
  276    H61  NAG 101           H61      NAG  35  10.637  -2.491  -6.635
  277    H62  NAG 101           H62      NAG  35  11.984  -1.974  -7.674
  278    H81  NAG 101           H2M      NAG  35  12.084   6.482  -5.889
  279    H82  NAG 101           H3M      NAG  35  10.310   6.343  -5.899
  280    H83  NAG 101           H1M      NAG  35  11.157   7.027  -7.305
  281    HN2  NAG 101           H2N      NAG  35  11.437   4.075  -5.268
  282    HO3  NAG 101           H3O      NAG  35  10.362   3.377  -8.467
  283    HO4  NAG 101           H4O      NAG  35   9.005   0.509  -8.536
  284    HO6  NAG 101           H6O      NAG  35  12.983  -1.445  -5.545
  Start of MODEL   12
    1    H1   LYS   1           H1       LYS   1  -9.876   6.668   1.079
    2    H2   LYS   1           H2       LYS   1  -9.928   5.174   1.696
    3    H3   LYS   1           H3       LYS   1 -11.267   5.751   0.967
    4    HA   LYS   1           HA       LYS   1 -10.463   5.602  -1.144
    5    HB2  LYS   1           HB2      LYS   1  -7.804   5.888   0.164
    6    HB3  LYS   1           HB3      LYS   1  -7.834   5.026  -1.370
    7    HG2  LYS   1           HG2      LYS   1  -9.028   6.757  -2.498
    8    HG3  LYS   1           HG3      LYS   1  -9.279   7.673  -1.019
    9    HD2  LYS   1           HD2      LYS   1  -6.498   7.146  -2.157
   10    HD3  LYS   1           HD3      LYS   1  -7.509   8.511  -2.637
   11    HE2  LYS   1           HE2      LYS   1  -6.580   9.638  -0.935
   12    HE3  LYS   1           HE3      LYS   1  -7.716   8.735   0.073
   13    HZ1  LYS   1           HZ1      LYS   1  -5.747   8.340   1.092
   14    HZ2  LYS   1           HZ2      LYS   1  -5.834   7.016   0.195
   15    HZ3  LYS   1           HZ3      LYS   1  -4.847   8.187  -0.378
   16    H    LEU   2           H        LEU   2  -8.295   3.268  -1.441
   17    HA   LEU   2           HA       LEU   2 -10.318   1.461  -1.910
   18    HB2  LEU   2           HB2      LEU   2  -7.570   0.364  -1.811
   19    HB3  LEU   2           HB3      LEU   2  -8.794   0.005  -2.840
   20    HG   LEU   2           HG       LEU   2  -6.966   1.043  -3.994
   21   HD11  LEU   2          HD11      LEU   2  -8.529   2.051  -5.610
   22   HD12  LEU   2          HD12      LEU   2  -9.151   0.544  -4.923
   23   HD13  LEU   2          HD13      LEU   2  -9.790   2.101  -4.350
   24   HD21  LEU   2          HD21      LEU   2  -6.592   3.169  -2.694
   25   HD22  LEU   2          HD22      LEU   2  -6.905   3.385  -4.422
   26   HD23  LEU   2          HD23      LEU   2  -8.188   3.725  -3.290
   27    HA   PRO   3           HA       PRO   3 -11.402  -1.146   1.240
   28    HB2  PRO   3           HB2      PRO   3 -10.194  -3.452  -0.313
   29    HB3  PRO   3           HB3      PRO   3 -11.838  -3.391   0.430
   30    HG2  PRO   3           HG2      PRO   3 -11.608  -2.974  -2.179
   31    HG3  PRO   3           HG3      PRO   3 -12.518  -1.730  -1.234
   32    HD2  PRO   3           HD2      PRO   3  -9.556  -1.723  -1.979
   33    HD3  PRO   3           HD3      PRO   3 -10.763  -0.459  -2.298
   34    HA   PRO   4           HA       PRO   4  -8.681  -3.127   4.292
   35    HB2  PRO   4           HB2      PRO   4 -10.854  -5.240   4.307
   36    HB3  PRO   4           HB3      PRO   4 -10.028  -4.471   5.701
   37    HG2  PRO   4           HG2      PRO   4 -12.510  -3.661   4.986
   38    HG3  PRO   4           HG3      PRO   4 -11.260  -2.441   5.400
   39    HD2  PRO   4           HD2      PRO   4 -12.174  -3.347   2.666
   40    HD3  PRO   4           HD3      PRO   4 -11.853  -1.689   3.264
   41    H    GLY   5           H        GLY   5  -7.072  -4.709   4.105
   42    HA2  GLY   5           HA2      GLY   5  -6.227  -6.857   3.050
   43    HA3  GLY   5           HA3      GLY   5  -7.129  -6.386   1.621
   44    H    TRP   6           H        TRP   6  -6.636  -3.531   1.375
   45    HA   TRP   6           HA       TRP   6  -3.853  -3.429   0.534
   46    HB2  TRP   6           HB2      TRP   6  -5.971  -1.414   1.028
   47    HB3  TRP   6           HB3      TRP   6  -4.463  -1.032   0.252
   48    HD1  TRP   6           HD1      TRP   6  -7.849  -1.995  -0.703
   49    HE1  TRP   6           HE1      TRP   6  -7.945  -1.945  -3.182
   50    HE3  TRP   6           HE3      TRP   6  -2.867  -1.970  -1.636
   51    HZ2  TRP   6           HZ2      TRP   6  -6.069  -2.174  -5.452
   52    HZ3  TRP   6           HZ3      TRP   6  -2.046  -1.874  -3.918
   53    HH2  TRP   6           HH2      TRP   6  -3.613  -2.019  -5.875
   54    H    GLU   7           H        GLU   7  -2.160  -3.032   1.726
   55    HA   GLU   7           HA       GLU   7  -2.319  -1.327   4.153
   56    HB2  GLU   7           HB2      GLU   7  -2.745  -3.703   4.805
   57    HB3  GLU   7           HB3      GLU   7  -1.145  -4.138   4.252
   58    HG2  GLU   7           HG2      GLU   7  -1.665  -2.010   6.379
   59    HG3  GLU   7           HG3      GLU   7  -1.579  -3.722   6.771
   60    H    LYS   8           H        LYS   8  -0.319  -0.450   4.822
   61    HA   LYS   8           HA       LYS   8   1.323   0.579   2.823
   62    HB2  LYS   8           HB2      LYS   8   0.990   1.721   4.858
   63    HB3  LYS   8           HB3      LYS   8   1.437   0.359   5.826
   64    HG2  LYS   8           HG2      LYS   8   3.819   1.097   4.328
   65    HG3  LYS   8           HG3      LYS   8   3.027   2.562   4.845
   66    HD2  LYS   8           HD2      LYS   8   4.431   2.079   6.625
   67    HD3  LYS   8           HD3      LYS   8   2.847   1.616   7.202
   68    HE2  LYS   8           HE2      LYS   8   5.110  -0.219   6.299
   69    HE3  LYS   8           HE3      LYS   8   4.577   0.084   7.949
   70    HZ1  LYS   8           HZ1      LYS   8   3.158  -1.495   5.884
   71    HZ2  LYS   8           HZ2      LYS   8   3.657  -1.982   7.358
   72    HZ3  LYS   8           HZ3      LYS   8   2.344  -1.030   7.160
   73    H    ARG   9           H        ARG   9   3.230   0.104   1.923
   74    HA   ARG   9           HA       ARG   9   4.804  -2.237   2.877
   75    HB2  ARG   9           HB2      ARG   9   3.004  -2.612   0.965
   76    HB3  ARG   9           HB3      ARG   9   4.144  -1.782  -0.048
   77    HG2  ARG   9           HG2      ARG   9   4.409  -4.144  -0.318
   78    HG3  ARG   9           HG3      ARG   9   5.854  -3.552   0.478
   79    HD2  ARG   9           HD2      ARG   9   5.069  -5.707   1.441
   80    HD3  ARG   9           HD3      ARG   9   5.104  -4.416   2.644
   81    HE   ARG   9           HE       ARG   9   2.586  -5.180   1.221
   82   HH11  ARG   9          HH11      ARG   9   4.070  -4.969   4.461
   83   HH12  ARG   9          HH12      ARG   9   2.476  -4.469   5.096
   84   HH21  ARG   9          HH21      ARG   9   0.689  -4.374   2.378
   85   HH22  ARG   9          HH22      ARG   9   0.891  -4.393   4.126
   86    H    MET  10           H        MET  10   7.076  -2.167   2.160
   87    HA   MET  10           HA       MET  10   7.969   0.549   1.330
   88    HB2  MET  10           HB2      MET  10   7.886   0.280   3.839
   89    HB3  MET  10           HB3      MET  10   9.071  -1.015   3.681
   90    HG2  MET  10           HG2      MET  10  10.456   0.862   2.367
   91    HG3  MET  10           HG3      MET  10   9.367   1.948   3.208
   92    HE1  MET  10           HE1      MET  10  12.100   2.745   3.871
   93    HE2  MET  10           HE2      MET  10  10.694   3.255   4.825
   94    HE3  MET  10           HE3      MET  10  12.158   2.669   5.643
   95    H    PHE  11           H        PHE  11   9.564   0.582  -0.111
   96    HA   PHE  11           HA       PHE  11  10.319  -1.881  -1.359
   97    HB2  PHE  11           HB2      PHE  11  10.748   1.046  -1.853
   98    HB3  PHE  11           HB3      PHE  11  11.495  -0.163  -2.865
   99    HD1  PHE  11           HD2      PHE  11   9.901  -2.109  -3.736
  100    HD2  PHE  11           HD1      PHE  11   8.498   1.793  -2.495
  101    HE1  PHE  11           HE2      PHE  11   8.016  -2.271  -5.325
  102    HE2  PHE  11           HE1      PHE  11   6.722   1.671  -4.196
  103    HZ   PHE  11           HZ       PHE  11   6.445  -0.390  -5.576
  104    H    ARG  12           H        ARG  12  11.955  -3.097  -1.068
  105    HA   ARG  12           HA       ARG  12  14.321  -2.522   0.423
  106    HB2  ARG  12           HB2      ARG  12  13.927  -4.571  -1.800
  107    HB3  ARG  12           HB3      ARG  12  15.196  -4.575  -0.584
  108    HG2  ARG  12           HG2      ARG  12  12.240  -5.155  -0.172
  109    HG3  ARG  12           HG3      ARG  12  13.609  -6.241  -0.006
  110    HD2  ARG  12           HD2      ARG  12  13.124  -5.812   2.201
  111    HD3  ARG  12           HD3      ARG  12  14.404  -4.630   1.892
  112    HE   ARG  12           HE       ARG  12  11.578  -3.767   1.519
  113   HH11  ARG  12          HH11      ARG  12  14.295  -3.631   3.739
  114   HH12  ARG  12          HH12      ARG  12  13.634  -2.252   4.581
  115   HH21  ARG  12          HH21      ARG  12  10.802  -2.119   2.569
  116   HH22  ARG  12          HH22      ARG  12  11.660  -1.352   3.899
  117    H    SER  13           H        SER  13  16.426  -2.251  -0.306
  118    HA   SER  13           HA       SER  13  18.077  -1.186  -1.312
  119    HB2  SER  13           HB2      SER  13  16.634  -1.658  -3.931
  120    HB3  SER  13           HB3      SER  13  18.350  -1.281  -3.702
  121    HG   SER  13           HG       SER  13  17.976  -3.534  -3.912
  122    H    ASN  14           H        ASN  14  15.031   0.473  -1.270
  123    HA   ASN  14           HA       ASN  14  16.759   2.861  -1.402
  124    HB2  ASN  14           HB2      ASN  14  15.475   4.121  -2.992
  125    HB3  ASN  14           HB3      ASN  14  16.041   2.632  -3.732
  126   HD21  ASN  14          HD21      ASN  14  14.439   2.482  -5.341
  127    H    GLY  15           H        GLY  15  13.716   1.482  -0.198
  128    HA2  GLY  15           HA2      GLY  15  12.873   2.058   1.890
  129    HA3  GLY  15           HA3      GLY  15  13.771   3.580   1.887
  130    H    THR  16           H        THR  16  12.169   3.186  -1.067
  131    HA   THR  16           HA       THR  16  10.156   5.198  -0.764
  132    HB   THR  16           HB       THR  16  10.293   2.852  -2.692
  133    HG1  THR  16           HG1      THR  16  12.051   3.941  -2.907
  134   HG21  THR  16          HG21      THR  16   9.038   4.115  -4.280
  135   HG22  THR  16          HG22      THR  16   8.053   3.879  -2.852
  136   HG23  THR  16          HG23      THR  16   8.822   5.463  -3.130
  137    H    VAL  17           H        VAL  17   7.731   4.721  -0.928
  138    HA   VAL  17           HA       VAL  17   6.886   2.414   0.701
  139    HB   VAL  17           HB       VAL  17   6.489   5.313   1.465
  140   HG11  VAL  17          HG11      VAL  17   4.838   4.593   3.175
  141   HG12  VAL  17          HG12      VAL  17   4.208   4.423   1.540
  142   HG13  VAL  17          HG13      VAL  17   4.771   2.984   2.428
  143   HG21  VAL  17          HG21      VAL  17   7.156   4.458   3.686
  144   HG22  VAL  17          HG22      VAL  17   7.183   2.798   3.048
  145   HG23  VAL  17          HG23      VAL  17   8.368   4.005   2.480
  146    H    TYR  18           H        TYR  18   4.756   1.837   0.404
  147    HA   TYR  18           HA       TYR  18   3.028   3.174  -1.509
  148    HB2  TYR  18           HB2      TYR  18   3.040   1.490  -3.201
  149    HB3  TYR  18           HB3      TYR  18   4.654   2.109  -3.026
  150    HD1  TYR  18           HD1      TYR  18   6.196   0.602  -1.277
  151    HD2  TYR  18           HD2      TYR  18   2.843  -0.754  -3.636
  152    HE1  TYR  18           HE1      TYR  18   7.161  -1.647  -1.321
  153    HE2  TYR  18           HE2      TYR  18   3.828  -3.061  -3.642
  154    HH   TYR  18           HH       TYR  18   7.037  -3.735  -2.368
  155    H    TYR  19           H        TYR  19   1.253   1.016  -2.070
  156    HA   TYR  19           HA       TYR  19   0.748  -0.257   0.542
  157    HB2  TYR  19           HB2      TYR  19  -1.042   1.568  -0.990
  158    HB3  TYR  19           HB3      TYR  19  -1.750   0.036  -0.526
  159    HD1  TYR  19           HD2      TYR  19   0.432   2.643   1.092
  160    HD2  TYR  19           HD1      TYR  19  -2.942   0.013   1.474
  161    HE1  TYR  19           HE2      TYR  19   0.020   3.469   3.428
  162    HE2  TYR  19           HE1      TYR  19  -3.438   0.918   3.715
  163    HH   TYR  19           HH       TYR  19  -2.847   2.524   5.288
  164    H    PHE  20           H        PHE  20  -0.112  -2.223   0.421
  165    HA   PHE  20           HA       PHE  20  -0.081  -3.666  -2.186
  166    HB2  PHE  20           HB2      PHE  20   2.083  -3.760  -1.009
  167    HB3  PHE  20           HB3      PHE  20   1.271  -4.305   0.441
  168    HD1  PHE  20           HD1      PHE  20   2.377  -5.288  -2.942
  169    HD2  PHE  20           HD2      PHE  20   0.494  -6.637   0.698
  170    HE1  PHE  20           HE1      PHE  20   2.569  -7.642  -3.710
  171    HE2  PHE  20           HE2      PHE  20   0.792  -8.990  -0.037
  172    HZ   PHE  20           HZ       PHE  20   1.795  -9.492  -2.242
  173    H    ASN  21           H        ASN  21  -1.829  -4.880  -2.389
  174    HA   ASN  21           HA       ASN  21  -3.660  -5.264  -0.136
  175    HB2  ASN  21           HB2      ASN  21  -4.358  -4.730  -2.525
  176    HB3  ASN  21           HB3      ASN  21  -3.916  -6.386  -2.911
  177   HD21  ASN  21          HD22      ASN  21  -6.558  -4.457  -2.002
  178   HD22  ASN  21          HD21      ASN  21  -7.464  -5.742  -1.217
  179    H    HIS  22           H        HIS  22  -2.864  -6.660   1.408
  180    HA   HIS  22           HA       HIS  22  -1.267  -8.971   0.615
  181    HB2  HIS  22           HB2      HIS  22  -1.182  -9.532   2.942
  182    HB3  HIS  22           HB3      HIS  22  -0.870  -7.819   2.732
  183    HD2  HIS  22           HD2      HIS  22  -2.381  -6.146   4.060
  184    HE1  HIS  22           HE1      HIS  22  -5.104  -8.960   5.743
  185    HE2  HIS  22           HE2      HIS  22  -4.330  -6.522   5.787
  186    H    ILE  23           H        ILE  23  -4.588  -8.472   0.462
  187    HA   ILE  23           HA       ILE  23  -5.297 -11.321   0.823
  188    HB   ILE  23           HB       ILE  23  -6.820  -8.712   0.618
  189   HG12  ILE  23          HG12      ILE  23  -6.612 -10.903   2.722
  190   HG13  ILE  23          HG13      ILE  23  -5.879  -9.302   2.781
  191   HG21  ILE  23          HG21      ILE  23  -8.110 -11.447   0.583
  192   HG22  ILE  23          HG22      ILE  23  -8.923  -9.860   0.722
  193   HG23  ILE  23          HG23      ILE  23  -8.085 -10.278  -0.764
  194   HD11  ILE  23          HD11      ILE  23  -8.223  -8.315   2.780
  195   HD12  ILE  23          HD12      ILE  23  -8.826  -9.972   3.023
  196   HD13  ILE  23          HD13      ILE  23  -7.756  -9.236   4.224
  197    H    THR  24           H        THR  24  -5.009  -8.889  -1.786
  198    HA   THR  24           HA       THR  24  -5.601 -11.062  -3.780
  199    HB   THR  24           HB       THR  24  -6.095  -9.370  -5.351
  200    HG1  THR  24           HG1      THR  24  -6.035  -7.182  -4.768
  201   HG21  THR  24          HG21      THR  24  -7.439  -8.495  -2.761
  202   HG22  THR  24          HG22      THR  24  -8.053  -8.281  -4.415
  203   HG23  THR  24          HG23      THR  24  -7.926  -9.909  -3.722
  204    H    ASN  25           H        ASN  25  -3.034  -9.270  -2.621
  205    HA   ASN  25           HA       ASN  25  -0.879  -9.007  -3.065
  206    HB2  ASN  25           HB2      ASN  25  -1.123 -10.928  -5.387
  207    HB3  ASN  25           HB3      ASN  25   0.360 -10.414  -4.581
  208   HD21  ASN  25          HD22      ASN  25  -0.409 -10.655  -1.792
  209   HD22  ASN  25          HD21      ASN  25  -0.737 -12.366  -1.574
  210    H    ALA  26           H        ALA  26  -3.166  -7.535  -4.714
  211    HA   ALA  26           HA       ALA  26  -1.718  -6.244  -6.834
  212    HB1  ALA  26           HB1      ALA  26  -4.184  -6.143  -6.513
  213    HB2  ALA  26           HB2      ALA  26  -3.938  -5.151  -5.053
  214    HB3  ALA  26           HB3      ALA  26  -3.460  -4.530  -6.644
  215    H    SER  27           H        SER  27  -0.912  -3.936  -6.838
  216    HA   SER  27           HA       SER  27  -0.050  -2.793  -4.259
  217    HB2  SER  27           HB2      SER  27   2.225  -2.339  -5.346
  218    HB3  SER  27           HB3      SER  27   1.916  -3.892  -4.576
  219    HG   SER  27           HG       SER  27   1.530  -4.765  -6.642
  220    H    GLN  28           H        GLN  28   0.187  -0.655  -4.253
  221    HA   GLN  28           HA       GLN  28  -0.191   0.991  -6.686
  222    HB2  GLN  28           HB2      GLN  28  -2.442   0.104  -5.934
  223    HB3  GLN  28           HB3      GLN  28  -2.162   0.845  -4.356
  224    HG2  GLN  28           HG2      GLN  28  -2.041   3.087  -5.581
  225    HG3  GLN  28           HG3      GLN  28  -2.547   2.229  -7.045
  226   HE21  GLN  28          HE22      GLN  28  -3.494   2.966  -3.613
  227   HE22  GLN  28          HE21      GLN  28  -5.217   2.755  -3.991
  228    H    PHE  29           H        PHE  29   0.747   3.097  -6.306
  229    HA   PHE  29           HA       PHE  29   2.070   3.446  -3.710
  230    HB2  PHE  29           HB2      PHE  29   2.150   5.054  -6.253
  231    HB3  PHE  29           HB3      PHE  29   2.976   5.507  -4.774
  232    HD1  PHE  29           HD1      PHE  29   2.975   1.813  -5.650
  233    HD2  PHE  29           HD2      PHE  29   5.117   5.589  -5.885
  234    HE1  PHE  29           HE1      PHE  29   4.866   0.694  -6.640
  235    HE2  PHE  29           HE2      PHE  29   7.077   4.382  -6.768
  236    HZ   PHE  29           HZ       PHE  29   6.956   1.938  -7.193
  237    H    GLU  30           H        GLU  30  -0.944   4.486  -5.057
  238    HA   GLU  30           HA       GLU  30  -1.280   6.607  -3.082
  239    HB2  GLU  30           HB2      GLU  30  -2.307   6.888  -5.252
  240    HB3  GLU  30           HB3      GLU  30  -3.303   5.454  -4.995
  241    HG2  GLU  30           HG2      GLU  30  -4.412   7.732  -4.578
  242    HG3  GLU  30           HG3      GLU  30  -4.578   6.517  -3.313
  243    H    ARG  31           H        ARG  31  -2.675   6.488  -1.264
  244    HA   ARG  31           HA       ARG  31  -2.345   3.882   0.080
  245    HB2  ARG  31           HB2      ARG  31  -2.638   6.763   0.992
  246    HB3  ARG  31           HB3      ARG  31  -2.781   5.406   2.098
  247    HG2  ARG  31           HG2      ARG  31  -0.636   5.296   2.367
  248    HG3  ARG  31           HG3      ARG  31  -0.362   4.922   0.670
  249    HD2  ARG  31           HD2      ARG  31  -0.574   7.777   1.716
  250    HD3  ARG  31           HD3      ARG  31   0.911   6.847   1.839
  251    HE   ARG  31           HE       ARG  31   1.101   6.715  -0.553
  252   HH11  ARG  31          HH11      ARG  31  -1.539   8.888   0.356
  253   HH12  ARG  31          HH12      ARG  31  -1.803   9.199  -1.353
  254   HH21  ARG  31          HH21      ARG  31   0.739   7.461  -2.565
  255   HH22  ARG  31          HH22      ARG  31  -0.541   8.679  -2.783
  256    HA   PRO  32           HA       PRO  32  -6.882   3.128   0.129
  257    HB2  PRO  32           HB2      PRO  32  -5.349   0.833   1.377
  258    HB3  PRO  32           HB3      PRO  32  -7.014   0.780   0.715
  259    HG2  PRO  32           HG2      PRO  32  -5.406   0.273  -1.182
  260    HG3  PRO  32           HG3      PRO  32  -6.205   1.741  -1.385
  261    HD2  PRO  32           HD2      PRO  32  -3.455   1.659  -0.202
  262    HD3  PRO  32           HD3      PRO  32  -4.096   2.607  -1.574
  263    H    SER  33           H        SER  33  -8.236   2.201   2.059
  264    HA   SER  33           HA       SER  33  -9.268   2.617   3.949
  265    HB2  SER  33           HB2      SER  33  -8.188   2.967   6.063
  266    HB3  SER  33           HB3      SER  33  -7.388   1.684   5.147
  267    HG   SER  33           HG       SER  33  -5.934   3.511   4.432
  268    H    GLY  34           H        GLY  34  -6.915   5.273   4.336
  269    HA2  GLY  34           HA2      GLY  34  -9.124   7.269   4.288
  270    HA3  GLY  34           HA3      GLY  34  -7.461   7.536   4.826
  271    H1   NAG 101           H1       NAG  35  11.754   1.756  -4.256
  272    H2   NAG 101           H2       NAG  35  12.544   2.444  -7.124
  273    H3   NAG 101           H3       NAG  35   9.903   1.277  -6.089
  274    H4   NAG 101           H4       NAG  35  12.095  -0.057  -7.786
  275    H5   NAG 101           H5       NAG  35  11.130  -0.497  -4.957
  276    H61  NAG 101           H61      NAG  35  11.837  -2.664  -6.191
  277    H62  NAG 101           H62      NAG  35  13.480  -2.014  -6.104
  278    H81  NAG 101           H2M      NAG  35   9.334   5.841  -6.110
  279    H82  NAG 101           H3M      NAG  35  10.454   6.613  -7.252
  280    H83  NAG 101           H1M      NAG  35  11.005   6.202  -5.615
  281    HN2  NAG 101           H2N      NAG  35  11.234   3.931  -5.046
  282    HO3  NAG 101           H3O      NAG  35  10.324   2.690  -8.227
  283    HO4  NAG 101           H4O      NAG  35   9.734  -0.382  -8.024
  284    HO6  NAG 101           H6O      NAG  35  13.319  -1.986  -3.801
  Start of MODEL   13
    1    H1   LYS   1           H1       LYS   1 -11.607   3.569   1.851
    2    H2   LYS   1           H2       LYS   1 -10.967   5.088   1.944
    3    H3   LYS   1           H3       LYS   1  -9.976   3.793   1.775
    4    HA   LYS   1           HA       LYS   1 -11.922   4.766  -0.190
    5    HB2  LYS   1           HB2      LYS   1  -8.903   4.722  -0.557
    6    HB3  LYS   1           HB3      LYS   1 -10.144   5.363  -1.635
    7    HG2  LYS   1           HG2      LYS   1 -10.705   6.903   0.463
    8    HG3  LYS   1           HG3      LYS   1  -9.055   6.487   0.941
    9    HD2  LYS   1           HD2      LYS   1  -9.984   7.861  -1.609
   10    HD3  LYS   1           HD3      LYS   1  -9.102   8.606  -0.287
   11    HE2  LYS   1           HE2      LYS   1  -7.956   6.434  -2.120
   12    HE3  LYS   1           HE3      LYS   1  -7.775   8.173  -2.354
   13    HZ1  LYS   1           HZ1      LYS   1  -5.888   7.780  -1.195
   14    HZ2  LYS   1           HZ2      LYS   1  -6.870   8.049   0.097
   15    HZ3  LYS   1           HZ3      LYS   1  -6.464   6.528  -0.308
   16    H    LEU   2           H        LEU   2  -9.008   2.763  -0.885
   17    HA   LEU   2           HA       LEU   2 -10.712   0.886  -2.229
   18    HB2  LEU   2           HB2      LEU   2  -7.832   0.357  -1.891
   19    HB3  LEU   2           HB3      LEU   2  -8.860  -0.204  -3.061
   20    HG   LEU   2           HG       LEU   2  -9.257   1.721  -4.271
   21   HD11  LEU   2          HD11      LEU   2  -7.612   3.628  -4.138
   22   HD12  LEU   2          HD12      LEU   2  -8.911   3.628  -2.961
   23   HD13  LEU   2          HD13      LEU   2  -7.282   3.122  -2.471
   24   HD21  LEU   2          HD21      LEU   2  -6.317   1.000  -3.960
   25   HD22  LEU   2          HD22      LEU   2  -7.532   0.103  -4.890
   26   HD23  LEU   2          HD23      LEU   2  -7.092   1.725  -5.387
   27    HA   PRO   3           HA       PRO   3 -11.830  -2.172   0.415
   28    HB2  PRO   3           HB2      PRO   3 -10.015  -4.140  -1.015
   29    HB3  PRO   3           HB3      PRO   3 -11.752  -4.370  -0.599
   30    HG2  PRO   3           HG2      PRO   3 -11.115  -3.700  -3.095
   31    HG3  PRO   3           HG3      PRO   3 -12.377  -2.697  -2.276
   32    HD2  PRO   3           HD2      PRO   3  -9.374  -2.188  -2.409
   33    HD3  PRO   3           HD3      PRO   3 -10.649  -1.070  -2.912
   34    HA   PRO   4           HA       PRO   4  -9.212  -3.665   3.778
   35    HB2  PRO   4           HB2      PRO   4 -10.578  -5.975   4.476
   36    HB3  PRO   4           HB3      PRO   4 -11.064  -4.325   4.976
   37    HG2  PRO   4           HG2      PRO   4 -12.107  -5.954   2.647
   38    HG3  PRO   4           HG3      PRO   4 -13.045  -5.017   3.856
   39    HD2  PRO   4           HD2      PRO   4 -12.523  -4.001   1.429
   40    HD3  PRO   4           HD3      PRO   4 -12.414  -2.952   2.867
   41    H    GLY   5           H        GLY   5  -7.464  -5.042   3.805
   42    HA2  GLY   5           HA2      GLY   5  -6.291  -7.093   2.895
   43    HA3  GLY   5           HA3      GLY   5  -7.092  -6.745   1.378
   44    H    TRP   6           H        TRP   6  -6.787  -3.684   1.222
   45    HA   TRP   6           HA       TRP   6  -3.965  -3.615   0.605
   46    HB2  TRP   6           HB2      TRP   6  -5.977  -1.437   1.015
   47    HB3  TRP   6           HB3      TRP   6  -4.361  -1.239   0.396
   48    HD1  TRP   6           HD1      TRP   6  -7.745  -1.759  -0.825
   49    HE1  TRP   6           HE1      TRP   6  -7.688  -1.900  -3.362
   50    HE3  TRP   6           HE3      TRP   6  -2.766  -2.139  -1.440
   51    HZ2  TRP   6           HZ2      TRP   6  -5.713  -2.230  -5.454
   52    HZ3  TRP   6           HZ3      TRP   6  -1.795  -2.090  -3.661
   53    HH2  TRP   6           HH2      TRP   6  -3.230  -2.191  -5.721
   54    H    GLU   7           H        GLU   7  -2.249  -3.067   1.748
   55    HA   GLU   7           HA       GLU   7  -2.482  -1.511   4.251
   56    HB2  GLU   7           HB2      GLU   7  -2.827  -3.951   4.770
   57    HB3  GLU   7           HB3      GLU   7  -1.207  -4.283   4.207
   58    HG2  GLU   7           HG2      GLU   7  -1.873  -2.350   6.471
   59    HG3  GLU   7           HG3      GLU   7  -1.634  -4.075   6.726
   60    H    LYS   8           H        LYS   8  -0.400  -0.678   4.978
   61    HA   LYS   8           HA       LYS   8   1.106   0.485   2.885
   62    HB2  LYS   8           HB2      LYS   8   0.749   1.667   4.857
   63    HB3  LYS   8           HB3      LYS   8   1.260   0.385   5.908
   64    HG2  LYS   8           HG2      LYS   8   3.169   1.881   4.065
   65    HG3  LYS   8           HG3      LYS   8   2.736   2.443   5.673
   66    HD2  LYS   8           HD2      LYS   8   4.407   0.009   4.984
   67    HD3  LYS   8           HD3      LYS   8   4.834   1.448   5.857
   68    HE2  LYS   8           HE2      LYS   8   4.699  -0.085   7.538
   69    HE3  LYS   8           HE3      LYS   8   3.133   0.715   7.672
   70    HZ1  LYS   8           HZ1      LYS   8   2.054  -1.235   6.912
   71    HZ2  LYS   8           HZ2      LYS   8   3.269  -1.703   6.001
   72    HZ3  LYS   8           HZ3      LYS   8   3.337  -1.906   7.652
   73    H    ARG   9           H        ARG   9   3.066   0.109   1.976
   74    HA   ARG   9           HA       ARG   9   4.682  -2.214   2.893
   75    HB2  ARG   9           HB2      ARG   9   2.868  -2.618   0.998
   76    HB3  ARG   9           HB3      ARG   9   3.989  -1.767  -0.026
   77    HG2  ARG   9           HG2      ARG   9   4.284  -4.138  -0.292
   78    HG3  ARG   9           HG3      ARG   9   5.729  -3.506   0.465
   79    HD2  ARG   9           HD2      ARG   9   5.029  -5.667   1.454
   80    HD3  ARG   9           HD3      ARG   9   5.037  -4.374   2.655
   81    HE   ARG   9           HE       ARG   9   2.533  -5.215   1.254
   82   HH11  ARG   9          HH11      ARG   9   4.027  -4.999   4.485
   83   HH12  ARG   9          HH12      ARG   9   2.427  -4.530   5.134
   84   HH21  ARG   9          HH21      ARG   9   0.622  -4.477   2.410
   85   HH22  ARG   9          HH22      ARG   9   0.834  -4.463   4.163
   86    H    MET  10           H        MET  10   6.921  -2.181   1.999
   87    HA   MET  10           HA       MET  10   7.812   0.541   1.223
   88    HB2  MET  10           HB2      MET  10   7.863   0.090   3.749
   89    HB3  MET  10           HB3      MET  10   9.132  -1.094   3.406
   90    HG2  MET  10           HG2      MET  10  10.435   0.788   2.293
   91    HG3  MET  10           HG3      MET  10   9.183   1.894   2.804
   92    HE1  MET  10           HE1      MET  10  10.410   3.528   4.200
   93    HE2  MET  10           HE2      MET  10  11.641   3.132   5.423
   94    HE3  MET  10           HE3      MET  10  11.956   2.802   3.710
   95    H    PHE  11           H        PHE  11   9.521   0.636  -0.158
   96    HA   PHE  11           HA       PHE  11  10.310  -1.848  -1.468
   97    HB2  PHE  11           HB2      PHE  11  10.729   1.091  -1.972
   98    HB3  PHE  11           HB3      PHE  11  11.455  -0.160  -2.983
   99    HD1  PHE  11           HD2      PHE  11   9.798  -2.011  -3.893
  100    HD2  PHE  11           HD1      PHE  11   8.580   1.907  -2.542
  101    HE1  PHE  11           HE2      PHE  11   7.796  -2.117  -5.361
  102    HE2  PHE  11           HE1      PHE  11   6.673   1.851  -4.126
  103    HZ   PHE  11           HZ       PHE  11   6.269  -0.173  -5.493
  104    H    ARG  12           H        ARG  12  11.771  -3.013  -0.391
  105    HA   ARG  12           HA       ARG  12  14.130  -2.118   0.920
  106    HB2  ARG  12           HB2      ARG  12  13.149  -4.409   1.024
  107    HB3  ARG  12           HB3      ARG  12  13.622  -4.685  -0.658
  108    HG2  ARG  12           HG2      ARG  12  16.005  -4.445  -0.043
  109    HG3  ARG  12           HG3      ARG  12  15.561  -4.110   1.637
  110    HD2  ARG  12           HD2      ARG  12  14.902  -6.680   0.134
  111    HD3  ARG  12           HD3      ARG  12  16.310  -6.471   1.190
  112    HE   ARG  12           HE       ARG  12  14.209  -5.758   2.812
  113   HH11  ARG  12          HH11      ARG  12  14.892  -8.676   1.010
  114   HH12  ARG  12          HH12      ARG  12  14.028  -9.705   2.121
  115   HH21  ARG  12          HH22      ARG  12  13.135  -7.113   4.245
  116   HH22  ARG  12          HH21      ARG  12  13.068  -8.817   3.923
  117    H    SER  13           H        SER  13  16.053  -1.467   0.190
  118    HA   SER  13           HA       SER  13  17.855  -1.047  -1.083
  119    HB2  SER  13           HB2      SER  13  17.292  -2.915  -2.658
  120    HB3  SER  13           HB3      SER  13  16.407  -1.730  -3.650
  121    HG   SER  13           HG       SER  13  18.428  -0.455  -3.458
  122    H    ASN  14           H        ASN  14  14.836   0.590  -1.381
  123    HA   ASN  14           HA       ASN  14  16.486   3.002  -1.817
  124    HB2  ASN  14           HB2      ASN  14  15.106   4.030  -3.449
  125    HB3  ASN  14           HB3      ASN  14  15.591   2.453  -4.058
  126   HD21  ASN  14          HD21      ASN  14  13.645   3.406  -5.461
  127    H    GLY  15           H        GLY  15  13.732   1.532  -0.229
  128    HA2  GLY  15           HA2      GLY  15  12.857   2.158   1.775
  129    HA3  GLY  15           HA3      GLY  15  13.776   3.668   1.767
  130    H    THR  16           H        THR  16  11.989   3.113  -1.145
  131    HA   THR  16           HA       THR  16  10.081   5.267  -0.600
  132    HB   THR  16           HB       THR  16  10.362   3.225  -2.825
  133    HG1  THR  16           HG1      THR  16  11.898   4.941  -2.416
  134   HG21  THR  16          HG21      THR  16   8.483   5.619  -2.721
  135   HG22  THR  16          HG22      THR  16   8.921   4.729  -4.188
  136   HG23  THR  16          HG23      THR  16   8.013   3.908  -2.916
  137    H    VAL  17           H        VAL  17   7.653   4.751  -0.922
  138    HA   VAL  17           HA       VAL  17   6.834   2.410   0.676
  139    HB   VAL  17           HB       VAL  17   6.391   5.307   1.429
  140   HG11  VAL  17          HG11      VAL  17   4.700   4.597   3.098
  141   HG12  VAL  17          HG12      VAL  17   4.108   4.420   1.450
  142   HG13  VAL  17          HG13      VAL  17   4.647   2.985   2.358
  143   HG21  VAL  17          HG21      VAL  17   8.243   4.003   2.489
  144   HG22  VAL  17          HG22      VAL  17   7.003   4.459   3.665
  145   HG23  VAL  17          HG23      VAL  17   7.044   2.797   3.036
  146    H    TYR  18           H        TYR  18   4.710   1.821   0.347
  147    HA   TYR  18           HA       TYR  18   2.955   3.117  -1.563
  148    HB2  TYR  18           HB2      TYR  18   2.978   1.386  -3.219
  149    HB3  TYR  18           HB3      TYR  18   4.575   2.056  -3.080
  150    HD1  TYR  18           HD1      TYR  18   6.190   0.621  -1.344
  151    HD2  TYR  18           HD2      TYR  18   2.829  -0.829  -3.615
  152    HE1  TYR  18           HE1      TYR  18   7.172  -1.636  -1.322
  153    HE2  TYR  18           HE2      TYR  18   3.827  -3.141  -3.571
  154    HH   TYR  18           HH       TYR  18   7.010  -3.774  -2.130
  155    H    TYR  19           H        TYR  19   1.239   0.899  -2.081
  156    HA   TYR  19           HA       TYR  19   0.714  -0.314   0.551
  157    HB2  TYR  19           HB2      TYR  19  -1.107   1.470  -1.025
  158    HB3  TYR  19           HB3      TYR  19  -1.795  -0.025  -0.430
  159    HD1  TYR  19           HD2      TYR  19   0.372   2.775   0.878
  160    HD2  TYR  19           HD1      TYR  19  -2.821  -0.011   1.672
  161    HE1  TYR  19           HE2      TYR  19   0.038   3.771   3.132
  162    HE2  TYR  19           HE1      TYR  19  -3.257   1.102   3.851
  163    HH   TYR  19           HH       TYR  19  -2.814   3.507   4.832
  164    H    PHE  20           H        PHE  20  -0.201  -2.278   0.433
  165    HA   PHE  20           HA       PHE  20  -0.117  -3.712  -2.178
  166    HB2  PHE  20           HB2      PHE  20   2.016  -3.792  -0.958
  167    HB3  PHE  20           HB3      PHE  20   1.183  -4.370   0.470
  168    HD1  PHE  20           HD1      PHE  20   2.217  -5.266  -2.980
  169    HD2  PHE  20           HD2      PHE  20   0.556  -6.718   0.729
  170    HE1  PHE  20           HE1      PHE  20   2.444  -7.608  -3.786
  171    HE2  PHE  20           HE2      PHE  20   0.866  -9.055  -0.059
  172    HZ   PHE  20           HZ       PHE  20   1.778  -9.501  -2.309
  173    H    ASN  21           H        ASN  21  -1.811  -5.013  -2.428
  174    HA   ASN  21           HA       ASN  21  -3.703  -5.389  -0.223
  175    HB2  ASN  21           HB2      ASN  21  -4.373  -4.848  -2.614
  176    HB3  ASN  21           HB3      ASN  21  -3.916  -6.497  -3.010
  177   HD21  ASN  21          HD22      ASN  21  -6.535  -4.540  -1.960
  178   HD22  ASN  21          HD21      ASN  21  -7.459  -5.853  -1.246
  179    H    HIS  22           H        HIS  22  -2.895  -6.771   1.322
  180    HA   HIS  22           HA       HIS  22  -1.269  -9.072   0.569
  181    HB2  HIS  22           HB2      HIS  22  -1.218  -9.599   2.914
  182    HB3  HIS  22           HB3      HIS  22  -0.924  -7.884   2.684
  183    HD2  HIS  22           HD2      HIS  22  -2.464  -6.224   3.975
  184    HE1  HIS  22           HE1      HIS  22  -5.267  -9.019   5.555
  185    HE2  HIS  22           HE2      HIS  22  -4.486  -6.583   5.622
  186    H    ILE  23           H        ILE  23  -4.582  -8.623   0.336
  187    HA   ILE  23           HA       ILE  23  -5.256 -11.479   0.730
  188    HB   ILE  23           HB       ILE  23  -6.787  -8.892   0.467
  189   HG12  ILE  23          HG12      ILE  23  -6.745 -11.172   2.486
  190   HG13  ILE  23          HG13      ILE  23  -5.997  -9.589   2.663
  191   HG21  ILE  23          HG21      ILE  23  -7.958 -10.382  -1.067
  192   HG22  ILE  23          HG22      ILE  23  -8.086 -11.612   0.220
  193   HG23  ILE  23          HG23      ILE  23  -8.899 -10.026   0.372
  194   HD11  ILE  23          HD11      ILE  23  -8.327  -8.568   2.544
  195   HD12  ILE  23          HD12      ILE  23  -8.962 -10.224   2.671
  196   HD13  ILE  23          HD13      ILE  23  -7.972  -9.555   3.976
  197    H    THR  24           H        THR  24  -4.948  -9.075  -1.920
  198    HA   THR  24           HA       THR  24  -5.448 -11.301  -3.869
  199    HB   THR  24           HB       THR  24  -5.858  -9.658  -5.526
  200    HG1  THR  24           HG1      THR  24  -5.831  -7.445  -4.953
  201   HG21  THR  24          HG21      THR  24  -7.744 -10.148  -3.952
  202   HG22  THR  24          HG22      THR  24  -7.296  -8.707  -3.014
  203   HG23  THR  24          HG23      THR  24  -7.841  -8.543  -4.697
  204    H    ASN  25           H        ASN  25  -2.903  -9.270  -2.795
  205    HA   ASN  25           HA       ASN  25  -0.701  -9.236  -3.124
  206    HB2  ASN  25           HB2      ASN  25  -0.934 -10.899  -5.656
  207    HB3  ASN  25           HB3      ASN  25   0.534 -10.454  -4.807
  208   HD21  ASN  25          HD22      ASN  25  -2.332 -12.472  -4.668
  209   HD22  ASN  25          HD21      ASN  25  -1.683 -13.560  -3.420
  210    H    ALA  26           H        ALA  26  -2.981  -7.609  -4.742
  211    HA   ALA  26           HA       ALA  26  -1.502  -6.337  -6.852
  212    HB1  ALA  26           HB1      ALA  26  -3.311  -4.677  -6.763
  213    HB2  ALA  26           HB2      ALA  26  -3.977  -6.314  -6.626
  214    HB3  ALA  26           HB3      ALA  26  -3.824  -5.288  -5.178
  215    H    SER  27           H        SER  27  -0.768  -4.040  -6.915
  216    HA   SER  27           HA       SER  27   0.051  -2.842  -4.321
  217    HB2  SER  27           HB2      SER  27   2.168  -2.110  -5.424
  218    HB3  SER  27           HB3      SER  27   2.069  -3.811  -5.000
  219    HG   SER  27           HG       SER  27   1.412  -2.752  -7.572
  220    H    GLN  28           H        GLN  28  -0.100  -0.643  -4.216
  221    HA   GLN  28           HA       GLN  28  -0.384   1.023  -6.634
  222    HB2  GLN  28           HB2      GLN  28  -2.717   0.354  -5.994
  223    HB3  GLN  28           HB3      GLN  28  -2.417   0.934  -4.348
  224    HG2  GLN  28           HG2      GLN  28  -2.015   3.244  -5.322
  225    HG3  GLN  28           HG3      GLN  28  -2.475   2.605  -6.903
  226   HE21  GLN  28          HE22      GLN  28  -3.644   3.161  -3.511
  227   HE22  GLN  28          HE21      GLN  28  -5.338   3.241  -4.048
  228    H    PHE  29           H        PHE  29   0.581   3.133  -6.183
  229    HA   PHE  29           HA       PHE  29   2.032   3.232  -3.643
  230    HB2  PHE  29           HB2      PHE  29   2.027   5.053  -6.036
  231    HB3  PHE  29           HB3      PHE  29   2.940   5.354  -4.568
  232    HD1  PHE  29           HD2      PHE  29   2.827   1.737  -5.647
  233    HD2  PHE  29           HD1      PHE  29   4.974   5.507  -5.894
  234    HE1  PHE  29           HE2      PHE  29   4.653   0.636  -6.785
  235    HE2  PHE  29           HE1      PHE  29   6.875   4.317  -6.933
  236    HZ   PHE  29           HZ       PHE  29   6.712   1.883  -7.412
  237    H    GLU  30           H        GLU  30  -0.922   4.787  -4.855
  238    HA   GLU  30           HA       GLU  30  -1.024   6.569  -2.546
  239    HB2  GLU  30           HB2      GLU  30  -2.388   6.490  -4.980
  240    HB3  GLU  30           HB3      GLU  30  -3.617   5.967  -3.846
  241    HG2  GLU  30           HG2      GLU  30  -2.029   8.565  -3.813
  242    HG3  GLU  30           HG3      GLU  30  -3.743   8.370  -4.177
  243    H    ARG  31           H        ARG  31  -2.478   6.396  -0.894
  244    HA   ARG  31           HA       ARG  31  -2.552   3.715   0.308
  245    HB2  ARG  31           HB2      ARG  31  -3.364   6.283   1.665
  246    HB3  ARG  31           HB3      ARG  31  -2.718   4.858   2.394
  247    HG2  ARG  31           HG2      ARG  31  -0.547   5.532   2.126
  248    HG3  ARG  31           HG3      ARG  31  -0.770   6.151   0.528
  249    HD2  ARG  31           HD2      ARG  31  -1.419   7.523   3.154
  250    HD3  ARG  31           HD3      ARG  31  -0.144   7.947   2.007
  251    HE   ARG  31           HE       ARG  31  -2.019   8.433   0.342
  252   HH11  ARG  31          HH11      ARG  31  -2.767   8.945   3.744
  253   HH12  ARG  31          HH12      ARG  31  -4.472   9.246   3.362
  254   HH21  ARG  31          HH21      ARG  31  -4.098   8.895  -0.058
  255   HH22  ARG  31          HH22      ARG  31  -5.185   9.180   1.319
  256    HA   PRO  32           HA       PRO  32  -7.127   3.357  -0.321
  257    HB2  PRO  32           HB2      PRO  32  -6.251   0.935   1.270
  258    HB3  PRO  32           HB3      PRO  32  -7.692   1.111   0.227
  259    HG2  PRO  32           HG2      PRO  32  -5.679   0.151  -1.011
  260    HG3  PRO  32           HG3      PRO  32  -6.238   1.553  -1.719
  261    HD2  PRO  32           HD2      PRO  32  -3.923   1.471   0.242
  262    HD3  PRO  32           HD3      PRO  32  -3.999   2.276  -1.350
  263    H    SER  33           H        SER  33  -5.272   3.192   2.682
  264    HA   SER  33           HA       SER  33  -7.401   3.086   4.518
  265    HB2  SER  33           HB2      SER  33  -5.702   3.802   6.190
  266    HB3  SER  33           HB3      SER  33  -5.173   2.478   5.142
  267    HG   SER  33           HG       SER  33  -4.451   5.214   4.993
  268    H    GLY  34           H        GLY  34  -6.594   5.878   2.629
  269    HA2  GLY  34           HA2      GLY  34  -8.644   7.481   3.065
  270    HA3  GLY  34           HA3      GLY  34  -7.807   7.758   4.595
  271    H1   NAG 101           H1       NAG  35  11.096   2.309  -4.539
  272    H2   NAG 101           H2       NAG  35  12.044   3.325  -7.281
  273    H3   NAG 101           H3       NAG  35   9.243   2.580  -6.307
  274    H4   NAG 101           H4       NAG  35  11.054   1.296  -8.421
  275    H5   NAG 101           H5       NAG  35  10.100   0.296  -5.710
  276    H61  NAG 101           H61      NAG  35  12.086  -1.004  -7.634
  277    H62  NAG 101           H62      NAG  35  11.570  -1.641  -6.064
  278    H81  NAG 101           H2M      NAG  35  10.437   6.895  -5.093
  279    H82  NAG 101           H3M      NAG  35  11.522   7.632  -6.291
  280    H83  NAG 101           H1M      NAG  35  12.106   7.307  -4.644
  281    HN2  NAG 101           H2N      NAG  35  10.041   4.856  -5.858
  282    HO3  NAG 101           H3O      NAG  35   8.931   2.811  -8.687
  283    HO4  NAG 101           H4O      NAG  35   9.241  -0.300  -8.028
  284    HO6  NAG 101           H6O      NAG  35  10.348  -2.592  -7.758
  Start of MODEL   14
    1    H1   LYS   1           H1       LYS   1 -11.879   1.185   7.895
    2    H2   LYS   1           H2       LYS   1 -12.931   1.022   6.619
    3    H3   LYS   1           H3       LYS   1 -11.577   2.000   6.506
    4    HA   LYS   1           HA       LYS   1 -10.113   0.391   6.369
    5    HB2  LYS   1           HB2      LYS   1 -11.087  -0.959   8.283
    6    HB3  LYS   1           HB3      LYS   1 -12.101  -1.768   7.077
    7    HG2  LYS   1           HG2      LYS   1 -10.105  -3.105   7.393
    8    HG3  LYS   1           HG3      LYS   1 -10.005  -2.364   5.810
    9    HD2  LYS   1           HD2      LYS   1  -8.615  -0.480   7.261
   10    HD3  LYS   1           HD3      LYS   1  -8.381  -1.877   8.287
   11    HE2  LYS   1           HE2      LYS   1  -6.514  -1.749   6.825
   12    HE3  LYS   1           HE3      LYS   1  -7.474  -3.127   6.278
   13    HZ1  LYS   1           HZ1      LYS   1  -8.275  -1.820   4.454
   14    HZ2  LYS   1           HZ2      LYS   1  -7.669  -0.408   5.074
   15    HZ3  LYS   1           HZ3      LYS   1  -6.624  -1.585   4.531
   16    H    LEU   2           H        LEU   2  -9.739   0.620   4.310
   17    HA   LEU   2           HA       LEU   2 -11.629  -0.047   2.232
   18    HB2  LEU   2           HB2      LEU   2  -8.766   0.700   2.129
   19    HB3  LEU   2           HB3      LEU   2  -9.646   0.250   0.710
   20    HG   LEU   2           HG       LEU   2 -10.048   2.501   0.610
   21   HD11  LEU   2          HD11      LEU   2 -12.237   3.153   0.998
   22   HD12  LEU   2          HD12      LEU   2 -12.251   1.469   0.467
   23   HD13  LEU   2          HD13      LEU   2 -12.515   1.878   2.186
   24   HD21  LEU   2          HD21      LEU   2  -9.045   2.857   2.898
   25   HD22  LEU   2          HD22      LEU   2 -10.303   4.012   2.374
   26   HD23  LEU   2          HD23      LEU   2 -10.693   2.744   3.543
   27    HA   PRO   3           HA       PRO   3 -12.047  -3.939   1.466
   28    HB2  PRO   3           HB2      PRO   3 -10.262  -3.834  -0.992
   29    HB3  PRO   3           HB3      PRO   3 -11.824  -4.731  -0.823
   30    HG2  PRO   3           HG2      PRO   3 -11.898  -2.349  -1.989
   31    HG3  PRO   3           HG3      PRO   3 -13.024  -2.591  -0.599
   32    HD2  PRO   3           HD2      PRO   3 -10.260  -1.380  -0.613
   33    HD3  PRO   3           HD3      PRO   3 -11.684  -0.625   0.054
   34    HA   PRO   4           HA       PRO   4  -9.520  -6.688   3.416
   35    HB2  PRO   4           HB2      PRO   4 -10.031  -8.790   1.326
   36    HB3  PRO   4           HB3      PRO   4 -10.124  -8.933   3.107
   37    HG2  PRO   4           HG2      PRO   4 -12.392  -8.597   1.657
   38    HG3  PRO   4           HG3      PRO   4 -12.157  -7.693   3.188
   39    HD2  PRO   4           HD2      PRO   4 -11.814  -6.724   0.356
   40    HD3  PRO   4           HD3      PRO   4 -12.534  -5.899   1.770
   41    H    GLY   5           H        GLY   5  -7.464  -6.581   3.575
   42    HA2  GLY   5           HA2      GLY   5  -5.246  -7.342   2.886
   43    HA3  GLY   5           HA3      GLY   5  -5.689  -7.026   1.235
   44    H    TRP   6           H        TRP   6  -6.835  -4.053   1.922
   45    HA   TRP   6           HA       TRP   6  -4.304  -3.059   1.113
   46    HB2  TRP   6           HB2      TRP   6  -6.694  -1.587   2.112
   47    HB3  TRP   6           HB3      TRP   6  -5.302  -0.784   1.525
   48    HD1  TRP   6           HD1      TRP   6  -8.472  -1.831   0.389
   49    HE1  TRP   6           HE1      TRP   6  -8.632  -1.228  -2.122
   50    HE3  TRP   6           HE3      TRP   6  -3.515  -1.501  -0.689
   51    HZ2  TRP   6           HZ2      TRP   6  -6.833  -1.121  -4.394
   52    HZ3  TRP   6           HZ3      TRP   6  -2.761  -1.080  -2.990
   53    HH2  TRP   6           HH2      TRP   6  -4.391  -0.931  -4.865
   54    H    GLU   7           H        GLU   7  -2.578  -2.605   2.090
   55    HA   GLU   7           HA       GLU   7  -2.424  -0.661   4.159
   56    HB2  GLU   7           HB2      GLU   7  -2.850  -2.317   5.769
   57    HB3  GLU   7           HB3      GLU   7  -1.762  -3.466   5.020
   58    HG2  GLU   7           HG2      GLU   7  -0.984  -2.581   7.191
   59    HG3  GLU   7           HG3      GLU   7   0.161  -2.395   5.881
   60    H    LYS   8           H        LYS   8  -0.270  -0.039   4.611
   61    HA   LYS   8           HA       LYS   8   1.435   0.551   2.596
   62    HB2  LYS   8           HB2      LYS   8   1.168   1.395   4.970
   63    HB3  LYS   8           HB3      LYS   8   2.224   0.069   5.476
   64    HG2  LYS   8           HG2      LYS   8   4.069   1.077   4.157
   65    HG3  LYS   8           HG3      LYS   8   2.957   2.292   3.531
   66    HD2  LYS   8           HD2      LYS   8   4.413   3.059   5.443
   67    HD3  LYS   8           HD3      LYS   8   2.698   3.385   5.610
   68    HE2  LYS   8           HE2      LYS   8   3.959   0.941   6.919
   69    HE3  LYS   8           HE3      LYS   8   4.080   2.542   7.646
   70    HZ1  LYS   8           HZ1      LYS   8   2.203   1.542   8.605
   71    HZ2  LYS   8           HZ2      LYS   8   1.565   2.605   7.527
   72    HZ3  LYS   8           HZ3      LYS   8   1.562   0.987   7.244
   73    H    ARG   9           H        ARG   9   3.335  -0.026   1.835
   74    HA   ARG   9           HA       ARG   9   4.826  -2.374   2.794
   75    HB2  ARG   9           HB2      ARG   9   3.238  -3.199   1.040
   76    HB3  ARG   9           HB3      ARG   9   3.913  -2.040  -0.097
   77    HG2  ARG   9           HG2      ARG   9   4.787  -4.179  -0.594
   78    HG3  ARG   9           HG3      ARG   9   6.106  -3.225   0.043
   79    HD2  ARG   9           HD2      ARG   9   6.354  -5.401   0.957
   80    HD3  ARG   9           HD3      ARG   9   5.831  -4.355   2.270
   81    HE   ARG   9           HE       ARG   9   4.010  -5.723   2.542
   82   HH11  ARG   9          HH11      ARG   9   5.001  -6.215  -0.778
   83   HH12  ARG   9          HH12      ARG   9   3.779  -7.427  -1.049
   84   HH21  ARG   9          HH21      ARG   9   2.414  -7.274   2.099
   85   HH22  ARG   9          HH22      ARG   9   2.545  -8.132   0.601
   86    H    MET  10           H        MET  10   7.094  -2.336   1.886
   87    HA   MET  10           HA       MET  10   7.976   0.389   1.112
   88    HB2  MET  10           HB2      MET  10   8.136  -0.043   3.620
   89    HB3  MET  10           HB3      MET  10   9.288  -1.327   3.241
   90    HG2  MET  10           HG2      MET  10  10.594   0.546   1.941
   91    HG3  MET  10           HG3      MET  10   9.537   1.661   2.780
   92    HE1  MET  10           HE1      MET  10  12.904  -0.908   4.619
   93    HE2  MET  10           HE2      MET  10  11.509  -1.675   3.832
   94    HE3  MET  10           HE3      MET  10  12.609  -0.642   2.886
   95    H    PHE  11           H        PHE  11   9.657   0.473  -0.285
   96    HA   PHE  11           HA       PHE  11  10.551  -2.008  -1.569
   97    HB2  PHE  11           HB2      PHE  11  10.952   0.929  -2.112
   98    HB3  PHE  11           HB3      PHE  11  11.681  -0.339  -3.073
   99    HD1  PHE  11           HD1      PHE  11  10.170  -2.123  -4.121
  100    HD2  PHE  11           HD2      PHE  11   8.638   1.639  -2.635
  101    HE1  PHE  11           HE1      PHE  11   8.264  -2.270  -5.692
  102    HE2  PHE  11           HE2      PHE  11   6.814   1.520  -4.278
  103    HZ   PHE  11           HZ       PHE  11   6.591  -0.460  -5.780
  104    H    ARG  12           H        ARG  12  11.946  -3.019  -0.140
  105    HA   ARG  12           HA       ARG  12  14.293  -1.819   0.975
  106    HB2  ARG  12           HB2      ARG  12  15.151  -3.989   1.261
  107    HB3  ARG  12           HB3      ARG  12  13.426  -4.113   1.533
  108    HG2  ARG  12           HG2      ARG  12  14.939  -5.043  -0.962
  109    HG3  ARG  12           HG3      ARG  12  14.370  -6.036   0.363
  110    HD2  ARG  12           HD2      ARG  12  12.765  -6.472  -1.161
  111    HD3  ARG  12           HD3      ARG  12  11.978  -5.170  -0.260
  112    HE   ARG  12           HE       ARG  12  13.316  -3.877  -2.342
  113   HH11  ARG  12          HH11      ARG  12  10.904  -6.409  -2.265
  114   HH12  ARG  12          HH12      ARG  12  10.358  -6.111  -3.894
  115   HH21  ARG  12          HH21      ARG  12  12.634  -3.551  -4.499
  116   HH22  ARG  12          HH22      ARG  12  11.314  -4.508  -5.097
  117    H    SER  13           H        SER  13  16.395  -1.668   0.145
  118    HA   SER  13           HA       SER  13  18.097  -1.378  -1.334
  119    HB2  SER  13           HB2      SER  13  18.021  -1.582  -3.719
  120    HB3  SER  13           HB3      SER  13  17.272  -3.012  -2.990
  121    HG   SER  13           HG       SER  13  15.261  -2.019  -3.292
  122    H    ASN  14           H        ASN  14  15.092   0.486  -1.364
  123    HA   ASN  14           HA       ASN  14  16.913   2.800  -1.526
  124    HB2  ASN  14           HB2      ASN  14  15.681   4.033  -3.171
  125    HB3  ASN  14           HB3      ASN  14  16.192   2.492  -3.846
  126   HD21  ASN  14          HD21      ASN  14  14.579   2.553  -5.491
  127    H    GLY  15           H        GLY  15  13.847   1.526  -0.276
  128    HA2  GLY  15           HA2      GLY  15  13.043   2.203   1.832
  129    HA3  GLY  15           HA3      GLY  15  13.914   3.733   1.712
  130    H    THR  16           H        THR  16  12.301   3.111  -1.201
  131    HA   THR  16           HA       THR  16  10.243   5.107  -0.939
  132    HB   THR  16           HB       THR  16  10.437   2.751  -2.849
  133    HG1  THR  16           HG1      THR  16  12.193   3.862  -3.036
  134   HG21  THR  16          HG21      THR  16   8.965   5.352  -3.325
  135   HG22  THR  16          HG22      THR  16   9.191   3.985  -4.452
  136   HG23  THR  16          HG23      THR  16   8.193   3.771  -3.031
  137    H    VAL  17           H        VAL  17   7.856   4.578  -1.101
  138    HA   VAL  17           HA       VAL  17   7.006   2.260   0.503
  139    HB   VAL  17           HB       VAL  17   6.680   5.155   1.336
  140   HG11  VAL  17          HG11      VAL  17   4.386   4.309   1.425
  141   HG12  VAL  17          HG12      VAL  17   4.936   2.839   2.267
  142   HG13  VAL  17          HG13      VAL  17   5.040   4.428   3.054
  143   HG21  VAL  17          HG21      VAL  17   7.351   4.245   3.537
  144   HG22  VAL  17          HG22      VAL  17   7.356   2.598   2.865
  145   HG23  VAL  17          HG23      VAL  17   8.548   3.805   2.312
  146    H    TYR  18           H        TYR  18   4.862   1.737   0.215
  147    HA   TYR  18           HA       TYR  18   3.127   3.134  -1.686
  148    HB2  TYR  18           HB2      TYR  18   3.155   1.504  -3.380
  149    HB3  TYR  18           HB3      TYR  18   4.779   2.070  -3.168
  150    HD1  TYR  18           HD1      TYR  18   6.292   0.513  -1.506
  151    HD2  TYR  18           HD2      TYR  18   2.805  -0.705  -3.736
  152    HE1  TYR  18           HE1      TYR  18   7.211  -1.738  -1.654
  153    HE2  TYR  18           HE2      TYR  18   3.694  -3.053  -3.776
  154    HH   TYR  18           HH       TYR  18   7.005  -3.770  -2.753
  155    H    TYR  19           H        TYR  19   1.291   1.157  -2.229
  156    HA   TYR  19           HA       TYR  19   0.583   0.083   0.422
  157    HB2  TYR  19           HB2      TYR  19  -0.876   2.152  -1.089
  158    HB3  TYR  19           HB3      TYR  19  -1.850   0.742  -0.710
  159    HD1  TYR  19           HD2      TYR  19   0.724   2.880   0.971
  160    HD2  TYR  19           HD1      TYR  19  -2.984   0.740   1.351
  161    HE1  TYR  19           HE2      TYR  19   0.627   3.463   3.422
  162    HE2  TYR  19           HE1      TYR  19  -3.117   1.385   3.760
  163    HH   TYR  19           HH       TYR  19  -1.314   1.675   5.548
  164    H    PHE  20           H        PHE  20  -0.383  -1.782   0.428
  165    HA   PHE  20           HA       PHE  20  -0.429  -3.279  -2.143
  166    HB2  PHE  20           HB2      PHE  20   1.670  -3.337  -0.774
  167    HB3  PHE  20           HB3      PHE  20   0.782  -4.080   0.530
  168    HD1  PHE  20           HD2      PHE  20   2.216  -4.596  -2.831
  169    HD2  PHE  20           HD1      PHE  20   0.076  -6.405   0.408
  170    HE1  PHE  20           HE2      PHE  20   2.622  -6.843  -3.832
  171    HE2  PHE  20           HE1      PHE  20   0.535  -8.690  -0.588
  172    HZ   PHE  20           HZ       PHE  20   1.751  -8.893  -2.628
  173    H    ASN  21           H        ASN  21  -2.050  -4.684  -2.334
  174    HA   ASN  21           HA       ASN  21  -3.969  -4.951  -0.082
  175    HB2  ASN  21           HB2      ASN  21  -4.855  -4.505  -2.373
  176    HB3  ASN  21           HB3      ASN  21  -4.118  -6.018  -2.911
  177   HD21  ASN  21          HD22      ASN  21  -6.891  -4.605  -1.196
  178   HD22  ASN  21          HD21      ASN  21  -7.459  -6.191  -0.640
  179    H    HIS  22           H        HIS  22  -2.772  -6.161   1.408
  180    HA   HIS  22           HA       HIS  22  -0.993  -8.282   0.667
  181    HB2  HIS  22           HB2      HIS  22  -2.212  -7.654   3.373
  182    HB3  HIS  22           HB3      HIS  22  -0.821  -8.687   3.067
  183    HD2  HIS  22           HD2      HIS  22  -1.697  -4.877   2.794
  184    HE1  HIS  22           HE1      HIS  22   2.402  -5.202   3.748
  185    HE2  HIS  22           HE2      HIS  22   0.513  -3.593   3.249
  186    H    ILE  23           H        ILE  23  -4.230  -8.547   0.227
  187    HA   ILE  23           HA       ILE  23  -4.287 -11.424   1.037
  188    HB   ILE  23           HB       ILE  23  -6.224  -9.238   1.248
  189   HG12  ILE  23          HG12      ILE  23  -7.275 -10.741   2.895
  190   HG13  ILE  23          HG13      ILE  23  -6.211 -12.057   2.400
  191   HG21  ILE  23          HG21      ILE  23  -8.245 -10.513   0.808
  192   HG22  ILE  23          HG22      ILE  23  -7.346 -10.137  -0.647
  193   HG23  ILE  23          HG23      ILE  23  -7.281 -11.793   0.029
  194   HD11  ILE  23          HD11      ILE  23  -4.262 -10.842   3.288
  195   HD12  ILE  23          HD12      ILE  23  -5.288  -9.434   3.658
  196   HD13  ILE  23          HD13      ILE  23  -5.521 -10.964   4.523
  197    H    THR  24           H        THR  24  -5.164  -9.185  -1.593
  198    HA   THR  24           HA       THR  24  -5.305 -11.381  -3.565
  199    HB   THR  24           HB       THR  24  -5.726  -9.616  -5.217
  200    HG1  THR  24           HG1      THR  24  -5.497  -7.863  -3.015
  201   HG21  THR  24          HG21      THR  24  -7.382  -9.046  -2.720
  202   HG22  THR  24          HG22      THR  24  -7.824  -8.737  -4.407
  203   HG23  THR  24          HG23      THR  24  -7.658 -10.409  -3.833
  204    H    ASN  25           H        ASN  25  -2.933  -8.992  -2.563
  205    HA   ASN  25           HA       ASN  25  -0.789  -8.738  -2.905
  206    HB2  ASN  25           HB2      ASN  25  -0.827 -10.670  -5.233
  207    HB3  ASN  25           HB3      ASN  25   0.595  -9.971  -4.486
  208   HD21  ASN  25          HD22      ASN  25  -1.986 -12.293  -4.055
  209   HD22  ASN  25          HD21      ASN  25  -1.259 -13.086  -2.648
  210    H    ALA  26           H        ALA  26  -3.177  -7.449  -4.549
  211    HA   ALA  26           HA       ALA  26  -1.852  -6.120  -6.730
  212    HB1  ALA  26           HB1      ALA  26  -3.663  -4.508  -6.593
  213    HB2  ALA  26           HB2      ALA  26  -4.337  -6.128  -6.318
  214    HB3  ALA  26           HB3      ALA  26  -4.070  -5.015  -4.952
  215    H    SER  27           H        SER  27  -1.011  -3.891  -6.818
  216    HA   SER  27           HA       SER  27  -0.215  -2.599  -4.262
  217    HB2  SER  27           HB2      SER  27   2.030  -2.164  -5.243
  218    HB3  SER  27           HB3      SER  27   1.755  -3.829  -4.755
  219    HG   SER  27           HG       SER  27   1.303  -2.861  -7.388
  220    H    GLN  28           H        GLN  28  -0.279  -0.415  -4.357
  221    HA   GLN  28           HA       GLN  28  -0.087   0.996  -6.944
  222    HB2  GLN  28           HB2      GLN  28  -2.291   1.400  -4.869
  223    HB3  GLN  28           HB3      GLN  28  -1.897   2.568  -6.109
  224    HG2  GLN  28           HG2      GLN  28  -3.000  -0.223  -6.553
  225    HG3  GLN  28           HG3      GLN  28  -3.860   1.309  -6.734
  226   HE21  GLN  28          HE22      GLN  28  -2.433   2.943  -8.464
  227   HE22  GLN  28          HE21      GLN  28  -2.060   1.978  -9.890
  228    H    PHE  29           H        PHE  29   0.600   3.366  -6.408
  229    HA   PHE  29           HA       PHE  29   2.150   3.358  -3.828
  230    HB2  PHE  29           HB2      PHE  29   2.282   5.161  -6.233
  231    HB3  PHE  29           HB3      PHE  29   3.051   5.504  -4.692
  232    HD1  PHE  29           HD1      PHE  29   3.161   1.880  -5.738
  233    HD2  PHE  29           HD2      PHE  29   5.196   5.720  -5.851
  234    HE1  PHE  29           HE1      PHE  29   5.104   0.838  -6.717
  235    HE2  PHE  29           HE2      PHE  29   7.208   4.591  -6.727
  236    HZ   PHE  29           HZ       PHE  29   7.169   2.153  -7.203
  237    H    GLU  30           H        GLU  30  -0.649   4.562  -5.437
  238    HA   GLU  30           HA       GLU  30  -1.504   6.478  -3.488
  239    HB2  GLU  30           HB2      GLU  30  -3.421   4.848  -5.153
  240    HB3  GLU  30           HB3      GLU  30  -3.520   6.520  -4.634
  241    HG2  GLU  30           HG2      GLU  30  -3.097   6.759  -6.893
  242    HG3  GLU  30           HG3      GLU  30  -1.466   6.904  -6.246
  243    H    ARG  31           H        ARG  31  -2.214   6.137  -1.551
  244    HA   ARG  31           HA       ARG  31  -2.833   3.494  -0.417
  245    HB2  ARG  31           HB2      ARG  31  -1.240   4.822   0.709
  246    HB3  ARG  31           HB3      ARG  31  -2.121   6.296   0.518
  247    HG2  ARG  31           HG2      ARG  31  -3.537   4.314   2.223
  248    HG3  ARG  31           HG3      ARG  31  -1.953   4.779   2.811
  249    HD2  ARG  31           HD2      ARG  31  -3.794   6.175   3.729
  250    HD3  ARG  31           HD3      ARG  31  -2.431   7.052   3.001
  251    HE   ARG  31           HE       ARG  31  -4.200   6.744   0.922
  252   HH11  ARG  31          HH12      ARG  31  -4.782   8.326   3.992
  253   HH12  ARG  31          HH11      ARG  31  -6.270   9.031   3.383
  254   HH21  ARG  31          HH21      ARG  31  -5.938   7.466   0.296
  255   HH22  ARG  31          HH22      ARG  31  -7.058   8.320   1.359
  256    HA   PRO  32           HA       PRO  32  -7.279   4.597  -0.691
  257    HB2  PRO  32           HB2      PRO  32  -7.923   2.556   1.164
  258    HB3  PRO  32           HB3      PRO  32  -8.340   2.683  -0.588
  259    HG2  PRO  32           HG2      PRO  32  -6.701   0.825   0.700
  260    HG3  PRO  32           HG3      PRO  32  -6.920   1.075  -0.992
  261    HD2  PRO  32           HD2      PRO  32  -4.628   2.017   0.711
  262    HD3  PRO  32           HD3      PRO  32  -4.678   1.960  -1.074
  263    H    SER  33           H        SER  33  -8.771   5.533   1.098
  264    HA   SER  33           HA       SER  33  -7.271   6.643   3.308
  265    HB2  SER  33           HB2      SER  33 -10.189   6.877   2.538
  266    HB3  SER  33           HB3      SER  33  -9.417   7.777   3.859
  267    HG   SER  33           HG       SER  33  -9.488   8.905   1.839
  268    H    GLY  34           H        GLY  34  -6.825   4.254   3.956
  269    HA2  GLY  34           HA2      GLY  34  -6.669   2.983   5.891
  270    HA3  GLY  34           HA3      GLY  34  -7.923   3.984   6.635
  271    H1   NAG 101           H1       NAG  35  11.939   1.655  -4.439
  272    H2   NAG 101           H2       NAG  35  12.623   2.530  -7.287
  273    H3   NAG 101           H3       NAG  35  10.080   1.263  -6.121
  274    H4   NAG 101           H4       NAG  35  12.114   0.188  -8.149
  275    H5   NAG 101           H5       NAG  35  11.547  -0.772  -5.316
  276    H61  NAG 101           H61      NAG  35  12.316  -2.571  -6.875
  277    H62  NAG 101           H62      NAG  35  13.760  -1.613  -7.240
  278    H81  NAG 101           H2M      NAG  35  11.210   6.260  -5.626
  279    H82  NAG 101           H3M      NAG  35   9.517   5.935  -6.070
  280    H83  NAG 101           H1M      NAG  35  10.609   6.717  -7.233
  281    HN2  NAG 101           H2N      NAG  35  11.387   3.957  -5.114
  282    HO3  NAG 101           H3O      NAG  35  10.338   2.837  -8.237
  283    HO4  NAG 101           H4O      NAG  35   9.772  -0.263  -8.157
  284    HO6  NAG 101           H6O      NAG  35  14.443  -1.820  -5.121
  Start of MODEL   15
    1    H1   LYS   1           H1       LYS   1 -12.399   5.705   1.042
    2    H2   LYS   1           H2       LYS   1 -13.196   4.356   0.506
    3    H3   LYS   1           H3       LYS   1 -12.352   5.277  -0.552
    4    HA   LYS   1           HA       LYS   1 -10.271   4.669   0.426
    5    HB2  LYS   1           HB2      LYS   1 -10.194   3.013   2.209
    6    HB3  LYS   1           HB3      LYS   1 -10.943   4.513   2.753
    7    HG2  LYS   1           HG2      LYS   1 -13.152   3.441   2.658
    8    HG3  LYS   1           HG3      LYS   1 -12.456   1.945   2.022
    9    HD2  LYS   1           HD2      LYS   1 -11.435   3.055   4.655
   10    HD3  LYS   1           HD3      LYS   1 -12.996   2.262   4.593
   11    HE2  LYS   1           HE2      LYS   1 -11.352   0.687   5.313
   12    HE3  LYS   1           HE3      LYS   1 -12.013   0.188   3.756
   13    HZ1  LYS   1           HZ1      LYS   1  -9.533   0.010   4.037
   14    HZ2  LYS   1           HZ2      LYS   1 -10.022   0.773   2.680
   15    HZ3  LYS   1           HZ3      LYS   1  -9.443   1.654   3.977
   16    H    LEU   2           H        LEU   2  -9.132   2.720  -0.244
   17    HA   LEU   2           HA       LEU   2 -10.745   0.951  -1.921
   18    HB2  LEU   2           HB2      LEU   2  -7.875   0.438  -1.573
   19    HB3  LEU   2           HB3      LEU   2  -8.896  -0.046  -2.783
   20    HG   LEU   2           HG       LEU   2  -9.338   2.021  -3.807
   21   HD11  LEU   2          HD11      LEU   2  -6.865   3.150  -2.490
   22   HD12  LEU   2          HD12      LEU   2  -7.873   3.880  -3.725
   23   HD13  LEU   2          HD13      LEU   2  -8.525   3.676  -2.106
   24   HD21  LEU   2          HD21      LEU   2  -7.185   1.999  -5.053
   25   HD22  LEU   2          HD22      LEU   2  -6.459   1.018  -3.772
   26   HD23  LEU   2          HD23      LEU   2  -7.799   0.379  -4.741
   27    HA   PRO   3           HA       PRO   3 -11.848  -2.217   0.599
   28    HB2  PRO   3           HB2      PRO   3  -9.975  -4.127  -0.835
   29    HB3  PRO   3           HB3      PRO   3 -11.719  -4.373  -0.479
   30    HG2  PRO   3           HG2      PRO   3 -10.991  -3.634  -2.936
   31    HG3  PRO   3           HG3      PRO   3 -12.316  -2.699  -2.140
   32    HD2  PRO   3           HD2      PRO   3  -9.338  -2.048  -2.166
   33    HD3  PRO   3           HD3      PRO   3 -10.655  -0.991  -2.668
   34    HA   PRO   4           HA       PRO   4  -9.219  -3.761   3.944
   35    HB2  PRO   4           HB2      PRO   4 -10.592  -6.060   4.631
   36    HB3  PRO   4           HB3      PRO   4 -11.100  -4.413   5.123
   37    HG2  PRO   4           HG2      PRO   4 -12.099  -6.055   2.782
   38    HG3  PRO   4           HG3      PRO   4 -13.062  -5.131   3.982
   39    HD2  PRO   4           HD2      PRO   4 -12.512  -4.113   1.555
   40    HD3  PRO   4           HD3      PRO   4 -12.463  -3.061   2.995
   41    H    GLY   5           H        GLY   5  -7.469  -5.179   3.928
   42    HA2  GLY   5           HA2      GLY   5  -6.355  -7.211   2.949
   43    HA3  GLY   5           HA3      GLY   5  -7.179  -6.826   1.453
   44    H    TRP   6           H        TRP   6  -6.819  -3.752   1.367
   45    HA   TRP   6           HA       TRP   6  -4.018  -3.763   0.675
   46    HB2  TRP   6           HB2      TRP   6  -5.968  -1.525   1.186
   47    HB3  TRP   6           HB3      TRP   6  -4.359  -1.334   0.554
   48    HD1  TRP   6           HD1      TRP   6  -7.741  -1.695  -0.635
   49    HE1  TRP   6           HE1      TRP   6  -7.719  -1.728  -3.191
   50    HE3  TRP   6           HE3      TRP   6  -2.780  -2.301  -1.356
   51    HZ2  TRP   6           HZ2      TRP   6  -5.798  -2.191  -5.318
   52    HZ3  TRP   6           HZ3      TRP   6  -1.851  -2.331  -3.615
   53    HH2  TRP   6           HH2      TRP   6  -3.336  -2.380  -5.627
   54    H    GLU   7           H        GLU   7  -2.282  -3.248   1.744
   55    HA   GLU   7           HA       GLU   7  -2.389  -2.030   4.465
   56    HB2  GLU   7           HB2      GLU   7  -2.436  -4.612   4.332
   57    HB3  GLU   7           HB3      GLU   7  -0.788  -4.504   3.711
   58    HG2  GLU   7           HG2      GLU   7  -0.119  -3.353   5.833
   59    HG3  GLU   7           HG3      GLU   7  -1.788  -3.467   6.403
   60    H    LYS   8           H        LYS   8  -0.511  -0.755   4.974
   61    HA   LYS   8           HA       LYS   8   0.859   0.335   2.721
   62    HB2  LYS   8           HB2      LYS   8   0.318   1.558   4.792
   63    HB3  LYS   8           HB3      LYS   8   1.566   0.657   5.666
   64    HG2  LYS   8           HG2      LYS   8   3.272   1.580   4.059
   65    HG3  LYS   8           HG3      LYS   8   2.007   2.489   3.247
   66    HD2  LYS   8           HD2      LYS   8   2.593   2.873   6.220
   67    HD3  LYS   8           HD3      LYS   8   3.542   3.656   4.966
   68    HE2  LYS   8           HE2      LYS   8   1.985   5.293   5.482
   69    HE3  LYS   8           HE3      LYS   8   1.372   4.573   3.994
   70    HZ1  LYS   8           HZ1      LYS   8  -0.126   3.218   5.460
   71    HZ2  LYS   8           HZ2      LYS   8   0.346   4.155   6.742
   72    HZ3  LYS   8           HZ3      LYS   8  -0.439   4.800   5.428
   73    H    ARG   9           H        ARG   9   2.907   0.174   1.971
   74    HA   ARG   9           HA       ARG   9   4.660  -2.036   2.950
   75    HB2  ARG   9           HB2      ARG   9   2.744  -2.480   1.018
   76    HB3  ARG   9           HB3      ARG   9   4.007  -1.818   0.017
   77    HG2  ARG   9           HG2      ARG   9   4.380  -4.077  -0.143
   78    HG3  ARG   9           HG3      ARG   9   5.527  -3.660   1.101
   79    HD2  ARG   9           HD2      ARG   9   3.017  -5.297   1.250
   80    HD3  ARG   9           HD3      ARG   9   4.587  -5.607   1.963
   81    HE   ARG   9           HE       ARG   9   3.471  -3.371   3.324
   82   HH11  ARG   9          HH11      ARG   9   2.260  -6.745   3.062
   83   HH12  ARG   9          HH12      ARG   9   1.417  -6.420   4.607
   84   HH21  ARG   9          HH21      ARG   9   2.423  -3.338   5.148
   85   HH22  ARG   9          HH22      ARG   9   1.573  -4.833   5.669
   86    H    MET  10           H        MET  10   6.860  -1.959   2.084
   87    HA   MET  10           HA       MET  10   7.661   0.769   1.207
   88    HB2  MET  10           HB2      MET  10   7.779   0.460   3.731
   89    HB3  MET  10           HB3      MET  10   8.978  -0.804   3.440
   90    HG2  MET  10           HG2      MET  10  10.198   1.120   2.037
   91    HG3  MET  10           HG3      MET  10   9.167   2.178   2.979
   92    HE1  MET  10           HE1      MET  10  12.343   0.097   2.737
   93    HE2  MET  10           HE2      MET  10  12.728  -0.367   4.411
   94    HE3  MET  10           HE3      MET  10  11.339  -1.107   3.582
   95    H    PHE  11           H        PHE  11   9.317   0.877  -0.198
   96    HA   PHE  11           HA       PHE  11  10.415  -1.587  -1.330
   97    HB2  PHE  11           HB2      PHE  11  10.659   1.356  -1.952
   98    HB3  PHE  11           HB3      PHE  11  11.486   0.095  -2.867
   99    HD1  PHE  11           HD2      PHE  11   9.944  -1.889  -3.730
  100    HD2  PHE  11           HD1      PHE  11   8.464   2.020  -2.621
  101    HE1  PHE  11           HE2      PHE  11   7.981  -2.197  -5.214
  102    HE2  PHE  11           HE1      PHE  11   6.626   1.776  -4.253
  103    HZ   PHE  11           HZ       PHE  11   6.357  -0.348  -5.508
  104    H    ARG  12           H        ARG  12  11.854  -2.545  -0.039
  105    HA   ARG  12           HA       ARG  12  13.961  -1.345   1.461
  106    HB2  ARG  12           HB2      ARG  12  13.857  -4.034   0.015
  107    HB3  ARG  12           HB3      ARG  12  15.099  -3.558   1.179
  108    HG2  ARG  12           HG2      ARG  12  13.342  -3.285   2.936
  109    HG3  ARG  12           HG3      ARG  12  12.120  -3.855   1.783
  110    HD2  ARG  12           HD2      ARG  12  13.373  -6.007   1.547
  111    HD3  ARG  12           HD3      ARG  12  14.568  -5.423   2.701
  112    HE   ARG  12           HE       ARG  12  13.099  -5.737   4.471
  113   HH11  ARG  12          HH11      ARG  12  11.344  -6.412   1.520
  114   HH12  ARG  12          HH12      ARG  12  10.036  -7.213   2.345
  115   HH21  ARG  12          HH21      ARG  12  11.393  -6.748   5.502
  116   HH22  ARG  12          HH22      ARG  12  10.066  -7.366   4.571
  117    H    SER  13           H        SER  13  16.182  -1.125   0.967
  118    HA   SER  13           HA       SER  13  17.900  -0.239  -0.109
  119    HB2  SER  13           HB2      SER  13  17.845  -2.323  -1.450
  120    HB3  SER  13           HB3      SER  13  16.895  -1.466  -2.687
  121    HG   SER  13           HG       SER  13  18.668   0.167  -2.484
  122    H    ASN  14           H        ASN  14  14.782   1.031  -0.907
  123    HA   ASN  14           HA       ASN  14  16.311   3.482  -1.544
  124    HB2  ASN  14           HB2      ASN  14  15.142   4.148  -3.425
  125    HB3  ASN  14           HB3      ASN  14  15.570   2.471  -3.718
  126   HD21  ASN  14          HD21      ASN  14  13.932   2.808  -5.422
  127    H    GLY  15           H        GLY  15  13.449   2.115  -0.016
  128    HA2  GLY  15           HA2      GLY  15  12.590   2.970   1.973
  129    HA3  GLY  15           HA3      GLY  15  13.411   4.511   1.705
  130    H    THR  16           H        THR  16  11.755   3.537  -1.122
  131    HA   THR  16           HA       THR  16   9.654   5.554  -0.829
  132    HB   THR  16           HB       THR  16  10.135   3.359  -2.872
  133    HG1  THR  16           HG1      THR  16  11.589   5.177  -2.491
  134   HG21  THR  16          HG21      THR  16   8.688   4.663  -4.405
  135   HG22  THR  16          HG22      THR  16   7.762   3.987  -3.076
  136   HG23  THR  16          HG23      THR  16   8.206   5.712  -3.055
  137    H    VAL  17           H        VAL  17   7.310   4.869  -1.155
  138    HA   VAL  17           HA       VAL  17   6.552   2.568   0.517
  139    HB   VAL  17           HB       VAL  17   6.063   5.467   1.222
  140   HG11  VAL  17          HG11      VAL  17   4.398   3.124   2.230
  141   HG12  VAL  17          HG12      VAL  17   4.411   4.765   2.916
  142   HG13  VAL  17          HG13      VAL  17   3.806   4.512   1.283
  143   HG21  VAL  17          HG21      VAL  17   7.966   4.247   2.289
  144   HG22  VAL  17          HG22      VAL  17   6.723   4.669   3.472
  145   HG23  VAL  17          HG23      VAL  17   6.824   3.003   2.859
  146    H    TYR  18           H        TYR  18   4.508   1.885   0.227
  147    HA   TYR  18           HA       TYR  18   2.686   3.017  -1.730
  148    HB2  TYR  18           HB2      TYR  18   2.866   1.278  -3.353
  149    HB3  TYR  18           HB3      TYR  18   4.435   2.005  -3.169
  150    HD1  TYR  18           HD1      TYR  18   6.064   0.687  -1.414
  151    HD2  TYR  18           HD2      TYR  18   2.754  -0.983  -3.611
  152    HE1  TYR  18           HE1      TYR  18   7.125  -1.534  -1.293
  153    HE2  TYR  18           HE2      TYR  18   3.817  -3.255  -3.438
  154    HH   TYR  18           HH       TYR  18   7.033  -3.714  -2.024
  155    H    TYR  19           H        TYR  19   1.157   0.636  -2.203
  156    HA   TYR  19           HA       TYR  19   0.653  -0.496   0.471
  157    HB2  TYR  19           HB2      TYR  19  -1.203   1.147  -1.216
  158    HB3  TYR  19           HB3      TYR  19  -1.850  -0.343  -0.573
  159    HD1  TYR  19           HD1      TYR  19   0.011   2.706   0.552
  160    HD2  TYR  19           HD2      TYR  19  -2.697  -0.455   1.593
  161    HE1  TYR  19           HE1      TYR  19  -0.483   3.829   2.740
  162    HE2  TYR  19           HE2      TYR  19  -3.238   0.684   3.744
  163    HH   TYR  19           HH       TYR  19  -2.080   3.977   4.470
  164    H    PHE  20           H        PHE  20  -0.181  -2.526   0.432
  165    HA   PHE  20           HA       PHE  20  -0.107  -4.008  -2.161
  166    HB2  PHE  20           HB2      PHE  20   1.982  -4.122  -0.833
  167    HB3  PHE  20           HB3      PHE  20   1.066  -4.763   0.535
  168    HD1  PHE  20           HD1      PHE  20   0.097  -7.073   0.429
  169    HD2  PHE  20           HD2      PHE  20   2.578  -5.486  -2.713
  170    HE1  PHE  20           HE1      PHE  20   0.321  -9.353  -0.561
  171    HE2  PHE  20           HE2      PHE  20   2.703  -7.750  -3.755
  172    HZ   PHE  20           HZ       PHE  20   1.538  -9.673  -2.673
  173    H    ASN  21           H        ASN  21  -1.834  -5.333  -2.443
  174    HA   ASN  21           HA       ASN  21  -3.764  -5.553  -0.213
  175    HB2  ASN  21           HB2      ASN  21  -4.502  -4.770  -2.514
  176    HB3  ASN  21           HB3      ASN  21  -4.196  -6.399  -3.068
  177   HD21  ASN  21          HD21      ASN  21  -6.657  -4.391  -1.863
  178   HD22  ASN  21          HD22      ASN  21  -7.633  -5.682  -1.171
  179    H    HIS  22           H        HIS  22  -2.978  -7.145   1.169
  180    HA   HIS  22           HA       HIS  22  -1.734  -9.535  -0.012
  181    HB2  HIS  22           HB2      HIS  22  -1.460 -10.291   2.302
  182    HB3  HIS  22           HB3      HIS  22  -0.787  -8.706   1.998
  183    HD2  HIS  22           HD2      HIS  22  -1.367  -6.859   3.638
  184    HE1  HIS  22           HE1      HIS  22  -4.405  -8.857   5.847
  185    HE2  HIS  22           HE2      HIS  22  -2.725  -6.888   5.851
  186    H    ILE  23           H        ILE  23  -4.922  -8.726   0.160
  187    HA   ILE  23           HA       ILE  23  -5.851 -11.527   0.483
  188    HB   ILE  23           HB       ILE  23  -7.158  -8.809   0.445
  189   HG12  ILE  23          HG12      ILE  23  -7.136 -11.187   2.355
  190   HG13  ILE  23          HG13      ILE  23  -6.280  -9.662   2.560
  191   HG21  ILE  23          HG21      ILE  23  -8.693 -11.402   0.184
  192   HG22  ILE  23          HG22      ILE  23  -9.358  -9.764   0.460
  193   HG23  ILE  23          HG23      ILE  23  -8.551 -10.128  -1.058
  194   HD11  ILE  23          HD11      ILE  23  -9.272 -10.140   2.748
  195   HD12  ILE  23          HD12      ILE  23  -8.160  -9.594   4.010
  196   HD13  ILE  23          HD13      ILE  23  -8.560  -8.515   2.660
  197    H    THR  24           H        THR  24  -5.491  -9.005  -2.059
  198    HA   THR  24           HA       THR  24  -6.284 -11.061  -4.086
  199    HB   THR  24           HB       THR  24  -6.446  -9.300  -5.672
  200    HG1  THR  24           HG1      THR  24  -6.080  -7.151  -5.017
  201   HG21  THR  24          HG21      THR  24  -8.386  -9.579  -4.117
  202   HG22  THR  24          HG22      THR  24  -7.728  -8.276  -3.105
  203   HG23  THR  24          HG23      THR  24  -8.239  -7.940  -4.774
  204    H    ASN  25           H        ASN  25  -3.467  -9.464  -2.952
  205    HA   ASN  25           HA       ASN  25  -1.284  -9.756  -3.256
  206    HB2  ASN  25           HB2      ASN  25  -1.733 -11.231  -5.880
  207    HB3  ASN  25           HB3      ASN  25  -0.228 -11.071  -4.993
  208   HD21  ASN  25          HD22      ASN  25  -3.374 -12.629  -5.013
  209   HD22  ASN  25          HD21      ASN  25  -2.918 -13.888  -3.842
  210    H    ALA  26           H        ALA  26  -3.294  -7.750  -4.779
  211    HA   ALA  26           HA       ALA  26  -1.627  -6.644  -6.853
  212    HB1  ALA  26           HB1      ALA  26  -4.087  -6.339  -6.690
  213    HB2  ALA  26           HB2      ALA  26  -3.857  -5.349  -5.226
  214    HB3  ALA  26           HB3      ALA  26  -3.232  -4.789  -6.790
  215    H    SER  27           H        SER  27  -0.732  -4.401  -6.857
  216    HA   SER  27           HA       SER  27   0.035  -3.223  -4.259
  217    HB2  SER  27           HB2      SER  27   2.259  -2.622  -5.236
  218    HB3  SER  27           HB3      SER  27   2.064  -4.291  -4.734
  219    HG   SER  27           HG       SER  27   1.616  -3.359  -7.397
  220    H    GLN  28           H        GLN  28  -0.067  -1.010  -4.289
  221    HA   GLN  28           HA       GLN  28  -0.251   0.513  -6.811
  222    HB2  GLN  28           HB2      GLN  28  -2.512  -0.379  -6.337
  223    HB3  GLN  28           HB3      GLN  28  -2.485   0.355  -4.724
  224    HG2  GLN  28           HG2      GLN  28  -2.538   2.570  -5.680
  225    HG3  GLN  28           HG3      GLN  28  -2.233   1.933  -7.306
  226   HE21  GLN  28          HE22      GLN  28  -4.214   3.347  -7.718
  227   HE22  GLN  28          HE21      GLN  28  -5.775   2.512  -7.518
  228    H    PHE  29           H        PHE  29   0.174   2.892  -6.350
  229    HA   PHE  29           HA       PHE  29   1.753   3.088  -3.821
  230    HB2  PHE  29           HB2      PHE  29   1.764   4.709  -6.361
  231    HB3  PHE  29           HB3      PHE  29   2.610   5.171  -4.895
  232    HD1  PHE  29           HD2      PHE  29   2.682   1.487  -5.751
  233    HD2  PHE  29           HD1      PHE  29   4.690   5.319  -6.132
  234    HE1  PHE  29           HE2      PHE  29   4.610   0.392  -6.709
  235    HE2  PHE  29           HE1      PHE  29   6.684   4.149  -7.012
  236    HZ   PHE  29           HZ       PHE  29   6.643   1.685  -7.330
  237    H    GLU  30           H        GLU  30  -0.975   4.459  -5.500
  238    HA   GLU  30           HA       GLU  30  -1.733   6.495  -3.669
  239    HB2  GLU  30           HB2      GLU  30  -3.701   4.775  -5.184
  240    HB3  GLU  30           HB3      GLU  30  -3.826   6.461  -4.720
  241    HG2  GLU  30           HG2      GLU  30  -3.401   6.700  -6.963
  242    HG3  GLU  30           HG3      GLU  30  -1.757   6.802  -6.348
  243    H    ARG  31           H        ARG  31  -2.521   6.359  -1.663
  244    HA   ARG  31           HA       ARG  31  -2.545   3.746  -0.345
  245    HB2  ARG  31           HB2      ARG  31  -2.644   6.580   0.750
  246    HB3  ARG  31           HB3      ARG  31  -2.418   5.120   1.699
  247    HG2  ARG  31           HG2      ARG  31  -0.180   5.271   1.362
  248    HG3  ARG  31           HG3      ARG  31  -0.416   4.981  -0.344
  249    HD2  ARG  31           HD2      ARG  31   0.921   6.927   0.096
  250    HD3  ARG  31           HD3      ARG  31  -0.613   7.447  -0.655
  251    HE   ARG  31           HE       ARG  31  -0.832   7.448   2.234
  252   HH11  ARG  31          HH21      ARG  31   0.618   9.521  -0.197
  253   HH12  ARG  31          HH22      ARG  31   0.472  10.922   0.842
  254   HH21  ARG  31          HH11      ARG  31  -0.984   8.991   3.379
  255   HH22  ARG  31          HH12      ARG  31  -0.466  10.649   2.974
  256    HA   PRO  32           HA       PRO  32  -7.101   3.646  -0.395
  257    HB2  PRO  32           HB2      PRO  32  -6.363   1.409   1.503
  258    HB3  PRO  32           HB3      PRO  32  -7.737   1.463   0.377
  259    HG2  PRO  32           HG2      PRO  32  -5.740   0.214  -0.479
  260    HG3  PRO  32           HG3      PRO  32  -6.162   1.444  -1.552
  261    HD2  PRO  32           HD2      PRO  32  -3.981   1.729   0.525
  262    HD3  PRO  32           HD3      PRO  32  -3.934   2.163  -1.209
  263    H    SER  33           H        SER  33  -5.178   3.655   2.577
  264    HA   SER  33           HA       SER  33  -7.128   5.414   3.917
  265    HB2  SER  33           HB2      SER  33  -6.628   2.603   4.985
  266    HB3  SER  33           HB3      SER  33  -7.522   3.889   5.826
  267    HG   SER  33           HG       SER  33  -8.398   3.669   3.307
  268    H    GLY  34           H        GLY  34  -4.914   6.476   3.409
  269    HA2  GLY  34           HA2      GLY  34  -3.660   7.905   4.868
  270    HA3  GLY  34           HA3      GLY  34  -3.467   6.578   6.017
  271    H1   NAG 101           H1       NAG  35  11.157   2.331  -4.446
  272    H2   NAG 101           H2       NAG  35  12.137   3.387  -7.155
  273    H3   NAG 101           H3       NAG  35   9.290   2.710  -6.261
  274    H4   NAG 101           H4       NAG  35  11.117   1.376  -8.330
  275    H5   NAG 101           H5       NAG  35  10.048   0.410  -5.654
  276    H61  NAG 101           H61      NAG  35  10.232  -1.556  -7.070
  277    H62  NAG 101           H62      NAG  35  11.776  -0.990  -7.736
  278    H81  NAG 101           H2M      NAG  35  10.862   7.909  -6.590
  279    H82  NAG 101           H3M      NAG  35  11.723   7.230  -5.192
  280    H83  NAG 101           H1M      NAG  35   9.951   7.097  -5.299
  281    HN2  NAG 101           H2N      NAG  35  11.086   4.774  -4.836
  282    HO3  NAG 101           H3O      NAG  35  10.109   4.406  -8.129
  283    HO4  NAG 101           H4O      NAG  35   8.783   1.620  -8.584
  284    HO6  NAG 101           H6O      NAG  35  12.440  -0.956  -5.405
  Start of MODEL   16
    1    H1   LYS   1           H1       LYS   1 -10.700   6.718   0.155
    2    H2   LYS   1           H2       LYS   1  -9.329   6.000   0.605
    3    H3   LYS   1           H3       LYS   1 -10.783   5.251   0.890
    4    HA   LYS   1           HA       LYS   1 -11.030   5.514  -1.680
    5    HB2  LYS   1           HB2      LYS   1  -8.027   5.502  -1.255
    6    HB3  LYS   1           HB3      LYS   1  -8.809   5.043  -2.779
    7    HG2  LYS   1           HG2      LYS   1  -9.866   7.197  -3.003
    8    HG3  LYS   1           HG3      LYS   1  -9.186   7.773  -1.480
    9    HD2  LYS   1           HD2      LYS   1  -7.236   6.677  -3.509
   10    HD3  LYS   1           HD3      LYS   1  -8.058   8.171  -3.924
   11    HE2  LYS   1           HE2      LYS   1  -5.909   8.627  -2.894
   12    HE3  LYS   1           HE3      LYS   1  -7.236   9.305  -1.957
   13    HZ1  LYS   1           HZ1      LYS   1  -6.902   7.700  -0.262
   14    HZ2  LYS   1           HZ2      LYS   1  -5.981   6.712  -1.183
   15    HZ3  LYS   1           HZ3      LYS   1  -5.362   8.150  -0.794
   16    H    LEU   2           H        LEU   2  -8.399   3.289  -1.583
   17    HA   LEU   2           HA       LEU   2 -10.230   1.312  -2.211
   18    HB2  LEU   2           HB2      LEU   2  -7.442   0.404  -1.834
   19    HB3  LEU   2           HB3      LEU   2  -8.606  -0.019  -2.963
   20    HG   LEU   2           HG       LEU   2  -8.564   2.129  -4.150
   21   HD11  LEU   2          HD11      LEU   2  -6.609   3.446  -4.215
   22   HD12  LEU   2          HD12      LEU   2  -6.989   3.389  -2.485
   23   HD13  LEU   2          HD13      LEU   2  -5.725   2.354  -3.147
   24   HD21  LEU   2          HD21      LEU   2  -6.650   1.331  -5.508
   25   HD22  LEU   2          HD22      LEU   2  -6.131   0.293  -4.164
   26   HD23  LEU   2          HD23      LEU   2  -7.673  -0.013  -5.004
   27    HA   PRO   3           HA       PRO   3 -11.488  -1.130   1.009
   28    HB2  PRO   3           HB2      PRO   3 -10.257  -3.534  -0.363
   29    HB3  PRO   3           HB3      PRO   3 -11.959  -3.346   0.185
   30    HG2  PRO   3           HG2      PRO   3 -11.399  -3.099  -2.398
   31    HG3  PRO   3           HG3      PRO   3 -12.376  -1.782  -1.636
   32    HD2  PRO   3           HD2      PRO   3  -9.344  -1.882  -1.999
   33    HD3  PRO   3           HD3      PRO   3 -10.474  -0.631  -2.555
   34    HA   PRO   4           HA       PRO   4  -8.955  -3.128   4.212
   35    HB2  PRO   4           HB2      PRO   4 -11.152  -5.212   4.135
   36    HB3  PRO   4           HB3      PRO   4 -10.394  -4.435   5.562
   37    HG2  PRO   4           HG2      PRO   4 -12.827  -3.613   4.707
   38    HG3  PRO   4           HG3      PRO   4 -11.591  -2.398   5.175
   39    HD2  PRO   4           HD2      PRO   4 -12.362  -3.328   2.405
   40    HD3  PRO   4           HD3      PRO   4 -12.063  -1.666   3.002
   41    H    GLY   5           H        GLY   5  -7.354  -4.746   4.092
   42    HA2  GLY   5           HA2      GLY   5  -6.515  -6.906   3.073
   43    HA3  GLY   5           HA3      GLY   5  -7.349  -6.423   1.607
   44    H    TRP   6           H        TRP   6  -6.683  -3.457   1.534
   45    HA   TRP   6           HA       TRP   6  -3.884  -3.625   0.766
   46    HB2  TRP   6           HB2      TRP   6  -5.787  -1.388   1.268
   47    HB3  TRP   6           HB3      TRP   6  -4.178  -1.211   0.594
   48    HD1  TRP   6           HD1      TRP   6  -7.624  -1.781  -0.546
   49    HE1  TRP   6           HE1      TRP   6  -7.673  -2.003  -3.043
   50    HE3  TRP   6           HE3      TRP   6  -2.666  -1.988  -1.284
   51    HZ2  TRP   6           HZ2      TRP   6  -5.711  -2.320  -5.215
   52    HZ3  TRP   6           HZ3      TRP   6  -1.759  -1.947  -3.519
   53    HH2  TRP   6           HH2      TRP   6  -3.237  -2.172  -5.546
   54    H    GLU   7           H        GLU   7  -2.081  -3.056   1.850
   55    HA   GLU   7           HA       GLU   7  -2.206  -1.685   4.475
   56    HB2  GLU   7           HB2      GLU   7  -2.442  -4.242   4.659
   57    HB3  GLU   7           HB3      GLU   7  -0.767  -4.350   4.138
   58    HG2  GLU   7           HG2      GLU   7  -1.796  -2.845   6.593
   59    HG3  GLU   7           HG3      GLU   7  -1.220  -4.508   6.618
   60    H    LYS   8           H        LYS   8   0.015  -0.958   5.170
   61    HA   LYS   8           HA       LYS   8   1.345   0.380   2.997
   62    HB2  LYS   8           HB2      LYS   8   1.287   1.561   4.957
   63    HB3  LYS   8           HB3      LYS   8   1.613   0.214   5.991
   64    HG2  LYS   8           HG2      LYS   8   3.708   1.508   4.195
   65    HG3  LYS   8           HG3      LYS   8   3.357   2.012   5.841
   66    HD2  LYS   8           HD2      LYS   8   4.729  -0.542   4.969
   67    HD3  LYS   8           HD3      LYS   8   5.296   0.750   5.976
   68    HE2  LYS   8           HE2      LYS   8   4.966  -0.976   7.456
   69    HE3  LYS   8           HE3      LYS   8   3.556   0.051   7.727
   70    HZ1  LYS   8           HZ1      LYS   8   3.298  -2.542   7.427
   71    HZ2  LYS   8           HZ2      LYS   8   2.159  -1.586   6.804
   72    HZ3  LYS   8           HZ3      LYS   8   3.268  -2.190   5.817
   73    H    ARG   9           H        ARG   9   3.373   0.118   2.081
   74    HA   ARG   9           HA       ARG   9   4.962  -2.265   2.821
   75    HB2  ARG   9           HB2      ARG   9   3.018  -2.563   0.970
   76    HB3  ARG   9           HB3      ARG   9   4.191  -1.811  -0.074
   77    HG2  ARG   9           HG2      ARG   9   4.203  -4.259  -0.189
   78    HG3  ARG   9           HG3      ARG   9   5.759  -3.652   0.328
   79    HD2  ARG   9           HD2      ARG   9   4.915  -5.721   1.547
   80    HD3  ARG   9           HD3      ARG   9   5.535  -4.411   2.526
   81    HE   ARG   9           HE       ARG   9   3.253  -3.782   3.180
   82   HH11  ARG   9          HH11      ARG   9   3.326  -6.897   1.602
   83   HH12  ARG   9          HH12      ARG   9   2.100  -7.560   2.648
   84   HH21  ARG   9          HH21      ARG   9   1.707  -4.694   4.584
   85   HH22  ARG   9          HH22      ARG   9   1.138  -6.271   4.170
   86    H    MET  10           H        MET  10   7.153  -2.254   1.867
   87    HA   MET  10           HA       MET  10   8.052   0.476   1.136
   88    HB2  MET  10           HB2      MET  10   8.128  -0.035   3.652
   89    HB3  MET  10           HB3      MET  10   9.402  -1.201   3.268
   90    HG2  MET  10           HG2      MET  10  10.695   0.705   2.207
   91    HG3  MET  10           HG3      MET  10   9.427   1.800   2.714
   92    HE1  MET  10           HE1      MET  10  10.656   3.430   4.126
   93    HE2  MET  10           HE2      MET  10  11.884   3.022   5.346
   94    HE3  MET  10           HE3      MET  10  12.197   2.697   3.629
   95    H    PHE  11           H        PHE  11   9.806   0.601  -0.196
   96    HA   PHE  11           HA       PHE  11  10.609  -1.890  -1.533
   97    HB2  PHE  11           HB2      PHE  11  10.939   1.044  -2.139
   98    HB3  PHE  11           HB3      PHE  11  11.611  -0.231  -3.131
   99    HD1  PHE  11           HD1      PHE  11   9.955  -2.118  -3.920
  100    HD2  PHE  11           HD2      PHE  11   8.684   1.804  -2.627
  101    HE1  PHE  11           HE1      PHE  11   7.955  -2.267  -5.387
  102    HE2  PHE  11           HE2      PHE  11   6.827   1.725  -4.251
  103    HZ   PHE  11           HZ       PHE  11   6.433  -0.333  -5.587
  104    H    ARG  12           H        ARG  12  12.137  -2.909  -0.276
  105    HA   ARG  12           HA       ARG  12  14.526  -1.717   0.707
  106    HB2  ARG  12           HB2      ARG  12  15.516  -4.035   0.451
  107    HB3  ARG  12           HB3      ARG  12  14.108  -3.852   1.471
  108    HG2  ARG  12           HG2      ARG  12  13.951  -5.905   0.326
  109    HG3  ARG  12           HG3      ARG  12  12.656  -4.878  -0.247
  110    HD2  ARG  12           HD2      ARG  12  15.247  -5.055  -1.812
  111    HD3  ARG  12           HD3      ARG  12  14.121  -6.398  -1.874
  112    HE   ARG  12           HE       ARG  12  13.712  -3.663  -2.931
  113   HH11  ARG  12          HH11      ARG  12  12.210  -6.787  -2.447
  114   HH12  ARG  12          HH12      ARG  12  11.036  -6.558  -3.717
  115   HH21  ARG  12          HH21      ARG  12  12.297  -3.451  -4.653
  116   HH22  ARG  12          HH22      ARG  12  11.068  -4.666  -4.911
  117    H    SER  13           H        SER  13  16.576  -1.527  -0.146
  118    HA   SER  13           HA       SER  13  18.229  -1.112  -1.624
  119    HB2  SER  13           HB2      SER  13  18.157  -1.250  -3.998
  120    HB3  SER  13           HB3      SER  13  17.404  -2.704  -3.324
  121    HG   SER  13           HG       SER  13  15.387  -1.671  -3.609
  122    H    ASN  14           H        ASN  14  15.174   0.669  -1.597
  123    HA   ASN  14           HA       ASN  14  16.904   3.066  -1.733
  124    HB2  ASN  14           HB2      ASN  14  15.578   4.250  -3.333
  125    HB3  ASN  14           HB3      ASN  14  16.118   2.731  -4.033
  126   HD21  ASN  14          HD21      ASN  14  14.459   2.637  -5.617
  127    H    GLY  15           H        GLY  15  13.932   1.629  -0.450
  128    HA2  GLY  15           HA2      GLY  15  13.123   2.133   1.661
  129    HA3  GLY  15           HA3      GLY  15  13.989   3.670   1.693
  130    H    THR  16           H        THR  16  12.296   3.215  -1.235
  131    HA   THR  16           HA       THR  16  10.277   5.224  -0.821
  132    HB   THR  16           HB       THR  16  10.428   2.942  -2.824
  133    HG1  THR  16           HG1      THR  16  12.143   4.114  -3.007
  134   HG21  THR  16          HG21      THR  16   8.818   5.504  -3.054
  135   HG22  THR  16          HG22      THR  16   9.082   4.287  -4.332
  136   HG23  THR  16          HG23      THR  16   8.156   3.853  -2.911
  137    H    VAL  17           H        VAL  17   7.865   4.680  -0.992
  138    HA   VAL  17           HA       VAL  17   7.090   2.368   0.665
  139    HB   VAL  17           HB       VAL  17   6.609   5.276   1.355
  140   HG11  VAL  17          HG11      VAL  17   4.972   4.562   3.076
  141   HG12  VAL  17          HG12      VAL  17   4.352   4.329   1.445
  142   HG13  VAL  17          HG13      VAL  17   4.946   2.932   2.377
  143   HG21  VAL  17          HG21      VAL  17   7.362   2.833   3.020
  144   HG22  VAL  17          HG22      VAL  17   8.522   4.042   2.407
  145   HG23  VAL  17          HG23      VAL  17   7.298   4.513   3.594
  146    H    TYR  18           H        TYR  18   4.971   1.744   0.357
  147    HA   TYR  18           HA       TYR  18   3.189   3.018  -1.534
  148    HB2  TYR  18           HB2      TYR  18   3.184   1.277  -3.174
  149    HB3  TYR  18           HB3      TYR  18   4.791   1.937  -3.061
  150    HD1  TYR  18           HD1      TYR  18   6.421   0.505  -1.364
  151    HD2  TYR  18           HD2      TYR  18   2.982  -0.948  -3.523
  152    HE1  TYR  18           HE1      TYR  18   7.392  -1.746  -1.362
  153    HE2  TYR  18           HE2      TYR  18   3.978  -3.259  -3.505
  154    HH   TYR  18           HH       TYR  18   7.181  -3.893  -2.082
  155    H    TYR  19           H        TYR  19   1.471   0.816  -2.028
  156    HA   TYR  19           HA       TYR  19   0.942  -0.385   0.601
  157    HB2  TYR  19           HB2      TYR  19  -0.838   1.473  -0.947
  158    HB3  TYR  19           HB3      TYR  19  -1.574   0.024  -0.294
  159    HD1  TYR  19           HD1      TYR  19   0.622   2.902   0.806
  160    HD2  TYR  19           HD2      TYR  19  -2.335  -0.041   1.921
  161    HE1  TYR  19           HE1      TYR  19   0.549   3.817   3.108
  162    HE2  TYR  19           HE2      TYR  19  -2.553   1.011   4.146
  163    HH   TYR  19           HH       TYR  19  -1.784   2.667   5.548
  164    H    PHE  20           H        PHE  20  -0.047  -2.336   0.490
  165    HA   PHE  20           HA       PHE  20  -0.080  -3.756  -2.125
  166    HB2  PHE  20           HB2      PHE  20   2.061  -3.968  -0.951
  167    HB3  PHE  20           HB3      PHE  20   1.256  -4.546   0.498
  168    HD1  PHE  20           HD2      PHE  20   2.226  -5.388  -2.975
  169    HD2  PHE  20           HD1      PHE  20   0.370  -6.853   0.631
  170    HE1  PHE  20           HE2      PHE  20   2.321  -7.705  -3.864
  171    HE2  PHE  20           HE1      PHE  20   0.569  -9.185  -0.234
  172    HZ   PHE  20           HZ       PHE  20   1.505  -9.603  -2.474
  173    H    ASN  21           H        ASN  21  -1.830  -4.972  -2.376
  174    HA   ASN  21           HA       ASN  21  -3.707  -5.343  -0.142
  175    HB2  ASN  21           HB2      ASN  21  -4.395  -4.726  -2.524
  176    HB3  ASN  21           HB3      ASN  21  -4.018  -6.386  -2.944
  177   HD21  ASN  21          HD22      ASN  21  -6.525  -4.331  -1.775
  178   HD22  ASN  21          HD21      ASN  21  -7.488  -5.632  -1.087
  179    H    HIS  22           H        HIS  22  -2.988  -6.819   1.345
  180    HA   HIS  22           HA       HIS  22  -1.491  -9.184   0.456
  181    HB2  HIS  22           HB2      HIS  22  -1.381  -9.780   2.793
  182    HB3  HIS  22           HB3      HIS  22  -0.941  -8.098   2.566
  183    HD2  HIS  22           HD2      HIS  22  -2.300  -6.291   3.850
  184    HE1  HIS  22           HE1      HIS  22  -5.242  -8.816   5.622
  185    HE2  HIS  22           HE2      HIS  22  -4.276  -6.445   5.586
  186    H    ILE  23           H        ILE  23  -4.763  -8.521   0.338
  187    HA   ILE  23           HA       ILE  23  -5.595 -11.340   0.712
  188    HB   ILE  23           HB       ILE  23  -6.998  -8.670   0.538
  189   HG12  ILE  23          HG12      ILE  23  -6.968 -10.965   2.539
  190   HG13  ILE  23          HG13      ILE  23  -6.164  -9.407   2.701
  191   HG21  ILE  23          HG21      ILE  23  -9.163  -9.718   0.510
  192   HG22  ILE  23          HG22      ILE  23  -8.286 -10.093  -0.966
  193   HG23  ILE  23          HG23      ILE  23  -8.418 -11.332   0.311
  194   HD11  ILE  23          HD11      ILE  23  -8.474  -8.319   2.665
  195   HD12  ILE  23          HD12      ILE  23  -9.145  -9.958   2.814
  196   HD13  ILE  23          HD13      ILE  23  -8.090  -9.318   4.082
  197    H    THR  24           H        THR  24  -5.226  -8.902  -1.890
  198    HA   THR  24           HA       THR  24  -5.892 -11.044  -3.881
  199    HB   THR  24           HB       THR  24  -6.243  -9.338  -5.486
  200    HG1  THR  24           HG1      THR  24  -6.061  -7.147  -4.875
  201   HG21  THR  24          HG21      THR  24  -8.119  -9.745  -3.877
  202   HG22  THR  24          HG22      THR  24  -7.556  -8.359  -2.918
  203   HG23  THR  24          HG23      THR  24  -8.130  -8.119  -4.583
  204    H    ASN  25           H        ASN  25  -3.221  -9.177  -2.806
  205    HA   ASN  25           HA       ASN  25  -1.024  -9.267  -3.164
  206    HB2  ASN  25           HB2      ASN  25  -1.386 -10.876  -5.712
  207    HB3  ASN  25           HB3      ASN  25   0.115 -10.533  -4.874
  208   HD21  ASN  25          HD22      ASN  25  -2.861 -12.382  -4.744
  209   HD22  ASN  25          HD21      ASN  25  -2.274 -13.517  -3.508
  210    H    ALA  26           H        ALA  26  -3.221  -7.474  -4.711
  211    HA   ALA  26           HA       ALA  26  -1.692  -6.246  -6.813
  212    HB1  ALA  26           HB1      ALA  26  -3.397  -4.484  -6.658
  213    HB2  ALA  26           HB2      ALA  26  -4.157  -6.081  -6.550
  214    HB3  ALA  26           HB3      ALA  26  -3.923  -5.104  -5.079
  215    H    SER  27           H        SER  27  -0.853  -3.968  -6.824
  216    HA   SER  27           HA       SER  27   0.015  -2.839  -4.225
  217    HB2  SER  27           HB2      SER  27   2.250  -2.355  -5.199
  218    HB3  SER  27           HB3      SER  27   1.963  -4.036  -4.789
  219    HG   SER  27           HG       SER  27   1.517  -2.933  -7.384
  220    H    GLN  28           H        GLN  28  -0.014  -0.627  -4.188
  221    HA   GLN  28           HA       GLN  28   0.441   0.922  -6.589
  222    HB2  GLN  28           HB2      GLN  28  -1.493   2.311  -6.515
  223    HB3  GLN  28           HB3      GLN  28  -2.004   0.656  -6.804
  224    HG2  GLN  28           HG2      GLN  28  -3.093   0.486  -4.743
  225    HG3  GLN  28           HG3      GLN  28  -2.049   1.659  -3.949
  226   HE21  GLN  28          HE22      GLN  28  -3.042   3.594  -3.486
  227   HE22  GLN  28          HE21      GLN  28  -4.287   4.284  -4.552
  228    H    PHE  29           H        PHE  29   0.826   3.303  -5.989
  229    HA   PHE  29           HA       PHE  29   2.266   3.168  -3.455
  230    HB2  PHE  29           HB2      PHE  29   2.308   5.201  -5.662
  231    HB3  PHE  29           HB3      PHE  29   3.279   5.281  -4.203
  232    HD1  PHE  29           HD2      PHE  29   3.089   1.756  -5.394
  233    HD2  PHE  29           HD1      PHE  29   5.120   5.570  -5.868
  234    HE1  PHE  29           HE2      PHE  29   4.818   0.688  -6.700
  235    HE2  PHE  29           HE1      PHE  29   6.937   4.412  -7.082
  236    HZ   PHE  29           HZ       PHE  29   6.784   1.975  -7.527
  237    H    GLU  30           H        GLU  30  -0.676   4.880  -4.446
  238    HA   GLU  30           HA       GLU  30  -0.575   6.548  -2.016
  239    HB2  GLU  30           HB2      GLU  30  -1.935   6.739  -4.481
  240    HB3  GLU  30           HB3      GLU  30  -3.203   6.384  -3.327
  241    HG2  GLU  30           HG2      GLU  30  -1.181   8.662  -3.118
  242    HG3  GLU  30           HG3      GLU  30  -2.842   8.810  -3.695
  243    H    ARG  31           H        ARG  31  -2.268   6.468  -0.434
  244    HA   ARG  31           HA       ARG  31  -2.482   3.721   0.567
  245    HB2  ARG  31           HB2      ARG  31  -3.601   6.078   2.034
  246    HB3  ARG  31           HB3      ARG  31  -2.924   4.625   2.679
  247    HG2  ARG  31           HG2      ARG  31  -0.857   5.486   2.848
  248    HG3  ARG  31           HG3      ARG  31  -0.847   6.181   1.248
  249    HD2  ARG  31           HD2      ARG  31  -2.052   7.344   3.802
  250    HD3  ARG  31           HD3      ARG  31  -0.622   7.918   2.944
  251    HE   ARG  31           HE       ARG  31  -2.100   8.504   1.018
  252   HH11  ARG  31          HH21      ARG  31  -3.960   8.002   4.040
  253   HH12  ARG  31          HH22      ARG  31  -5.401   8.533   3.132
  254   HH21  ARG  31          HH12      ARG  31  -4.010   9.288   0.243
  255   HH22  ARG  31          HH11      ARG  31  -5.406   9.265   1.383
  256    HA   PRO  32           HA       PRO  32  -6.983   3.228   0.021
  257    HB2  PRO  32           HB2      PRO  32  -5.958   0.934   1.753
  258    HB3  PRO  32           HB3      PRO  32  -7.394   0.925   0.692
  259    HG2  PRO  32           HG2      PRO  32  -5.438   0.207  -0.666
  260    HG3  PRO  32           HG3      PRO  32  -6.033   1.694  -1.196
  261    HD2  PRO  32           HD2      PRO  32  -3.797   1.488   0.849
  262    HD3  PRO  32           HD3      PRO  32  -3.732   2.286  -0.756
  263    H    SER  33           H        SER  33  -8.733   2.345   1.808
  264    HA   SER  33           HA       SER  33 -10.152   3.062   3.340
  265    HB2  SER  33           HB2      SER  33  -7.707   3.666   5.029
  266    HB3  SER  33           HB3      SER  33  -9.384   3.625   5.601
  267    HG   SER  33           HG       SER  33  -8.238   1.622   5.875
  268    H    GLY  34           H        GLY  34  -7.564   5.527   3.599
  269    HA2  GLY  34           HA2      GLY  34  -9.573   7.709   3.068
  270    HA3  GLY  34           HA3      GLY  34  -8.120   7.917   4.050
  271    H1   NAG 101           H1       NAG  35  11.785   1.949  -4.488
  272    H2   NAG 101           H2       NAG  35  12.438   2.895  -7.325
  273    H3   NAG 101           H3       NAG  35   9.795   1.871  -6.160
  274    H4   NAG 101           H4       NAG  35  11.667   0.587  -8.223
  275    H5   NAG 101           H5       NAG  35  10.994  -0.215  -5.370
  276    H61  NAG 101           H61      NAG  35  11.377  -2.258  -6.665
  277    H62  NAG 101           H62      NAG  35  12.849  -1.562  -7.372
  278    H81  NAG 101           H2M      NAG  35  10.632   7.222  -6.984
  279    H82  NAG 101           H3M      NAG  35  11.509   6.706  -5.527
  280    H83  NAG 101           H1M      NAG  35   9.758   6.421  -5.660
  281    HN2  NAG 101           H2N      NAG  35  11.356   4.296  -5.036
  282    HO3  NAG 101           H3O      NAG  35  10.189   3.466  -8.205
  283    HO4  NAG 101           H4O      NAG  35   9.290   0.427  -8.246
  284    HO6  NAG 101           H6O      NAG  35  13.608  -1.292  -5.179
  Start of MODEL   17
    1    H1   LYS   1           H1       LYS   1  -7.431   6.611  -0.128
    2    H2   LYS   1           H2       LYS   1  -7.223   5.969  -1.627
    3    H3   LYS   1           H3       LYS   1  -6.934   5.081  -0.254
    4    HA   LYS   1           HA       LYS   1  -9.217   5.188   0.413
    5    HB2  LYS   1           HB2      LYS   1 -10.900   6.168  -1.244
    6    HB3  LYS   1           HB3      LYS   1  -9.935   7.233  -0.253
    7    HG2  LYS   1           HG2      LYS   1 -10.152   8.203  -2.408
    8    HG3  LYS   1           HG3      LYS   1  -8.471   7.796  -2.145
    9    HD2  LYS   1           HD2      LYS   1  -8.746   5.805  -3.663
   10    HD3  LYS   1           HD3      LYS   1 -10.458   6.227  -3.854
   11    HE2  LYS   1           HE2      LYS   1  -9.413   7.086  -5.783
   12    HE3  LYS   1           HE3      LYS   1  -9.642   8.493  -4.729
   13    HZ1  LYS   1           HZ1      LYS   1  -7.103   6.975  -5.182
   14    HZ2  LYS   1           HZ2      LYS   1  -7.388   8.586  -5.476
   15    HZ3  LYS   1           HZ3      LYS   1  -7.273   7.913  -3.944
   16    H    LEU   2           H        LEU   2  -8.594   2.888   0.193
   17    HA   LEU   2           HA       LEU   2 -10.096   1.639  -1.911
   18    HB2  LEU   2           HB2      LEU   2  -7.373   0.463  -1.830
   19    HB3  LEU   2           HB3      LEU   2  -8.614   0.243  -2.906
   20    HG   LEU   2           HG       LEU   2  -8.545   2.351  -3.987
   21   HD11  LEU   2          HD11      LEU   2  -6.873   3.496  -2.297
   22   HD12  LEU   2          HD12      LEU   2  -5.648   2.619  -3.218
   23   HD13  LEU   2          HD13      LEU   2  -6.716   3.762  -4.041
   24   HD21  LEU   2          HD21      LEU   2  -6.121   0.511  -4.141
   25   HD22  LEU   2          HD22      LEU   2  -7.698   0.237  -4.920
   26   HD23  LEU   2          HD23      LEU   2  -6.701   1.589  -5.432
   27    HA   PRO   3           HA       PRO   3 -11.594  -1.256   0.787
   28    HB2  PRO   3           HB2      PRO   3 -10.165  -3.448  -0.759
   29    HB3  PRO   3           HB3      PRO   3 -11.889  -3.447  -0.234
   30    HG2  PRO   3           HG2      PRO   3 -11.339  -2.837  -2.756
   31    HG3  PRO   3           HG3      PRO   3 -12.379  -1.672  -1.846
   32    HD2  PRO   3           HD2      PRO   3  -9.350  -1.593  -2.212
   33    HD3  PRO   3           HD3      PRO   3 -10.513  -0.299  -2.577
   34    HA   PRO   4           HA       PRO   4  -9.105  -3.293   3.976
   35    HB2  PRO   4           HB2      PRO   4 -10.759  -5.434   4.617
   36    HB3  PRO   4           HB3      PRO   4 -10.975  -3.764   5.225
   37    HG2  PRO   4           HG2      PRO   4 -12.338  -5.085   2.865
   38    HG3  PRO   4           HG3      PRO   4 -13.079  -4.096   4.166
   39    HD2  PRO   4           HD2      PRO   4 -12.524  -3.011   1.784
   40    HD3  PRO   4           HD3      PRO   4 -12.177  -2.088   3.268
   41    H    GLY   5           H        GLY   5  -7.558  -4.890   3.886
   42    HA2  GLY   5           HA2      GLY   5  -6.683  -7.032   2.876
   43    HA3  GLY   5           HA3      GLY   5  -7.480  -6.541   1.393
   44    H    TRP   6           H        TRP   6  -6.813  -3.549   1.387
   45    HA   TRP   6           HA       TRP   6  -4.010  -3.733   0.682
   46    HB2  TRP   6           HB2      TRP   6  -5.879  -1.452   1.182
   47    HB3  TRP   6           HB3      TRP   6  -4.254  -1.297   0.551
   48    HD1  TRP   6           HD1      TRP   6  -7.665  -1.658  -0.665
   49    HE1  TRP   6           HE1      TRP   6  -7.668  -1.853  -3.198
   50    HE3  TRP   6           HE3      TRP   6  -2.721  -2.226  -1.334
   51    HZ2  TRP   6           HZ2      TRP   6  -5.718  -2.226  -5.314
   52    HZ3  TRP   6           HZ3      TRP   6  -1.779  -2.219  -3.568
   53    HH2  TRP   6           HH2      TRP   6  -3.240  -2.268  -5.609
   54    H    GLU   7           H        GLU   7  -2.208  -3.184   1.781
   55    HA   GLU   7           HA       GLU   7  -2.352  -1.832   4.420
   56    HB2  GLU   7           HB2      GLU   7  -2.481  -4.409   4.561
   57    HB3  GLU   7           HB3      GLU   7  -0.809  -4.432   4.025
   58    HG2  GLU   7           HG2      GLU   7  -1.897  -3.050   6.526
   59    HG3  GLU   7           HG3      GLU   7  -1.196  -4.663   6.495
   60    H    LYS   8           H        LYS   8  -0.148  -1.031   5.078
   61    HA   LYS   8           HA       LYS   8   1.164   0.320   2.890
   62    HB2  LYS   8           HB2      LYS   8   1.074   1.548   4.806
   63    HB3  LYS   8           HB3      LYS   8   1.372   0.233   5.886
   64    HG2  LYS   8           HG2      LYS   8   3.699   1.057   4.148
   65    HG3  LYS   8           HG3      LYS   8   3.116   2.210   5.315
   66    HD2  LYS   8           HD2      LYS   8   4.930   0.913   6.247
   67    HD3  LYS   8           HD3      LYS   8   3.466   0.754   7.198
   68    HE2  LYS   8           HE2      LYS   8   4.232  -1.343   5.148
   69    HE3  LYS   8           HE3      LYS   8   5.008  -1.321   6.720
   70    HZ1  LYS   8           HZ1      LYS   8   3.014  -1.863   7.794
   71    HZ2  LYS   8           HZ2      LYS   8   2.030  -1.422   6.571
   72    HZ3  LYS   8           HZ3      LYS   8   2.832  -2.737   6.393
   73    H    ARG   9           H        ARG   9   3.208   0.061   2.000
   74    HA   ARG   9           HA       ARG   9   4.816  -2.294   2.767
   75    HB2  ARG   9           HB2      ARG   9   2.908  -2.630   0.884
   76    HB3  ARG   9           HB3      ARG   9   4.085  -1.857  -0.142
   77    HG2  ARG   9           HG2      ARG   9   4.134  -4.308  -0.254
   78    HG3  ARG   9           HG3      ARG   9   5.675  -3.673   0.274
   79    HD2  ARG   9           HD2      ARG   9   4.823  -5.762   1.482
   80    HD3  ARG   9           HD3      ARG   9   5.457  -4.456   2.458
   81    HE   ARG   9           HE       ARG   9   3.162  -3.803   3.097
   82   HH11  ARG   9          HH21      ARG   9   3.231  -6.954   1.599
   83   HH12  ARG   9          HH22      ARG   9   2.022  -7.588   2.683
   84   HH21  ARG   9          HH12      ARG   9   1.661  -4.672   4.551
   85   HH22  ARG   9          HH11      ARG   9   1.076  -6.254   4.183
   86    H    MET  10           H        MET  10   7.038  -2.184   1.958
   87    HA   MET  10           HA       MET  10   7.847   0.561   1.134
   88    HB2  MET  10           HB2      MET  10   7.862   0.218   3.651
   89    HB3  MET  10           HB3      MET  10   9.140  -0.978   3.400
   90    HG2  MET  10           HG2      MET  10  10.459   0.882   2.220
   91    HG3  MET  10           HG3      MET  10   9.221   2.000   2.736
   92    HE1  MET  10           HE1      MET  10  11.826   3.054   3.664
   93    HE2  MET  10           HE2      MET  10  10.249   3.623   4.250
   94    HE3  MET  10           HE3      MET  10  11.554   3.271   5.404
   95    H    PHE  11           H        PHE  11   9.523   0.728  -0.222
   96    HA   PHE  11           HA       PHE  11  10.656  -1.701  -1.406
   97    HB2  PHE  11           HB2      PHE  11  10.835   1.249  -2.042
   98    HB3  PHE  11           HB3      PHE  11  11.611  -0.016  -2.980
   99    HD1  PHE  11           HD2      PHE  11  10.104  -1.970  -3.839
  100    HD2  PHE  11           HD1      PHE  11   8.551   1.878  -2.605
  101    HE1  PHE  11           HE2      PHE  11   8.169  -2.241  -5.367
  102    HE2  PHE  11           HE1      PHE  11   6.763   1.681  -4.292
  103    HZ   PHE  11           HZ       PHE  11   6.540  -0.394  -5.626
  104    H    ARG  12           H        ARG  12  12.128  -2.568   0.001
  105    HA   ARG  12           HA       ARG  12  14.325  -1.158   1.243
  106    HB2  ARG  12           HB2      ARG  12  13.683  -4.030   0.498
  107    HB3  ARG  12           HB3      ARG  12  15.337  -3.608   0.901
  108    HG2  ARG  12           HG2      ARG  12  14.097  -4.508   2.824
  109    HG3  ARG  12           HG3      ARG  12  14.792  -2.924   3.102
  110    HD2  ARG  12           HD2      ARG  12  12.565  -3.168   4.139
  111    HD3  ARG  12           HD3      ARG  12  12.657  -1.837   2.996
  112    HE   ARG  12           HE       ARG  12  10.887  -2.757   1.891
  113   HH11  ARG  12          HH22      ARG  12  12.379  -5.528   3.436
  114   HH12  ARG  12          HH21      ARG  12  11.175  -6.619   2.801
  115   HH21  ARG  12          HH11      ARG  12   9.504  -4.050   1.125
  116   HH22  ARG  12          HH12      ARG  12   9.514  -5.785   1.458
  117    H    SER  13           H        SER  13  16.368  -0.844   0.487
  118    HA   SER  13           HA       SER  13  18.117  -0.495  -0.886
  119    HB2  SER  13           HB2      SER  13  18.301  -0.998  -3.194
  120    HB3  SER  13           HB3      SER  13  17.563  -2.387  -2.380
  121    HG   SER  13           HG       SER  13  15.530  -1.591  -3.041
  122    H    ASN  14           H        ASN  14  14.989   1.042  -1.298
  123    HA   ASN  14           HA       ASN  14  16.599   3.500  -1.663
  124    HB2  ASN  14           HB2      ASN  14  15.321   4.436  -3.408
  125    HB3  ASN  14           HB3      ASN  14  15.845   2.841  -3.923
  126   HD21  ASN  14          HD21      ASN  14  14.205   2.789  -5.546
  127    H    GLY  15           H        GLY  15  13.699   2.046  -0.297
  128    HA2  GLY  15           HA2      GLY  15  12.903   2.627   1.796
  129    HA3  GLY  15           HA3      GLY  15  13.644   4.222   1.712
  130    H    THR  16           H        THR  16  12.008   3.501  -1.170
  131    HA   THR  16           HA       THR  16   9.871   5.400  -0.817
  132    HB   THR  16           HB       THR  16  10.188   3.130  -2.812
  133    HG1  THR  16           HG1      THR  16  11.856   4.357  -2.942
  134   HG21  THR  16          HG21      THR  16   8.824   4.509  -4.353
  135   HG22  THR  16          HG22      THR  16   7.891   3.910  -2.995
  136   HG23  THR  16          HG23      THR  16   8.440   5.609  -3.007
  137    H    VAL  17           H        VAL  17   7.514   4.725  -1.049
  138    HA   VAL  17           HA       VAL  17   6.810   2.395   0.610
  139    HB   VAL  17           HB       VAL  17   6.172   5.285   1.273
  140   HG11  VAL  17          HG11      VAL  17   4.582   4.478   3.002
  141   HG12  VAL  17          HG12      VAL  17   3.982   4.188   1.373
  142   HG13  VAL  17          HG13      VAL  17   4.668   2.843   2.317
  143   HG21  VAL  17          HG21      VAL  17   7.090   2.920   2.969
  144   HG22  VAL  17          HG22      VAL  17   8.161   4.203   2.346
  145   HG23  VAL  17          HG23      VAL  17   6.903   4.597   3.524
  146    H    TYR  18           H        TYR  18   4.715   1.689   0.251
  147    HA   TYR  18           HA       TYR  18   2.920   2.919  -1.664
  148    HB2  TYR  18           HB2      TYR  18   2.973   1.166  -3.298
  149    HB3  TYR  18           HB3      TYR  18   4.560   1.878  -3.182
  150    HD1  TYR  18           HD1      TYR  18   6.231   0.522  -1.487
  151    HD2  TYR  18           HD2      TYR  18   2.837  -1.077  -3.599
  152    HE1  TYR  18           HE1      TYR  18   7.289  -1.695  -1.467
  153    HE2  TYR  18           HE2      TYR  18   3.897  -3.354  -3.544
  154    HH   TYR  18           HH       TYR  18   7.210  -3.823  -2.481
  155    H    TYR  19           H        TYR  19   1.237   0.649  -2.119
  156    HA   TYR  19           HA       TYR  19   0.883  -0.585   0.528
  157    HB2  TYR  19           HB2      TYR  19  -1.124   1.093  -0.960
  158    HB3  TYR  19           HB3      TYR  19  -1.674  -0.352  -0.155
  159    HD1  TYR  19           HD1      TYR  19   0.475   2.670   0.718
  160    HD2  TYR  19           HD2      TYR  19  -2.599  -0.097   1.947
  161    HE1  TYR  19           HE1      TYR  19   0.381   3.741   2.942
  162    HE2  TYR  19           HE2      TYR  19  -2.856   1.140   4.076
  163    HH   TYR  19           HH       TYR  19  -2.324   3.371   5.050
  164    H    PHE  20           H        PHE  20  -0.140  -2.541   0.434
  165    HA   PHE  20           HA       PHE  20  -0.136  -3.986  -2.168
  166    HB2  PHE  20           HB2      PHE  20   1.970  -4.199  -0.951
  167    HB3  PHE  20           HB3      PHE  20   1.135  -4.739   0.497
  168    HD1  PHE  20           HD1      PHE  20   2.230  -5.674  -2.901
  169    HD2  PHE  20           HD2      PHE  20   0.140  -7.032   0.630
  170    HE1  PHE  20           HE1      PHE  20   2.332  -8.011  -3.729
  171    HE2  PHE  20           HE2      PHE  20   0.316  -9.374  -0.190
  172    HZ   PHE  20           HZ       PHE  20   1.386  -9.862  -2.351
  173    H    ASN  21           H        ASN  21  -1.876  -5.238  -2.433
  174    HA   ASN  21           HA       ASN  21  -3.800  -5.477  -0.226
  175    HB2  ASN  21           HB2      ASN  21  -4.437  -4.819  -2.602
  176    HB3  ASN  21           HB3      ASN  21  -4.122  -6.491  -3.031
  177   HD21  ASN  21          HD22      ASN  21  -6.587  -4.363  -1.970
  178   HD22  ASN  21          HD21      ASN  21  -7.605  -5.613  -1.271
  179    H    HIS  22           H        HIS  22  -3.196  -6.987   1.259
  180    HA   HIS  22           HA       HIS  22  -1.762  -9.402   0.411
  181    HB2  HIS  22           HB2      HIS  22  -1.684  -9.969   2.743
  182    HB3  HIS  22           HB3      HIS  22  -1.234  -8.291   2.522
  183    HD2  HIS  22           HD2      HIS  22  -2.601  -6.471   3.786
  184    HE1  HIS  22           HE1      HIS  22  -5.587  -8.977   5.511
  185    HE2  HIS  22           HE2      HIS  22  -4.604  -6.613   5.489
  186    H    ILE  23           H        ILE  23  -4.988  -8.640   0.155
  187    HA   ILE  23           HA       ILE  23  -5.905 -11.447   0.479
  188    HB   ILE  23           HB       ILE  23  -7.259  -8.745   0.363
  189   HG12  ILE  23          HG12      ILE  23  -7.249 -11.062   2.342
  190   HG13  ILE  23          HG13      ILE  23  -6.423  -9.517   2.519
  191   HG21  ILE  23          HG21      ILE  23  -8.707 -11.393   0.122
  192   HG22  ILE  23          HG22      ILE  23  -9.437  -9.775   0.340
  193   HG23  ILE  23          HG23      ILE  23  -8.574 -10.144  -1.144
  194   HD11  ILE  23          HD11      ILE  23  -8.714  -8.395   2.507
  195   HD12  ILE  23          HD12      ILE  23  -9.412 -10.026   2.636
  196   HD13  ILE  23          HD13      ILE  23  -8.342  -9.420   3.908
  197    H    THR  24           H        THR  24  -5.436  -8.932  -2.029
  198    HA   THR  24           HA       THR  24  -6.158 -10.972  -4.108
  199    HB   THR  24           HB       THR  24  -6.463  -9.200  -5.626
  200    HG1  THR  24           HG1      THR  24  -6.172  -7.049  -4.996
  201   HG21  THR  24          HG21      THR  24  -7.741  -8.255  -3.028
  202   HG22  THR  24          HG22      THR  24  -8.303  -7.930  -4.682
  203   HG23  THR  24          HG23      THR  24  -8.360  -9.581  -4.037
  204    H    ASN  25           H        ASN  25  -3.430  -9.408  -2.875
  205    HA   ASN  25           HA       ASN  25  -1.221  -9.613  -3.268
  206    HB2  ASN  25           HB2      ASN  25  -2.028 -11.743  -4.616
  207    HB3  ASN  25           HB3      ASN  25  -1.502 -10.817  -6.009
  208   HD21  ASN  25          HD22      ASN  25   0.794  -9.636  -5.400
  209   HD22  ASN  25          HD21      ASN  25   1.985 -10.857  -4.891
  210    H    ALA  26           H        ALA  26  -3.341  -7.801  -4.901
  211    HA   ALA  26           HA       ALA  26  -1.782  -6.454  -6.888
  212    HB1  ALA  26           HB1      ALA  26  -3.983  -5.276  -5.144
  213    HB2  ALA  26           HB2      ALA  26  -3.439  -4.656  -6.714
  214    HB3  ALA  26           HB3      ALA  26  -4.240  -6.234  -6.625
  215    H    SER  27           H        SER  27  -0.893  -4.217  -6.884
  216    HA   SER  27           HA       SER  27  -0.022  -3.103  -4.283
  217    HB2  SER  27           HB2      SER  27   2.168  -2.504  -5.330
  218    HB3  SER  27           HB3      SER  27   1.963  -4.184  -4.870
  219    HG   SER  27           HG       SER  27   1.439  -3.153  -7.483
  220    H    GLN  28           H        GLN  28  -0.143  -0.883  -4.231
  221    HA   GLN  28           HA       GLN  28  -0.227   0.708  -6.708
  222    HB2  GLN  28           HB2      GLN  28  -2.567   0.104  -6.294
  223    HB3  GLN  28           HB3      GLN  28  -2.476   0.696  -4.633
  224    HG2  GLN  28           HG2      GLN  28  -2.291   2.973  -5.346
  225    HG3  GLN  28           HG3      GLN  28  -1.967   2.518  -7.023
  226   HE21  GLN  28          HE22      GLN  28  -4.384   4.313  -5.759
  227   HE22  GLN  28          HE21      GLN  28  -5.656   3.406  -6.494
  228    H    PHE  29           H        PHE  29   0.626   2.839  -6.311
  229    HA   PHE  29           HA       PHE  29   2.107   3.037  -3.803
  230    HB2  PHE  29           HB2      PHE  29   2.056   4.757  -6.269
  231    HB3  PHE  29           HB3      PHE  29   2.992   5.128  -4.830
  232    HD1  PHE  29           HD2      PHE  29   2.890   1.458  -5.673
  233    HD2  PHE  29           HD1      PHE  29   4.980   5.225  -6.258
  234    HE1  PHE  29           HE2      PHE  29   4.713   0.293  -6.743
  235    HE2  PHE  29           HE1      PHE  29   6.875   3.978  -7.244
  236    HZ   PHE  29           HZ       PHE  29   6.737   1.514  -7.519
  237    H    GLU  30           H        GLU  30  -0.952   4.209  -4.840
  238    HA   GLU  30           HA       GLU  30  -1.210   6.407  -2.970
  239    HB2  GLU  30           HB2      GLU  30  -2.736   5.811  -4.974
  240    HB3  GLU  30           HB3      GLU  30  -3.402   4.549  -3.930
  241    HG2  GLU  30           HG2      GLU  30  -3.856   6.518  -2.245
  242    HG3  GLU  30           HG3      GLU  30  -3.555   7.562  -3.624
  243    H    ARG  31           H        ARG  31  -2.384   6.292  -0.976
  244    HA   ARG  31           HA       ARG  31  -2.086   3.800   0.613
  245    HB2  ARG  31           HB2      ARG  31  -2.997   6.566   1.372
  246    HB3  ARG  31           HB3      ARG  31  -2.645   5.251   2.500
  247    HG2  ARG  31           HG2      ARG  31  -0.417   5.655   2.502
  248    HG3  ARG  31           HG3      ARG  31  -0.341   6.159   0.821
  249    HD2  ARG  31           HD2      ARG  31   0.131   7.913   2.632
  250    HD3  ARG  31           HD3      ARG  31  -0.973   8.369   1.342
  251    HE   ARG  31           HE       ARG  31  -1.743   7.714   4.166
  252   HH11  ARG  31          HH12      ARG  31  -2.754   9.254   1.104
  253   HH12  ARG  31          HH11      ARG  31  -4.423   9.301   1.723
  254   HH21  ARG  31          HH21      ARG  31  -4.098   7.783   4.554
  255   HH22  ARG  31          HH22      ARG  31  -4.940   8.824   3.450
  256    HA   PRO  32           HA       PRO  32  -6.588   3.238  -0.056
  257    HB2  PRO  32           HB2      PRO  32  -5.558   0.881   1.567
  258    HB3  PRO  32           HB3      PRO  32  -7.098   0.968   0.644
  259    HG2  PRO  32           HG2      PRO  32  -5.255   0.181  -0.909
  260    HG3  PRO  32           HG3      PRO  32  -5.876   1.667  -1.350
  261    HD2  PRO  32           HD2      PRO  32  -3.369   1.460   0.269
  262    HD3  PRO  32           HD3      PRO  32  -3.665   2.371  -1.242
  263    H    SER  33           H        SER  33  -4.872   3.030   3.037
  264    HA   SER  33           HA       SER  33  -7.134   3.739   4.690
  265    HB2  SER  33           HB2      SER  33  -5.501   3.825   6.479
  266    HB3  SER  33           HB3      SER  33  -5.188   2.392   5.477
  267    HG   SER  33           HG       SER  33  -3.978   4.919   5.196
  268    H    GLY  34           H        GLY  34  -7.745   5.532   3.216
  269    HA2  GLY  34           HA2      GLY  34  -8.441   7.779   3.663
  270    HA3  GLY  34           HA3      GLY  34  -6.853   8.160   4.325
  271    H1   NAG 101           H1       NAG  35  11.460   2.294  -4.501
  272    H2   NAG 101           H2       NAG  35  12.291   3.335  -7.264
  273    H3   NAG 101           H3       NAG  35   9.509   2.531  -6.263
  274    H4   NAG 101           H4       NAG  35  11.330   1.191  -8.334
  275    H5   NAG 101           H5       NAG  35  10.426   0.321  -5.569
  276    H61  NAG 101           H61      NAG  35  10.617  -1.697  -6.938
  277    H62  NAG 101           H62      NAG  35  12.160  -1.133  -7.612
  278    H81  NAG 101           H2M      NAG  35   9.952   6.929  -5.380
  279    H82  NAG 101           H3M      NAG  35  10.725   7.778  -6.737
  280    H83  NAG 101           H1M      NAG  35  11.712   7.190  -5.381
  281    HN2  NAG 101           H2N      NAG  35  11.194   4.697  -4.943
  282    HO3  NAG 101           H3O      NAG  35  10.179   4.197  -8.200
  283    HO4  NAG 101           H4O      NAG  35   8.975   1.314  -8.489
  284    HO6  NAG 101           H6O      NAG  35  12.867  -1.026  -5.333