*HEADER    ISOMERASE                               07-JUN-13   2M9F              
*TITLE     NMR SOLUTION STRUCTURE OF PIN1 WW DOMAIN MUTANT 5-1G                  
*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, SEE REMARK 999);    
*COMPND   5 SYNONYM: PEPTIDYL-PROLYL CIS-TRANS ISOMERASE PIN1, PPIASE PIN1,      
*COMPND   6 ROTAMASE PIN1;                                                       
*COMPND   7 ENGINEERED: 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    20                                                                    
*AUTHOR    S.ENCK, W.CHEN, J.L.PRICE, E.T.POWERS, C.WONG, H.J.DYSON, J.W.KELLY   
*REVDAT   1   26-JUN-13 2M9F    0                                                


# SEA004  5-residue-turn with GlcNAc

# intra-residue distance restraints

 # HA/H

# 5 GLY HA2 5 GLY H 3.00  # 469 0.4507
# 5 GLY HA3 5 GLY H 3.11  # 470 0.3603
# 6 TRP HA 6 TRP H 2.71  # 472 0.8574
# 7 GLU HA 7 GLU H 3.31  # 473 0.2385
# 8 LYS HA 8 LYS H 3.24  # 474 0.2759
# 9 ARG HA 9 ARG H 2.41  # 475 1.7478 only 004
# 11 PHE HA 11 PHE H 3.30  # 477 0.2459 only 004
# 12 ALA HA 12 ALA H 3.84  # 299 0.0816
# 13 ASN HA 13 ASN H 3.43  # 479 0.1876
# 14 GLY HA2 14 GLY H 2.70  # 480 0.8850 only 004
# 14 GLY HA3 14 GLY H 2.76  # 481 0.7586
# 17 TYR HA 17 TYR H 3.33  # 483 0.2308
# 19 PHE HA 19 PHE H 3.38  # 305 0.2067
# 21 HIS HA 21 HIS H 2.91  # 484 0.5490
# 22 ILE HA 22 ILE H 3.11  # 486 0.3633 only 004
# 23 THR HA 23 THR H 2.83  # 488 0.6633
# 25 ALA HA 25 ALA H 2.92  # 490 0.5348
# 26 SER HA 26 SER H 3.35  # 491 0.2183
# 27 GLN HA 27 GLN H 3.32  # 492 0.2364
# 28 PHE HA 28 PHE H 3.07  # 493 0.3888 003 slight ol
# 29 GLU HA 29 GLU H 3.15  # 495 0.3288 only 004
# 30 ARG HA 30 ARG H 3.18  # 497 0.3086

 # HB/H

6 TRP HB2 6 TRP H 3.50  # 412,414 0.8515
6 TRP HB3 6 TRP H 3.50  # 413,415 1.0064
7 GLU HB2 7 GLU H 4.50  # 416,417 0.2787
8 LYS HB2 8 LYS H 4.00  # 418,420 0.4333
8 LYS HB3 8 LYS H 3.50  # 419,421 0.5737
9 ARG QB 9 ARG H 4.50  # 272 0.3325 2 protons
10 MET HB2 10 MET H 4.00  # 422,423 0.1852
11 PHE HB2 11 PHE H 4.00  # 106,288 0.5040
11 PHE HB3 11 PHE H 4.00  # 107,289 0.3146
12 ALA QB 12 ALA H 4.50  # 296 0.1797
13 ASN HB2 13 ASN H 4.50  # 426 0.0795
13 ASN HB3 13 ASN H 4.50  # 425,427 0.0959
15 THR HB 15 THR H 3.50  # 428 0.7475 only 004
16 VAL HB 16 VAL H 5.00  # 267 0.0402
19 PHE HB3 19 PHE H 4.00  # 85,301 0.4221
19 PHE HB2 19 PHE H 4.00  # 97,303 0.4139
20 ASN HB2 20 ASN H 4.00  # 429,431 0.4028
20 ASN HB3 20 ASN H 4.00  # 430,432 0.6459
22 ILE HB 22 ILE H 3.50  # 433,434 0.7748
26 SER HB2 26 SER H 4.00  # 435 0.2610 only 004
26 SER HB3 26 SER H 4.00  # 436 0.1793 only 004
27 GLN QB 27 GLN H 4.00  # 437 0.3967 2 protons
28 PHE HB2 28 PHE H 4.00  # 282 0.5810
28 PHE HB3 28 PHE H 4.00  # 283 0.3940

 # HB/HA

2 LEU HB2 2 LEU HA 4.00  # 439 0.2353
2 LEU HB3 2 LEU HA 4.00  # 440 0.4080
6 TRP HB2 6 TRP HA 4.00  # 441 0.3275
6 TRP HB3 6 TRP HA 4.00  # 442 0.2678
7 GLU HB2 7 GLU HA 3.50  # 443 0.8812
8 LYS HB2 8 LYS HA 4.00  # 444 0.3548
8 LYS HB3 8 LYS HA 4.00  # 445 0.2091
9 ARG QB 9 ARG HA 4.00  # 446 0.2819 2 protons
10 MET HB2 10 MET HA 4.00  # 447 0.2207
10 MET HB3 10 MET HA 4.00  # 448 0.2469
11 PHE HB2 11 PHE HA 4.50  # 449 0.1193
11 PHE HB3 11 PHE HA 4.00  # 450 0.4378
13 ASN HB2 13 ASN HA 3.50  # 98 0.8618
13 ASN HB3 13 ASN HA 3.50  # 99 0.9215
16 VAL HB 16 VAL HA 4.00  # 451 0.3300
17 TYR HB2 17 TYR HA 3.50  # 452 0.9688
17 TYR HB3 17 TYR HA 4.00  # 453 0.2971
18 TYR HB2 18 TYR HA 4.00  # 454 0.3584
18 TYR HB3 18 TYR HA 3.50  # 455 0.5801
19 PHE HB3 19 PHE HA 4.00  # 84 0.3608
19 PHE HB2 19 PHE HA 4.00  # 438 0.4139
20 ASN HB2 20 ASN HA 4.00  # 456 0.1916
20 ASN HB3 20 ASN HA 4.00  # 457 0.2668
21 HIS HB2 21 HIS HA 3.50  # 459 0.8348
22 ILE HB 22 ILE HA 4.00  # 460 0.3853
24 ASN HB2 24 ASN HA 3.50  # 461 0.5463
26 SER QB 26 SER HA 4.00  # 121 0.4577 2 protons
26 SER HB3 26 SER HA 4.00  # 125 0.4641 only 004
27 GLN QB 27 GLN HA 3.50  # 463 0.7896 2 protons
28 PHE HB2 28 PHE HA 3.50  # 464 0.6204 only 004
28 PHE HB3 28 PHE HA 3.50  # 465 0.6506
29 GLU HB2 29 GLU HA 3.50  # 466 0.6767
29 GLU HB3 29 GLU HA 3.50  # 467 0.6454
30 ARG QB 30 ARG HA 4.00  # 468 0.4559 2 protons

 # others

9 ARG HG2 9 ARG H 4.50  # 276 0.3268
9 ARG HG3 9 ARG H 4.50  # 277 0.0553
11 PHE QD 11 PHE H 4.00  # 220,294 0.3527 only 004
11 PHE QD 11 PHE HA 3.50  # 214 0.8018 only 004
34 0YB H3 34 0YB CME 5.00  # 74,109 0.1313
34 0YB H2 34 0YB CME 5.00  # 75 0.1549
34 0YB H2N 34 0YB CME 4.50  # 77,238 1.0829
34 0YB H5 34 0YB H61 3.50  # 78,86 0.8953
34 0YB H5 34 0YB H62 3.50  # 79,102 1.3899
34 0YB H5 34 0YB H2N 4.80  # 83,239 0.1044
34 0YB H4 34 0YB H61 4.50  # 87,114 0.1238
34 0YB H3 34 0YB H2N 3.50  # 112,240 0.4851
34 0YB H4 34 0YB H2N 4.80  # 115,241 0.1175
34 0YB H2 34 0YB H2N 4.00  # 118,242 0.3040
34 0YB H2 13 ASN HD21 4.00  # 119 0.2135
15 THR QG2 15 THR H 5.00  # 244 0.1440
16 VAL QG1 16 VAL H 5.00  # 262 0.1777
16 VAL QG2 16 VAL H 4.50  # 263 0.6635
17 TYR QD 17 TYR H 4.00  # 169,269 0.4026
17 TYR QE 17 TYR H 5.00  # 152,270 0.0611 very weak
17 TYR HB2 17 TYR QD 4.00  # 89 0.8733
17 TYR HB3 17 TYR QD 3.50  # 90 0.9231
18 TYR QD 18 TYR H 4.00  # 381 0.4321
18 TYR QE 18 TYR H 5.00  # 380 0.1896
18 TYR QD 18 TYR HA 3.50  # 375 0.5235
18 TYR QE 18 TYR HA 5.60  # 374 0.2061
19 PHE QD 19 PHE H 5.00  # 190,309 0.1910
28 PHE HB2 28 PHE QD 4.00  # 100,227 0.4884
28 PHE HB3 28 PHE QD 4.00  # 101,228 0.4255
28 PHE QD 28 PHE H 4.00  # 232,284 0.2235
28 PHE QE 28 PHE HA 5.00  # 198 0.4711 003 very weak
28 PHE HB2 28 PHE QE 5.00  # 201 0.1659 only 004
28 PHE HB3 28 PHE QE 5.00  # 202 0.1011 only 004

# sequential distance restraints

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

6 TRP H 7 GLU H 5.00  # 13,14 0.3939 calibration peak
7 GLU H 8 LYS H 4.50  # 15,16 0.0572 calibration peak
8 LYS H 9 ARG H 5.00  # 17,18 0.0950 calibration peak
9 ARG H 10 MET H 5.00  # 19,20 0.0620 calibration peak
13 ASN H 14 GLY H 4.50  # 236,260 0.1476
14 GLY H 15 THR H 4.00  # 249,261 0.4372
15 THR H 16 VAL H 5.00  # 271 0.0554
17 TYR H 18 TYR H 5.00  # 21,22 0.0636 calibration peak
19 PHE H 20 ASN H 5.00  # 25,26 0.0513 calibration peak
25 ALA H 26 SER H 5.00  # 27,28 0.0891 calibration peak, very weak
27 GLN H 28 PHE H 5.00  # 29,30 0.0614 only 004
28 PHE H 29 GLU H 4.00  # 285 0.5643

# HA/H

5 GLY HA3 6 TRP H 4.00  # 471 0.1697
6 TRP HA 7 GLU H 3.00  # 1 1.1636 calibration peak
7 GLU HA 8 LYS H 3.00  # 2 1.6167 calibration peak
8 LYS HA 9 ARG H 3.00  # 3 1.3967 calibration peak, 004 slight ol
9 ARG HA 10 MET H 3.00  # 4 1.3160 calibration peak
10 MET HA 11 PHE H 3.00  # 476 1.1455
11 PHE HA 12 ALA H 4.00  # 478 0.3094 only 004
12 ALA HA 13 ASN H 4.50  # 235 0.0630 only 004
13 ASN HA 14 GLY H 4.00  # 259 0.3415
14 GLY HA2 15 THR H 4.00  # 130 0.1696
15 THR HA 16 VAL H 3.00  # 132 1.5592 
16 VAL HA 17 TYR H 3.00  # 5 1.2017 calibration peak, 004 slight ol
17 TYR HA 18 TYR H 3.00  # 6 0.7504 calibration peak ol?
18 TYR HA 19 PHE H 3.00  # 7 1.2207 calibration peak
19 PHE HA 20 ASN H 3.00  # 8 1.1502 calibration peak
21 HIS HA 22 ILE H 4.00  # 485 0.2385
22 ILE HA 23 THR H 4.00  # 487 0.1465
24 ASN HA 25 ALA H 4.00  # 489 0.4943 only 004
25 ALA HA 26 SER H 3.00  # 9 1.9827 calibration peak
26 SER HA 27 GLN H 3.00  # 10,11 1.0665 calibration peak
27 GLN HA 28 PHE H 3.00  # 12 1.0996 calibration peak, near H2O line
28 PHE HA 29 GLU H 4.00  # 494 0.1016
29 GLU HA 30 ARG H 3.00  # 496 1.5754
31 PRO HA 32 SER H 3.00  # 500 1.3426
32 SER HA 33 GLY H 3.50  # 501 0.8160

# HA/HA

# --

# HB/H

9 ARG QB 10 MET H 5.00  # 53,251 0.2811 2 protons
10 MET HB2 11 PHE H 4.50  # 70,286 0.1034
10 MET HB3 11 PHE H 4.50  # 71,287 0.0951
11 PHE HB2 12 ALA H 4.50  # 297 0.0402
11 PHE HB3 12 ALA H 4.50  # 298 0.0663
12 ALA QB 13 ASN H 5.00  # 61,233 0.1361
13 ASN HB2 14 GLY H 4.50  # 256 0.0436 only 004
13 ASN HB3 14 GLY H 5.00  # 257 0.0391
15 THR HB 16 VAL H 4.50  # 133 0.1294
16 VAL HB 17 TYR H 4.50  # 268 0.2071
18 TYR HB2 19 PHE H 4.50  # 302 0.1289
19 PHE HB2 20 ASN H 4.50  # 96 0.1045
26 SER QB 27 GLN H 4.00  # 128,310 0.1964 003 2 protons
26 SER HB3 27 GLN H 4.50  # 129,311 0.2171 only 004
31 PRO HB3 32 SER H 4.00  # 329 0.1221
31 PRO HB2 32 SER H 4.00  # 330 0.1294

 # HB/HA

# 12 ALA QB 13 ASN HA 5.04  # 60 0.0522

 # SC/SC

# 2 LEU QD1 3 PRO HD2 5.12  # 333 0.0436 ol HE?
# 2 LEU QD1 3 PRO HD3 5.26  # 334 0.0304
# 11 PHE HB3 12 ALA QB 4.89  # 117 0.0734
# 11 PHE QD 12 ALA QB 4.94  # 205 0.0654 only 004
# 16 VAL QG1 17 TYR QD 5.01  # 58,154 0.0565
# 16 VAL QG2 17 TYR QD 5.10  # 59,155 0.0457
# 21 HIS HD2 22 ILE QD1 4.52  # 195 0.1570
# 22 ILE QG2 23 THR HB 5.27  # 320 0.0293
# 30 ARG QB 31 PRO HD3 4.34  # 356 0.2241
# 30 ARG QB 31 PRO HD3 4.58  # 357 0.1379
# 30 ARG HG2 31 PRO HD3 3.60  # 352 0.1329
# 30 ARG HG2 31 PRO HD2 3.77  # 353 0.0931
# 30 ARG HG3 31 PRO HD3 3.28  # 354 0.2515
# 31 PRO HD3 30 ARG HA 2.41  # 498 1.7689
# 31 PRO HD2 30 ARG HA 2.56  # 499 1.2136

# others

8 LYS QG 9 ARG H 4.50  # 275 0.1999 2 protons
11 PHE QD 12 ALA H 5.00  # 221 0.0676 only 004
11 PHE QD 10 MET HA 5.00  # 216 0.0619 only 004
15 THR QG2 16 VAL H 5.00  # 65,266 0.3668
# 16 VAL QG1 15 THR HA 6.00  # 54 0.0513
16 VAL QG2 15 THR HA 5.00  # 55 0.3644
16 VAL QG1 17 TYR H 5.00  # 264 0.4349
16 VAL QG2 17 TYR H 4.50  # 265 0.2478
17 TYR QD 16 VAL HA 4.00  # 161 0.2441
17 TYR QD 18 TYR HA 4.50  # 163 0.0694
18 TYR QD 19 PHE H 5.00  # 308 0.1305
21 HIS HD2 22 ILE H 4.50  # 197 0.0834
21 HIS HD2 22 ILE HA 4.50  # 196 0.0705
22 ILE QG2 23 THR HA 5.00  # 319 0.1798
27 GLN QG 28 PHE H 5.00  # 280 0.4615 only 004, 2 protons
28 PHE QD 29 GLU H 5.40  # 230,254 0.0518
31 PRO HG2 32 SER H 5.00  # 318 0.0302


# long-range distances on turn side

 # BB/BB

# 11 PHE H 13 ASN HA 6.00  # 291 0.2707
11 PHE H 17 TYR H 5.40  # 295 0.0795 only 004
12 ALA HA 14 GLY H 4.50  # 258 0.0638
19 PHE HA 26 SER HA 4.00  # 31,32 0.5673 calibration peak

 # SC/BB

7 GLU HB2 19 PHE H 5.40  # 300 0.0692
9 ARG H 16 VAL QG1 5.00  # 273 0.1218
9 ARG H 16 VAL QG2 5.60  # 274 0.1525 slight ol
9 ARG H 17 TYR QD 5.00  # 170 0.0506
9 ARG H 18 TYR QD 5.00  # 278 0.0944
9 ARG H 18 TYR QE 5.40  # 279 0.0456
10 MET HA 16 VAL QG1 5.60  # 56 0.0743
10 MET HA 16 VAL QG2 5.00  # 57 0.1023
10 MET HA 17 TYR QD 4.00  # 162 0.2871 003 ol
10 MET H 17 TYR QE 4.50  # 150 0.0911
10 MET HA 17 TYR QE 4.00  # 146 0.1416 only 004
11 PHE H 15 THR HB 5.00  # 290 0.0816
11 PHE H 17 TYR QD 4.50  # 172,293 0.2639 003 ol
11 PHE H 17 TYR QE 4.00  # 151,292 0.1409
11 PHE HA 34 0YB H3 6.00  # 110 0.1241
11 PHE HA 17 TYR QE 4.00  # 145 0.2829 only 004
11 PHE HB3 13 ASN H 4.50  # 234 0.0911 only 004
11 PHE HB3 15 THR H 4.50  # 116,245 0.0735
11 PHE QD 15 THR HA 5.00  # 212 0.0780 only 004
12 ALA QB 14 GLY H 5.60  # 255 0.0558
15 THR H 17 TYR QE 6.00  # 247 0.0715 only 004
17 TYR QD 18 TYR H 4.00  # 171 0.4665 003 ol
17 TYR QD 19 PHE HA 4.50  # 164 0.0783
17 TYR QD 26 SER HA 4.00  # 165 0.1436
17 TYR QD 27 GLN H 4.00  # 173,312 0.1727
17 TYR QE 19 PHE H 5.50  # 307 0.0469
17 TYR QE 19 PHE HA 4.50  # 134,135 0.1109 only 004
19 PHE HA 26 SER HB2 4.50  # 126 0.0859 only 004
19 PHE HA 26 SER HB3 4.50  # 127 0.1009 only 004
19 PHE HB2 26 SER HA 4.50  # 95 0.0953
19 PHE HZ 24 ASN H 4.50  # 204 0.2778

 # SC/SC

9 ARG QB 17 TYR QD 5.00  # 153 0.0994 2 protons
9 ARG QB 17 TYR QE 5.00  # 52,136 0.1929 2 protons, 004 stronger
9 ARG QB 19 PHE QD 6.00  # 179 0.0863 2 protons
9 ARG HG2 17 TYR QD 4.50  # 156 0.1243
9 ARG HG2 17 TYR QE 4.00  # 137 0.3852 only 004
9 ARG HG3 17 TYR QE 4.00  # 138 0.0894 only 004
9 ARG HG2 19 PHE QD 5.00  # 178 0.0505
9 ARG HD2 17 TYR QE 5.00  # 93,141 0.1183 only 004
9 ARG HD3 17 TYR QE 5.60  # 142 0.1278 only 004
11 PHE QD 34 0YB H3 5.00  # 111,211 0.0633
11 PHE QD 17 TYR QD 4.00  # 166,218 0.2863
11 PHE HB2 15 THR HB 4.00  # 104 0.1967
11 PHE HB3 15 THR HB 4.00  # 105 0.1956
11 PHE QD 34 0YB H1 4.00  # 215 0.3949
11 PHE QD 34 0YB H5 4.00  # 82,207 0.2666
11 PHE QD 34 0YB H61 4.00  # 88,208 0.1513
11 PHE QD 34 0YB H62 4.50  # 103,210 0.1363 slight ol
11 PHE QD 15 THR HB 3.50  # 213 0.8367 only 004
11 PHE QD 15 THR QG2 5.00  # 68,208 0.2889 only 004
11 PHE QD 17 TYR HB3 4.50  # 209 0.0844 only 004
11 PHE QD 17 TYR QE 4.00  # 149,217 0.1437 only 004
11 PHE QD 28 PHE QE 4.00  # 219 0.1697 only 004
11 PHE QE 34 0YB H5 4.00  # 81,192 0.1938 only 004
11 PHE QE 15 THR HB 5.00  # 193 0.0660 only 004
11 PHE QE 15 THR QG2 5.00  # 191 0.1318 only 004
11 PHE QE 17 TYR QE 5.00  # 194 0.0745 only 004
11 PHE QE 28 PHE QD 5.60  # 231 0.0567 only 004
11 PHE HZ 34 0YB H5 4.50  # 174 0.0551 only 004
11 PHE HZ 34 0YB H61 5.20  # 175 0.0704 only 004
11 PHE HZ 34 0YB H62 4.50  # 176 0.0492 only 004
11 PHE HZ 28 PHE QE 5.00  # 177,203 0.0875 only 004
11 PHE HZ 28 PHE HZ 5.00  # 223 0.0417 only 004
34 0YB H2N 15 THR HB 4.50  # 243 0.0979
34 0YB H2N 15 THR QG2 5.00  # 69,237 0.1244
34 0YB CME 15 THR HB 5.60  # 76 0.0378
34 0YB CME 15 THR QG2 5.60  # 72,73 0.2902
34 0YB H3 15 THR QG2 5.00  # 66,108 0.1526
34 0YB H4 15 THR QG2 6.00  # 113 0.0648
34 0YB H5 15 THR HB 4.50  # 80 0.1330
15 THR QG2 17 TYR QD 5.60  # 67,157 0.0612
15 THR QG2 28 PHE QD 5.00  # 64,224 0.2566
15 THR QG2 28 PHE QE 5.00  # 63,199 0.3259
15 THR QG2 28 PHE HZ 5.60  # 62,222 0.0809
17 TYR HB2 28 PHE QD 4.00  # 91,225 0.1436
17 TYR HB3 28 PHE QD 4.00  # 92,226 0.2326 only 004
17 TYR HB3 28 PHE QE 4.00  # 200 0.1334
17 TYR QD 19 PHE HB3 5.60  # 158 0.0892
17 TYR QD 26 SER QB 4.00  # 122,159 0.2305 003 2 protons
17 TYR QD 26 SER HB3 4.00  # 124,160 0.2804 only 004
17 TYR QD 28 PHE QD 5.40  # 168,229 0.0591 only 004
17 TYR QD 28 PHE QE 4.50  # 167 0.0853 only 004
17 TYR QE 19 PHE QD 4.00  # 147,188 0.3808
17 TYR QE 19 PHE QE 5.40  # 148,189 0.0608 only 004
17 TYR QE 19 PHE HB3 4.50  # 139 0.4968 only 004
17 TYR QE 19 PHE HB2 4.00  # 94,140 0.5111 004 stronger
17 TYR QE 26 SER QB 4.50  # 120,143 0.0856 003 2 protons
17 TYR QE 26 SER HB3 4.00  # 123,144 0.1072 only 004
19 PHE QD 21 HIS HB3 4.00  # 180 0.3979
19 PHE QD 21 HIS HB2 4.50  # 181 0.1138
19 PHE QD 26 SER HB2 4.00  # 184 0.1433 only 004
19 PHE QD 26 SER HB3 4.00  # 185 0.3011 only 004
19 PHE QE 21 HIS HB3 4.00  # 182 0.5780
19 PHE QE 21 HIS HB2 4.00  # 183 0.2606
19 PHE QE 26 SER HB2 6.00  # 186 0.0576 only 004
19 PHE QE 26 SER HB3 4.50  # 187 0.0901 only 004


# long-range distances on beta sheet side

 # BB/BB

7 GLU H 19 PHE H 4.00  # 40,41 0.2841 calibration peak
7 GLU H 20 ASN HA 4.00  # 33 0.2583 calibration peak
8 LYS HA 19 PHE H 4.50  # 36 0.1199 calibration peak
9 ARG H 17 TYR H 4.00  # 42,43 0.1696 calibration peak
9 ARG H 18 TYR HA 4.00  # 35 0.2495 calibration peak
9 ARG H 19 PHE H 4.50  # 44,45 0.0568 calibration peak
18 TYR H 27 GLN H 4.00  # 46,47 0.2037 calibration peak, 003 slight ol
19 PHE HA 27 GLN H 4.00  # 39 0.1308 calibration peak
20 ASN H 26 SER HA 4.00  # 37,38 0.2075 calibration peak

 # SC/BB

# 4 PRO HA 22 ILE QD1 6.00  # 323 0.0343
5 GLY H 22 ILE QD1 5.60  # 331 0.0127 004 vw
5 GLY HA2 22 ILE QD1 5.00  # 321 0.2311
5 GLY HA3 22 ILE QD1 5.00  # 322 0.2852
6 TRP H 2 LEU QD1 6.00  # 341 0.0781
# 6 TRP HA 2 LEU QD2 5.60  # 337 0.0806 only 004
6 TRP HA 2 LEU QD1 6.00  # 338 0.0820
# 7 GLU H 2 LEU QD1 6.00  # 342 0.0764
# 7 GLU HA 2 LEU QD2 5.00  # 335 0.1575
7 GLU HA 2 LEU QD1 6.00  # 336 0.5095
8 LYS H 18 TYR QD 4.50  # 379 0.0687
# 8 LYS H 18 TYR QE 4.50  # 378 0.1173
# 19 PHE H 6 TRP HE3 4.00  # 405 0.2234
# 19 PHE HA 6 TRP HE3 4.50  # 403 0.0726
# 20 ASN H 6 TRP HE3 4.00  # 404 0.2516
20 ASN H 25 ALA QB 5.60  # 348 0.0777
25 ALA H 20 ASN HB2 4.00  # 382 0.2332
25 ALA H 20 ASN HB3 4.00  # 383 0.4822
# 27 GLN H 6 TRP HH2 4.50  # 393 0.0801
30 ARG H 18 TYR QD 5.60  # 377 0.0391

 # SC/SC

2 LEU HG 18 TYR QE 5.60  # 369 0.2079
2 LEU QD2 18 TYR QD 5.00  # 325,363 0.4965
2 LEU QD2 18 TYR QE 5.50  # 324,362 0.8334
2 LEU QD1 6 TRP HB3 5.00  # 332 0.1586
2 LEU QD1 18 TYR QD 4.50  # 340 0.5219
2 LEU QD1 18 TYR QE 5.60  # 339 0.4457
# 3 PRO HB2 6 TRP HD1 4.00  # 389 0.3532
# 3 PRO HG3 6 TRP HD1 4.80  # 350,388 0.1755
# 3 PRO HG2 6 TRP HD1 4.00  # 351 0.5777
# 3 PRO HD3 31 PRO HG2 6.00  # 317 0.0876
# 4 PRO HD2 6 TRP HD1 5.40  # 390 0.0618
# 4 PRO HD3 6 TRP HD1 6.00  # 391 0.0446
# 6 TRP HE1 3 PRO HB2 5.60  # 408 0.0338
# 6 TRP HE1 3 PRO HB3 5.00  # 411 0.0358
# 6 TRP HE1 3 PRO HG3 5.00  # 409 0.0484
# 6 TRP HE1 31 PRO HB3 5.60  # 406 0.0315
# 6 TRP HE1 31 PRO HB2 5.60  # 407 0.0641
# 6 TRP HD1 31 PRO HB2 5.00  # 326 0.0700
# 6 TRP HD1 31 PRO HG3 5.00  # 315 0.0614
# 6 TRP HE3 18 TYR QD 4.50  # 376 0.2013
# 6 TRP HE3 31 PRO HG3 4.50  # 316,395 0.1188
# 6 TRP HE3 31 PRO HG2 5.60  # 397 0.0347
# 6 TRP HE3 31 PRO HD3 5.40  # 402 0.1257
# 6 TRP HZ3 25 ALA QB 5.60  # 345,387 0.1086
# 6 TRP HH2 20 ASN HB2 4.50  # 384 0.0984
# 6 TRP HH2 20 ASN HB3 6.00  # 385 0.0809
# 6 TRP HH2 25 ALA QB 5.00  # 346,386 0.3081
# 6 TRP HZ2 25 ALA QB 5.00  # 401 0.1083
# 6 TRP HZ2 20 ASN HB2 4.50  # 394 0.1285
# 6 TRP HZ2 25 ALA QB 6.00  # 347 0.0584
# 6 TRP HZ2 31 PRO HB3 5.60  # 327,399 0.1495
# 6 TRP HZ2 31 PRO HB2 6.00  # 328,400 0.1125
# 6 TRP HZ2 31 PRO HG3 6.00  # 396 0.0902
# 6 TRP HZ2 31 PRO HG2 6.00  # 398 0.0391
18 TYR QD 30 ARG QB 5.00  # 368 0.1561 2 protons
18 TYR QE 30 ARG QB 5.00  # 367 0.3067 2 protons
18 TYR QE 30 ARG HG3 4.50  # 366 0.0790
18 TYR QD 31 PRO HG3 5.00  # 314,360 0.0456
18 TYR QD 31 PRO HG2 5.40  # 361 0.0251
18 TYR QE 31 PRO HG3 6.00  # 313 0.0492
18 TYR QD 31 PRO HD3 4.00  # 359,371 0.2232
18 TYR QE 31 PRO HD3 4.50  # 358,370 0.1610
20 ASN HB2 25 ALA QB 5.00  # 343 0.1968
23 THR HB 25 ALA QB 5.00  # 392 0.1719
23 THR HG1 25 ALA QB 5.00  # 344 0.3017 yes it is the OH


# Hydrogen bonding restraints SEA004  5-residue-turn with GlcNAc


# Hbonds.lol  (lol = lower distance limit)

# 6 TRP  H     3 PRO  O          1.80     # -0.3  OK
# 6 TRP  N     3 PRO  O          2.70     # -0.3
# 7 GLU  H    19 PHE  O          1.80     # -2.6  PDB: big angle
# 7 GLU  N    19 PHE  O          2.70     # -2.6
# 9 ARG  H    17 TYR  O          1.80     # -4.2  high! ar? +0.40
# 9 ARG  N    17 TYR  O          2.70     # -4.2
# 11 PHE  H   15 THR  O          1.80     # -3.4  high! ar? +0.40
# 11 PHE  N   15 THR  O          2.70     # -3.4
# 14 GLY  H   11 PHE  O          1.80     # -3.8  bridged with THR15 +0.40
# 14 GLY  N   11 PHE  O          2.70     # -3.8
# 15 THR  H   11 PHE  O          1.80     # -4.7  bridged with GLY14 +0.80
# 15 THR  N   11 PHE  O          2.70     # -4.7
# 17 TYR  H    9 ARG  O          1.80     # -0.8  OK but long in pdb +0.30
# 17 TYR  N    9 ARG  O          2.70     # -0.8
# 18 TYR  H   27 GLN  O          1.80     # -4.8  C-terminal mobility or Ar sc? +0.30
# 18 TYR  N   27 GLN  O          2.70     # -4.8
# 19 PHE  H    7 GLU  O          1.80     # -1.9  OK
# 19 PHE  N    7 GLU  O          2.70     # -1.9
# 20 ASN  H   25 ALA  O          1.80     # -4.0  high! ar? +0.30
# 20 ASN  N   25 ALA  O          2.70     # -4.0
# 21 HIS  H    5 GLY  O          1.80     # -1.6  PDB: big angle +0.30
# 21 HIS  N    5 GLY  O          2.70     # -1.6
# 22 ILE  H   20 ASN  OD1        1.80     # -4.5  bridged with THR23 +0.30
# 22 ILE  N   20 ASN  OD1        2.70     # -4.5
# 23 THR  H   20 ASN  OD1        1.80     # -1.7  bridged with ILE22 +0.30
# 23 THR  N   20 ASN  OD1        2.70     # -1.7
# 24 ASN  H   20 ASN  O          1.80     # -2.7  PDB: big angle +0.30
# 24 ASN  N   20 ASN  O          2.70     # -2.7
# 25 ALA  H   23 THR  OG1        1.80     # -2.7  OK +0.20
# 25 ALA  N   23 THR  OG1        2.70     # -2.7
# 27 GLN  H   18 TYR  O          1.80     # -2.7  but present in PDB. Ar sc? +0.40
# 27 GLN  N   18 TYR  O          2.70     # -2.7
# 28 PHE  H   29 GLU  OE1        1.80     # -2.6  OK +0.30
# 28 PHE  N   29 GLU  OE1        2.70     # -2.6


# Hbonds.upl  (upl = upper distance limit)

6 TRP  H     3 PRO  O          2.50     # -0.3  OK
6 TRP  N     3 PRO  O          3.60     # -0.3
7 GLU  H    19 PHE  O          2.20     # -2.6  PDB: big angle
7 GLU  N    19 PHE  O          3.00     # -2.6
9 ARG  H    17 TYR  O          2.40     # -4.2  high! ar? +0.40
9 ARG  N    17 TYR  O          3.40     # -4.2
11 PHE  H   15 THR  O          2.40     # -3.4  high! ar? +0.40
11 PHE  N   15 THR  O          3.40     # -3.4
14 GLY  H   11 PHE  O          2.40     # -3.8  bridged with THR15 +0.40
14 GLY  N   11 PHE  O          3.40     # -3.8
15 THR  H   11 PHE  O          3.20     # -4.7  bridged with GLY14 +0.80
15 THR  N   11 PHE  O          3.80     # -4.7
17 TYR  H    9 ARG  O          2.30     # -0.8  OK but long in pdb +0.30
17 TYR  N    9 ARG  O          3.30     # -0.8
18 TYR  H   27 GLN  O          2.30     # -4.8  C-terminal mobility or Ar sc? +0.30
18 TYR  N   27 GLN  O          3.30     # -4.8
19 PHE  H    7 GLU  O          2.20     # -1.9  OK
19 PHE  N    7 GLU  O          3.00     # -1.9
20 ASN  H   25 ALA  O          2.30     # -4.0  high! ar? +0.30
20 ASN  N   25 ALA  O          3.30     # -4.0
21 HIS  H    5 GLY  O          2.30     # -1.6  PDB: big angle +0.30
21 HIS  N    5 GLY  O          3.30     # -1.6
22 ILE  H   20 ASN  OD1        2.30     # -4.5  bridged with THR23 +0.30
22 ILE  N   20 ASN  OD1        3.30     # -4.5
23 THR  H   20 ASN  OD1        2.30     # -1.7  bridged with ILE22 +0.30
23 THR  N   20 ASN  OD1        3.30     # -1.7
24 ASN  H   20 ASN  O          2.30     # -2.7  PDB: big angle +0.30
24 ASN  N   20 ASN  O          3.30     # -2.7
25 ALA  H   23 THR  OG1        2.20     # -2.7  OK +0.20
25 ALA  N   23 THR  OG1        3.20     # -2.7
27 GLN  H   18 TYR  O          2.40     # -2.7  but present in PDB. Ar sc? +0.40
27 GLN  N   18 TYR  O          3.40     # -2.7
# 28 PHE  H   29 GLU  OE1        2.30     # -2.6  OK +0.30
# 28 PHE  N   29 GLU  OE1        3.30     # -2.6


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   LYS   1           H1       LYS   1  -7.091   1.416  -1.869
    2    H2   LYS   1           H2       LYS   1  -7.486   2.996  -2.141
    3    H3   LYS   1           H3       LYS   1  -6.819   2.122  -3.335
    4    HA   LYS   1           HA       LYS   1  -9.504   1.700  -2.206
    5    HB2  LYS   1           HB2      LYS   1  -8.579   2.554  -4.978
    6    HB3  LYS   1           HB3      LYS   1 -10.240   2.121  -4.555
    7    HG2  LYS   1           HG2      LYS   1 -10.385   3.916  -2.927
    8    HG3  LYS   1           HG3      LYS   1  -8.694   4.349  -3.142
    9    HD2  LYS   1           HD2      LYS   1 -10.845   4.553  -5.288
   10    HD3  LYS   1           HD3      LYS   1 -10.275   5.888  -4.295
   11    HE2  LYS   1           HE2      LYS   1  -8.609   4.318  -6.313
   12    HE3  LYS   1           HE3      LYS   1  -9.280   5.938  -6.534
   13    HZ1  LYS   1           HZ1      LYS   1  -7.152   5.117  -4.638
   14    HZ2  LYS   1           HZ2      LYS   1  -7.018   6.161  -5.885
   15    HZ3  LYS   1           HZ3      LYS   1  -7.895   6.596  -4.557
   16    H    LEU   2           H        LEU   2  -7.194   0.504  -4.669
   17    HA   LEU   2           HA       LEU   2  -6.447  -1.469  -5.200
   18    HB2  LEU   2           HB2      LEU   2  -7.999  -2.647  -2.889
   19    HB3  LEU   2           HB3      LEU   2  -6.716  -3.411  -3.786
   20    HG   LEU   2           HG       LEU   2  -6.468  -1.009  -1.940
   21   HD11  LEU   2          HD11      LEU   2  -5.204  -3.776  -1.887
   22   HD12  LEU   2          HD12      LEU   2  -5.034  -2.510  -0.665
   23   HD13  LEU   2          HD13      LEU   2  -6.609  -3.283  -0.921
   24   HD21  LEU   2          HD21      LEU   2  -4.051  -1.095  -2.393
   25   HD22  LEU   2          HD22      LEU   2  -4.325  -2.256  -3.709
   26   HD23  LEU   2          HD23      LEU   2  -4.944  -0.590  -3.812
   27    HA   PRO   3           HA       PRO   3  -9.681  -3.358  -7.744
   28    HB2  PRO   3           HB2      PRO   3  -7.309  -4.466  -9.192
   29    HB3  PRO   3           HB3      PRO   3  -8.708  -3.575  -9.845
   30    HG2  PRO   3           HG2      PRO   3  -6.243  -2.411  -9.628
   31    HG3  PRO   3           HG3      PRO   3  -7.755  -1.492  -9.338
   32    HD2  PRO   3           HD2      PRO   3  -5.878  -2.694  -7.297
   33    HD3  PRO   3           HD3      PRO   3  -6.686  -1.101  -7.312
   34    HA   PRO   4           HA       PRO   4  -9.684  -7.661  -6.391
   35    HB2  PRO   4           HB2      PRO   4  -9.405  -8.509  -9.282
   36    HB3  PRO   4           HB3      PRO   4 -10.497  -9.159  -8.018
   37    HG2  PRO   4           HG2      PRO   4 -11.449  -7.409  -9.844
   38    HG3  PRO   4           HG3      PRO   4 -11.883  -7.205  -8.114
   39    HD2  PRO   4           HD2      PRO   4  -9.773  -5.742  -9.711
   40    HD3  PRO   4           HD3      PRO   4 -10.961  -5.086  -8.541
   41    H    GLY   5           H        GLY   5  -8.119  -8.842  -5.460
   42    HA2  GLY   5           HA2      GLY   5  -6.322 -10.295  -5.329
   43    HA3  GLY   5           HA3      GLY   5  -5.818  -9.840  -6.956
   44    H    TRP   6           H        TRP   6  -6.083  -6.867  -5.510
   45    HA   TRP   6           HA       TRP   6  -3.217  -6.697  -4.907
   46    HB2  TRP   6           HB2      TRP   6  -5.466  -4.678  -5.059
   47    HB3  TRP   6           HB3      TRP   6  -3.793  -4.293  -4.704
   48    HD1  TRP   6           HD1      TRP   6  -5.946  -5.665  -7.579
   49    HE1  TRP   6           HE1      TRP   6  -4.897  -4.977  -9.821
   50    HE3  TRP   6           HE3      TRP   6  -1.586  -3.635  -5.838
   51    HZ2  TRP   6           HZ2      TRP   6  -2.507  -3.669 -10.737
   52    HZ3  TRP   6           HZ3      TRP   6   0.072  -2.735  -7.425
   53    HH2  TRP   6           HH2      TRP   6  -0.375  -2.702  -9.863
   54    H    GLU   7           H        GLU   7  -2.360  -6.669  -2.858
   55    HA   GLU   7           HA       GLU   7  -4.085  -5.969  -0.546
   56    HB2  GLU   7           HB2      GLU   7  -4.158  -8.457  -1.270
   57    HB3  GLU   7           HB3      GLU   7  -2.518  -8.560  -0.686
   58    HG2  GLU   7           HG2      GLU   7  -4.951  -7.701   0.956
   59    HG3  GLU   7           HG3      GLU   7  -4.350  -9.356   0.867
   60    H    LYS   8           H        LYS   8  -2.673  -5.786   1.547
   61    HA   LYS   8           HA       LYS   8  -0.695  -3.779   0.929
   62    HB2  LYS   8           HB2      LYS   8  -2.482  -3.809   2.741
   63    HB3  LYS   8           HB3      LYS   8  -1.522  -5.020   3.585
   64    HG2  LYS   8           HG2      LYS   8   0.349  -3.387   3.786
   65    HG3  LYS   8           HG3      LYS   8  -0.600  -2.186   2.893
   66    HD2  LYS   8           HD2      LYS   8  -2.372  -2.318   4.695
   67    HD3  LYS   8           HD3      LYS   8  -1.353  -3.482   5.551
   68    HE2  LYS   8           HE2      LYS   8  -0.829  -1.504   6.643
   69    HE3  LYS   8           HE3      LYS   8   0.491  -1.667   5.474
   70    HZ1  LYS   8           HZ1      LYS   8  -0.901  -0.141   4.011
   71    HZ2  LYS   8           HZ2      LYS   8  -1.892   0.118   5.279
   72    HZ3  LYS   8           HZ3      LYS   8  -0.329   0.565   5.393
   73    H    ARG   9           H        ARG   9   1.468  -3.727   1.237
   74    HA   ARG   9           HA       ARG   9   2.977  -5.943   2.501
   75    HB2  ARG   9           HB2      ARG   9   3.602  -4.715  -0.199
   76    HB3  ARG   9           HB3      ARG   9   4.587  -5.930   0.612
   77    HG2  ARG   9           HG2      ARG   9   1.906  -6.318  -0.717
   78    HG3  ARG   9           HG3      ARG   9   3.476  -6.876  -1.248
   79    HD2  ARG   9           HD2      ARG   9   3.338  -8.784  -0.172
   80    HD3  ARG   9           HD3      ARG   9   3.162  -7.955   1.364
   81    HE   ARG   9           HE       ARG   9   0.796  -8.042   1.216
   82   HH11  ARG   9          HH21      ARG   9   2.143  -9.774  -1.562
   83   HH12  ARG   9          HH22      ARG   9   0.673 -10.733  -1.719
   84   HH21  ARG   9          HH11      ARG   9  -0.982  -9.414   0.950
   85   HH22  ARG   9          HH12      ARG   9  -0.993 -10.467  -0.468
   86    H    MET  10           H        MET  10   5.464  -5.174   2.417
   87    HA   MET  10           HA       MET  10   5.865  -2.324   2.379
   88    HB2  MET  10           HB2      MET  10   6.553  -1.998   4.626
   89    HB3  MET  10           HB3      MET  10   4.963  -2.739   4.680
   90    HG2  MET  10           HG2      MET  10   6.031  -3.906   6.329
   91    HG3  MET  10           HG3      MET  10   6.287  -4.992   4.965
   92    HE1  MET  10           HE1      MET  10   8.211  -6.298   6.127
   93    HE2  MET  10           HE2      MET  10   9.564  -5.532   6.991
   94    HE3  MET  10           HE3      MET  10   7.903  -5.342   7.599
   95    H    PHE  11           H        PHE  11   7.902  -1.762   1.997
   96    HA   PHE  11           HA       PHE  11   9.939  -3.748   1.281
   97    HB2  PHE  11           HB2      PHE  11   9.815  -0.704   1.167
   98    HB3  PHE  11           HB3      PHE  11  11.152  -1.689   0.606
   99    HD1  PHE  11           HD1      PHE  11  10.601  -3.569  -1.156
  100    HD2  PHE  11           HD2      PHE  11   8.247   0.001  -0.502
  101    HE1  PHE  11           HE1      PHE  11   9.694  -3.739  -3.455
  102    HE2  PHE  11           HE2      PHE  11   7.414  -0.157  -2.834
  103    HZ   PHE  11           HZ       PHE  11   8.106  -2.017  -4.294
  104    H    ALA  12           H        ALA  12  11.632  -4.274   2.648
  105    HA   ALA  12           HA       ALA  12  11.588  -3.631   5.362
  106    HB1  ALA  12           HB1      ALA  12  13.888  -4.684   3.658
  107    HB2  ALA  12           HB2      ALA  12  13.751  -4.812   5.425
  108    HB3  ALA  12           HB3      ALA  12  12.588  -5.659   4.388
  109    H    ASN  13           H        ASN  13  13.276  -1.857   2.774
  110    HA   ASN  13           HA       ASN  13  14.801  -0.166   4.559
  111    HB2  ASN  13           HB2      ASN  13  15.167   1.143   2.439
  112    HB3  ASN  13           HB3      ASN  13  15.676  -0.536   2.384
  113   HD21  ASN  13          HD21      ASN  13  14.108   1.818   0.608
  114    H    GLY  14           H        GLY  14  11.513  -0.382   4.374
  115    HA2  GLY  14           HA2      GLY  14  10.194   0.893   5.765
  116    HA3  GLY  14           HA3      GLY  14  11.283   2.270   5.613
  117    H    THR  15           H        THR  15   9.105   0.319   3.340
  118    HA   THR  15           HA       THR  15   7.526   2.772   2.998
  119    HB   THR  15           HB       THR  15   9.132   1.646   0.693
  120    HG1  THR  15           HG1      THR  15   9.526   3.556   2.383
  121   HG21  THR  15          HG21      THR  15   6.837   2.098  -0.162
  122   HG22  THR  15          HG22      THR  15   6.884   3.709   0.597
  123   HG23  THR  15          HG23      THR  15   8.000   3.317  -0.725
  124    H    VAL  16           H        VAL  16   5.404   2.325   2.673
  125    HA   VAL  16           HA       VAL  16   4.632  -0.538   2.512
  126    HB   VAL  16           HB       VAL  16   3.358   2.004   3.526
  127   HG11  VAL  16          HG11      VAL  16   1.791  -0.557   2.983
  128   HG12  VAL  16          HG12      VAL  16   1.247   0.860   3.922
  129   HG13  VAL  16          HG13      VAL  16   1.527   1.021   2.198
  130   HG21  VAL  16          HG21      VAL  16   3.046   0.644   5.537
  131   HG22  VAL  16          HG22      VAL  16   3.584  -0.813   4.673
  132   HG23  VAL  16          HG23      VAL  16   4.731   0.505   5.009
  133    H    TYR  17           H        TYR  17   3.294  -1.358   0.965
  134    HA   TYR  17           HA       TYR  17   2.205   0.341  -1.153
  135    HB2  TYR  17           HB2      TYR  17   3.302  -0.860  -2.975
  136    HB3  TYR  17           HB3      TYR  17   4.487  -0.073  -1.964
  137    HD1  TYR  17           HD1      TYR  17   5.886  -1.336  -0.406
  138    HD2  TYR  17           HD2      TYR  17   3.290  -3.359  -3.203
  139    HE1  TYR  17           HE1      TYR  17   7.247  -3.389  -0.181
  140    HE2  TYR  17           HE2      TYR  17   4.643  -5.431  -2.943
  141    HH   TYR  17           HH       TYR  17   7.517  -5.572  -0.845
  142    H    TYR  18           H        TYR  18   1.135  -1.207  -2.835
  143    HA   TYR  18           HA       TYR  18  -0.109  -3.527  -1.470
  144    HB2  TYR  18           HB2      TYR  18  -1.408  -1.475  -3.297
  145    HB3  TYR  18           HB3      TYR  18  -2.189  -2.886  -2.571
  146    HD1  TYR  18           HD1      TYR  18  -0.624   0.421  -1.853
  147    HD2  TYR  18           HD2      TYR  18  -2.832  -2.897  -0.212
  148    HE1  TYR  18           HE1      TYR  18  -0.715   1.571   0.328
  149    HE2  TYR  18           HE2      TYR  18  -3.091  -1.664   1.922
  150    HH   TYR  18           HH       TYR  18  -2.805   0.352   3.003
  151    H    PHE  19           H        PHE  19  -0.104  -5.360  -2.539
  152    HA   PHE  19           HA       PHE  19   1.272  -5.502  -5.173
  153    HB2  PHE  19           HB2      PHE  19   2.569  -6.103  -3.190
  154    HB3  PHE  19           HB3      PHE  19   1.355  -7.291  -2.734
  155    HD1  PHE  19           HD2      PHE  19   4.159  -6.539  -5.014
  156    HD2  PHE  19           HD1      PHE  19   1.146  -9.417  -3.933
  157    HE1  PHE  19           HE2      PHE  19   5.452  -8.307  -6.153
  158    HE2  PHE  19           HE1      PHE  19   2.485 -11.218  -5.042
  159    HZ   PHE  19           HZ       PHE  19   4.629 -10.663  -6.138
  160    H    ASN  20           H        ASN  20   0.235  -6.556  -6.737
  161    HA   ASN  20           HA       ASN  20  -2.283  -7.971  -6.256
  162    HB2  ASN  20           HB2      ASN  20  -1.907  -6.436  -8.206
  163    HB3  ASN  20           HB3      ASN  20  -0.706  -7.555  -8.808
  164   HD21  ASN  20          HD22      ASN  20  -4.169  -7.041  -8.238
  165   HD22  ASN  20          HD21      ASN  20  -4.709  -8.476  -9.062
  166    H    HIS  21           H        HIS  21  -1.759  -9.837  -5.048
  167    HA   HIS  21           HA       HIS  21   0.395 -11.581  -5.975
  168    HB2  HIS  21           HB2      HIS  21  -0.386 -13.126  -4.152
  169    HB3  HIS  21           HB3      HIS  21   0.224 -11.559  -3.699
  170    HD2  HIS  21           HD2      HIS  21  -3.462 -12.449  -4.646
  171    HE1  HIS  21           HE1      HIS  21  -3.412 -10.970  -0.651
  172    HE2  HIS  21           HE2      HIS  21  -4.902 -11.778  -2.544
  173    H    ILE  22           H        ILE  22  -1.864 -11.036  -7.886
  174    HA   ILE  22           HA       ILE  22  -2.250 -13.886  -8.685
  175    HB   ILE  22           HB       ILE  22  -3.898 -11.468  -9.525
  176   HG12  ILE  22          HG12      ILE  22  -4.546 -13.714  -7.563
  177   HG13  ILE  22          HG13      ILE  22  -4.329 -12.009  -7.169
  178   HG21  ILE  22          HG21      ILE  22  -3.797 -13.195 -11.282
  179   HG22  ILE  22          HG22      ILE  22  -4.273 -14.438 -10.106
  180   HG23  ILE  22          HG23      ILE  22  -5.393 -13.141 -10.581
  181   HD11  ILE  22          HD11      ILE  22  -6.656 -12.406  -7.138
  182   HD12  ILE  22          HD12      ILE  22  -6.330 -11.472  -8.613
  183   HD13  ILE  22          HD13      ILE  22  -6.639 -13.225  -8.702
  184    H    THR  23           H        THR  23  -0.705 -10.846  -9.374
  185    HA   THR  23           HA       THR  23   0.345 -11.888 -11.988
  186    HB   THR  23           HB       THR  23   0.344  -9.543 -12.776
  187    HG1  THR  23           HG1      THR  23  -1.257  -9.039 -10.502
  188   HG21  THR  23          HG21      THR  23  -1.600 -10.960 -13.349
  189   HG22  THR  23          HG22      THR  23  -2.439 -10.420 -11.882
  190   HG23  THR  23          HG23      THR  23  -2.044  -9.252 -13.161
  191    H    ASN  24           H        ASN  24   1.112 -10.325  -8.950
  192    HA   ASN  24           HA       ASN  24   2.961  -9.802  -7.930
  193    HB2  ASN  24           HB2      ASN  24   4.679 -10.233 -10.391
  194    HB3  ASN  24           HB3      ASN  24   5.201 -10.081  -8.726
  195   HD21  ASN  24          HD22      ASN  24   3.713 -12.206 -11.072
  196   HD22  ASN  24          HD21      ASN  24   3.943 -13.682 -10.108
  197    H    ALA  25           H        ALA  25   1.320  -7.981 -10.055
  198    HA   ALA  25           HA       ALA  25   3.110  -5.750 -10.409
  199    HB1  ALA  25           HB1      ALA  25   0.069  -5.798 -10.182
  200    HB2  ALA  25           HB2      ALA  25   1.062  -4.503 -10.883
  201    HB3  ALA  25           HB3      ALA  25   0.993  -6.089 -11.672
  202    H    SER  26           H        SER  26   3.244  -3.743  -9.172
  203    HA   SER  26           HA       SER  26   2.231  -3.805  -6.378
  204    HB2  SER  26           HB2      SER  26   4.450  -3.143  -5.560
  205    HB3  SER  26           HB3      SER  26   4.504  -4.744  -6.308
  206    HG   SER  26           HG       SER  26   5.015  -2.388  -7.797
  207    H    GLN  27           H        GLN  27   1.479  -1.847  -5.688
  208    HA   GLN  27           HA       GLN  27   2.449   0.659  -6.927
  209    HB2  GLN  27           HB2      GLN  27   0.582  -0.316  -8.326
  210    HB3  GLN  27           HB3      GLN  27  -0.480  -0.202  -6.918
  211    HG2  GLN  27           HG2      GLN  27  -0.281   2.250  -6.949
  212    HG3  GLN  27           HG3      GLN  27   0.947   2.162  -8.222
  213   HE21  GLN  27          HE22      GLN  27  -2.486   0.859  -7.697
  214   HE22  GLN  27          HE21      GLN  27  -2.909   1.341  -9.335
  215    H    PHE  28           H        PHE  28   1.901   2.552  -5.663
  216    HA   PHE  28           HA       PHE  28   1.641   2.016  -2.820
  217    HB2  PHE  28           HB2      PHE  28   2.012   4.625  -4.321
  218    HB3  PHE  28           HB3      PHE  28   2.270   4.351  -2.598
  219    HD1  PHE  28           HD2      PHE  28   3.925   2.363  -1.986
  220    HD2  PHE  28           HD1      PHE  28   3.924   4.488  -5.736
  221    HE1  PHE  28           HE2      PHE  28   6.247   1.672  -2.365
  222    HE2  PHE  28           HE1      PHE  28   6.268   3.778  -6.129
  223    HZ   PHE  28           HZ       PHE  28   7.447   2.366  -4.448
  224    H    GLU  29           H        GLU  29  -0.776   2.153  -4.954
  225    HA   GLU  29           HA       GLU  29  -2.543   4.224  -4.073
  226    HB2  GLU  29           HB2      GLU  29  -2.468   2.905  -6.257
  227    HB3  GLU  29           HB3      GLU  29  -3.290   1.592  -5.434
  228    HG2  GLU  29           HG2      GLU  29  -4.317   4.453  -5.751
  229    HG3  GLU  29           HG3      GLU  29  -4.735   3.113  -6.814
  230    H    ARG  30           H        ARG  30  -3.280   4.351  -1.989
  231    HA   ARG  30           HA       ARG  30  -3.481   1.910  -0.408
  232    HB2  ARG  30           HB2      ARG  30  -2.058   3.558   0.428
  233    HB3  ARG  30           HB3      ARG  30  -3.241   4.855   0.221
  234    HG2  ARG  30           HG2      ARG  30  -4.528   4.183   2.030
  235    HG3  ARG  30           HG3      ARG  30  -3.826   2.556   2.092
  236    HD2  ARG  30           HD2      ARG  30  -1.660   3.628   2.817
  237    HD3  ARG  30           HD3      ARG  30  -2.545   5.154   2.994
  238    HE   ARG  30           HE       ARG  30  -2.772   2.704   4.663
  239   HH11  ARG  30          HH11      ARG  30  -4.681   5.520   3.815
  240   HH12  ARG  30          HH12      ARG  30  -5.669   5.323   5.248
  241   HH21  ARG  30          HH21      ARG  30  -3.966   2.487   6.209
  242   HH22  ARG  30          HH22      ARG  30  -5.440   3.384   6.442
  243    HA   PRO  31           HA       PRO  31  -8.028   2.208   0.144
  244    HB2  PRO  31           HB2      PRO  31  -8.437  -0.107   1.460
  245    HB3  PRO  31           HB3      PRO  31  -7.843  -0.134  -0.217
  246    HG2  PRO  31           HG2      PRO  31  -6.181  -0.329   2.325
  247    HG3  PRO  31           HG3      PRO  31  -6.178  -1.434   0.932
  248    HD2  PRO  31           HD2      PRO  31  -4.427   0.665   1.237
  249    HD3  PRO  31           HD3      PRO  31  -4.940   0.087  -0.372
  250    H    SER  32           H        SER  32  -9.089   1.220   2.745
  251    HA   SER  32           HA       SER  32  -8.554   3.407   4.499
  252    HB2  SER  32           HB2      SER  32  -9.821   1.930   6.115
  253    HB3  SER  32           HB3      SER  32 -10.659   2.275   4.588
  254    HG   SER  32           HG       SER  32 -10.667   0.018   5.234
  255    H    GLY  33           H        GLY  33  -6.884   0.374   4.016
  256    HA2  GLY  33           HA2      GLY  33  -5.424   0.514   6.608
  257    HA3  GLY  33           HA3      GLY  33  -5.623  -0.906   5.585
  258    H1   NAG 101           H1       NAG  34  11.768   0.398  -0.028
  259    H2   NAG 101           H2       NAG  34  13.016   2.788  -1.492
  260    H3   NAG 101           H3       NAG  34  10.172   1.681  -1.355
  261    H4   NAG 101           H4       NAG  34  12.156   1.867  -3.679
  262    H5   NAG 101           H5       NAG  34  11.054  -0.518  -2.131
  263    H61  NAG 101           H61      NAG  34  12.636  -1.925  -3.351
  264    H62  NAG 101           H62      NAG  34  11.500  -1.165  -4.471
  265    H81  NAG 101           H2M      NAG  34  11.409   5.365   1.540
  266    H82  NAG 101           H3M      NAG  34  13.055   5.543   2.175
  267    H83  NAG 101           H1M      NAG  34  11.983   4.304   2.853
  268    HN2  NAG 101           H2N      NAG  34  10.878   3.371   0.373
  269    HO3  NAG 101           H3O      NAG  34   9.942   3.290  -3.106
  270    HO4  NAG 101           H4O      NAG  34  10.449   0.842  -4.790
  271    HO6  NAG 101           H6O      NAG  34  14.113  -0.202  -3.808
  Start of MODEL    2
    1    H1   LYS   1           H1       LYS   1 -12.065  -7.012   2.931
    2    H2   LYS   1           H2       LYS   1 -10.806  -7.246   1.894
    3    H3   LYS   1           H3       LYS   1 -12.147  -6.453   1.384
    4    HA   LYS   1           HA       LYS   1 -11.765  -4.639   2.861
    5    HB2  LYS   1           HB2      LYS   1 -10.648  -5.864   4.662
    6    HB3  LYS   1           HB3      LYS   1  -9.245  -6.163   3.643
    7    HG2  LYS   1           HG2      LYS   1  -8.830  -4.348   5.235
    8    HG3  LYS   1           HG3      LYS   1  -8.727  -3.755   3.579
    9    HD2  LYS   1           HD2      LYS   1 -10.993  -2.760   3.774
   10    HD3  LYS   1           HD3      LYS   1 -11.170  -3.462   5.388
   11    HE2  LYS   1           HE2      LYS   1 -10.649  -1.121   5.578
   12    HE3  LYS   1           HE3      LYS   1  -9.292  -2.060   6.214
   13    HZ1  LYS   1           HZ1      LYS   1  -7.970  -1.455   4.362
   14    HZ2  LYS   1           HZ2      LYS   1  -9.286  -1.113   3.407
   15    HZ3  LYS   1           HZ3      LYS   1  -8.839  -0.098   4.592
   16    H    LEU   2           H        LEU   2  -8.553  -5.799   1.630
   17    HA   LEU   2           HA       LEU   2  -8.383  -3.611  -0.221
   18    HB2  LEU   2           HB2      LEU   2  -6.864  -6.246  -0.131
   19    HB3  LEU   2           HB3      LEU   2  -6.355  -4.778  -0.958
   20    HG   LEU   2           HG       LEU   2  -6.609  -5.096   2.070
   21   HD11  LEU   2          HD11      LEU   2  -4.140  -5.022   2.026
   22   HD12  LEU   2          HD12      LEU   2  -4.806  -6.419   1.175
   23   HD13  LEU   2          HD13      LEU   2  -4.184  -5.038   0.245
   24   HD21  LEU   2          HD21      LEU   2  -5.436  -2.791   0.462
   25   HD22  LEU   2          HD22      LEU   2  -6.958  -2.740   1.382
   26   HD23  LEU   2          HD23      LEU   2  -5.425  -2.955   2.226
   27    HA   PRO   3           HA       PRO   3 -10.641  -5.356  -3.610
   28    HB2  PRO   3           HB2      PRO   3  -8.522  -4.581  -5.571
   29    HB3  PRO   3           HB3      PRO   3 -10.223  -4.057  -5.478
   30    HG2  PRO   3           HG2      PRO   3  -8.168  -2.410  -4.758
   31    HG3  PRO   3           HG3      PRO   3  -9.738  -2.405  -3.891
   32    HD2  PRO   3           HD2      PRO   3  -7.161  -3.767  -3.096
   33    HD3  PRO   3           HD3      PRO   3  -8.302  -2.814  -2.102
   34    HA   PRO   4           HA       PRO   4  -9.750  -9.419  -4.961
   35    HB2  PRO   4           HB2      PRO   4  -9.679  -8.466  -7.836
   36    HB3  PRO   4           HB3      PRO   4 -10.427  -9.950  -7.158
   37    HG2  PRO   4           HG2      PRO   4 -11.959  -7.776  -7.599
   38    HG3  PRO   4           HG3      PRO   4 -12.126  -8.666  -6.049
   39    HD2  PRO   4           HD2      PRO   4 -10.630  -6.105  -6.604
   40    HD3  PRO   4           HD3      PRO   4 -11.665  -6.530  -5.206
   41    H    GLY   5           H        GLY   5  -7.865 -10.170  -4.274
   42    HA2  GLY   5           HA2      GLY   5  -5.821 -11.204  -4.575
   43    HA3  GLY   5           HA3      GLY   5  -5.642 -10.421  -6.145
   44    H    TRP   6           H        TRP   6  -6.291  -7.893  -3.902
   45    HA   TRP   6           HA       TRP   6  -3.444  -7.190  -3.917
   46    HB2  TRP   6           HB2      TRP   6  -5.973  -5.729  -3.157
   47    HB3  TRP   6           HB3      TRP   6  -4.367  -5.072  -2.929
   48    HD1  TRP   6           HD1      TRP   6  -6.823  -5.978  -5.677
   49    HE1  TRP   6           HE1      TRP   6  -6.187  -4.750  -7.849
   50    HE3  TRP   6           HE3      TRP   6  -2.239  -4.219  -4.282
   51    HZ2  TRP   6           HZ2      TRP   6  -3.904  -3.323  -8.891
   52    HZ3  TRP   6           HZ3      TRP   6  -0.817  -2.989  -5.913
   53    HH2  TRP   6           HH2      TRP   6  -1.635  -2.537  -8.204
   54    H    GLU   7           H        GLU   7  -2.157  -6.930  -2.234
   55    HA   GLU   7           HA       GLU   7  -3.032  -7.535   0.538
   56    HB2  GLU   7           HB2      GLU   7  -1.483  -9.142  -1.329
   57    HB3  GLU   7           HB3      GLU   7  -0.420  -8.609  -0.042
   58    HG2  GLU   7           HG2      GLU   7  -3.160  -9.824   0.553
   59    HG3  GLU   7           HG3      GLU   7  -1.728 -10.818   0.263
   60    H    LYS   8           H        LYS   8  -1.510  -6.710   2.164
   61    HA   LYS   8           HA       LYS   8  -0.262  -4.141   1.216
   62    HB2  LYS   8           HB2      LYS   8  -0.649  -3.206   3.341
   63    HB3  LYS   8           HB3      LYS   8  -2.118  -3.969   2.735
   64    HG2  LYS   8           HG2      LYS   8  -1.729  -5.909   4.278
   65    HG3  LYS   8           HG3      LYS   8  -0.313  -5.046   4.914
   66    HD2  LYS   8           HD2      LYS   8  -2.139  -4.594   6.420
   67    HD3  LYS   8           HD3      LYS   8  -1.807  -3.117   5.508
   68    HE2  LYS   8           HE2      LYS   8  -3.711  -4.004   3.900
   69    HE3  LYS   8           HE3      LYS   8  -4.145  -5.045   5.258
   70    HZ1  LYS   8           HZ1      LYS   8  -4.395  -2.967   6.588
   71    HZ2  LYS   8           HZ2      LYS   8  -3.990  -2.071   5.240
   72    HZ3  LYS   8           HZ3      LYS   8  -5.336  -2.846   5.208
   73    H    ARG   9           H        ARG   9   1.895  -3.579   1.599
   74    HA   ARG   9           HA       ARG   9   3.638  -5.779   2.709
   75    HB2  ARG   9           HB2      ARG   9   4.051  -4.453   0.025
   76    HB3  ARG   9           HB3      ARG   9   5.080  -5.699   0.718
   77    HG2  ARG   9           HG2      ARG   9   2.321  -6.066  -0.476
   78    HG3  ARG   9           HG3      ARG   9   3.864  -6.441  -1.188
   79    HD2  ARG   9           HD2      ARG   9   2.895  -8.474  -0.543
   80    HD3  ARG   9           HD3      ARG   9   4.358  -8.190   0.408
   81    HE   ARG   9           HE       ARG   9   2.508  -7.241   2.121
   82   HH11  ARG   9          HH12      ARG   9   1.967 -10.323   0.378
   83   HH12  ARG   9          HH11      ARG   9   0.767 -10.666   1.651
   84   HH21  ARG   9          HH22      ARG   9   1.126  -7.950   3.449
   85   HH22  ARG   9          HH21      ARG   9   0.378  -9.525   3.194
   86    H    MET  10           H        MET  10   6.031  -4.976   2.480
   87    HA   MET  10           HA       MET  10   6.393  -2.100   3.097
   88    HB2  MET  10           HB2      MET  10   5.703  -3.331   5.227
   89    HB3  MET  10           HB3      MET  10   7.100  -4.371   5.032
   90    HG2  MET  10           HG2      MET  10   8.605  -2.422   5.098
   91    HG3  MET  10           HG3      MET  10   7.229  -1.331   5.247
   92    HE1  MET  10           HE1      MET  10   6.013  -0.772   7.450
   93    HE2  MET  10           HE2      MET  10   5.297  -2.400   7.355
   94    HE3  MET  10           HE3      MET  10   6.014  -1.829   8.877
   95    H    PHE  11           H        PHE  11   8.288  -1.678   1.940
   96    HA   PHE  11           HA       PHE  11  10.123  -3.640   0.915
   97    HB2  PHE  11           HB2      PHE  11  10.107  -0.634   1.143
   98    HB3  PHE  11           HB3      PHE  11  11.466  -1.506   0.459
   99    HD1  PHE  11           HD1      PHE  11  10.886  -3.307  -1.393
  100    HD2  PHE  11           HD2      PHE  11   8.382   0.082  -0.400
  101    HE1  PHE  11           HE1      PHE  11   9.929  -3.333  -3.679
  102    HE2  PHE  11           HE2      PHE  11   7.475   0.049  -2.707
  103    HZ   PHE  11           HZ       PHE  11   8.255  -1.616  -4.341
  104    H    ALA  12           H        ALA  12  12.470  -3.718   1.443
  105    HA   ALA  12           HA       ALA  12  13.007  -4.160   4.162
  106    HB1  ALA  12           HB1      ALA  12  14.159  -5.250   2.273
  107    HB2  ALA  12           HB2      ALA  12  14.929  -3.704   1.839
  108    HB3  ALA  12           HB3      ALA  12  15.317  -4.496   3.380
  109    H    ASN  13           H        ASN  13  12.895  -1.105   2.646
  110    HA   ASN  13           HA       ASN  13  14.627   0.211   4.664
  111    HB2  ASN  13           HB2      ASN  13  14.278   2.219   3.255
  112    HB3  ASN  13           HB3      ASN  13  14.958   0.873   2.342
  113   HD21  ASN  13          HD21      ASN  13  14.180   1.918   0.338
  114    H    GLY  14           H        GLY  14  11.493  -0.943   4.647
  115    HA2  GLY  14           HA2      GLY  14   9.926  -0.573   6.317
  116    HA3  GLY  14           HA3      GLY  14  10.582   1.030   6.643
  117    H    THR  15           H        THR  15   9.912   0.375   3.209
  118    HA   THR  15           HA       THR  15   7.888   2.550   3.385
  119    HB   THR  15           HB       THR  15   9.338   1.393   0.994
  120    HG1  THR  15           HG1      THR  15  10.768   2.295   2.238
  121   HG21  THR  15          HG21      THR  15   7.864   4.038   1.210
  122   HG22  THR  15          HG22      THR  15   8.659   3.338  -0.226
  123   HG23  THR  15          HG23      THR  15   7.195   2.592   0.422
  124    H    VAL  16           H        VAL  16   5.696   1.956   3.354
  125    HA   VAL  16           HA       VAL  16   5.180  -0.778   2.333
  126    HB   VAL  16           HB       VAL  16   2.941  -0.606   3.296
  127   HG11  VAL  16          HG11      VAL  16   4.604  -1.569   4.703
  128   HG12  VAL  16          HG12      VAL  16   5.158   0.029   5.275
  129   HG13  VAL  16          HG13      VAL  16   3.535  -0.591   5.685
  130   HG21  VAL  16          HG21      VAL  16   2.285   1.127   4.701
  131   HG22  VAL  16          HG22      VAL  16   3.793   2.040   4.335
  132   HG23  VAL  16          HG23      VAL  16   2.571   1.696   3.052
  133    H    TYR  17           H        TYR  17   3.439  -1.310   1.142
  134    HA   TYR  17           HA       TYR  17   2.290   0.537  -0.790
  135    HB2  TYR  17           HB2      TYR  17   3.320  -0.595  -2.726
  136    HB3  TYR  17           HB3      TYR  17   4.543   0.154  -1.729
  137    HD1  TYR  17           HD1      TYR  17   6.000  -1.152  -0.255
  138    HD2  TYR  17           HD2      TYR  17   3.369  -3.070  -3.085
  139    HE1  TYR  17           HE1      TYR  17   7.414  -3.163  -0.165
  140    HE2  TYR  17           HE2      TYR  17   4.770  -5.118  -3.016
  141    HH   TYR  17           HH       TYR  17   6.799  -6.003  -2.275
  142    H    TYR  18           H        TYR  18   1.044  -0.949  -2.405
  143    HA   TYR  18           HA       TYR  18   0.111  -3.429  -1.063
  144    HB2  TYR  18           HB2      TYR  18  -1.443  -1.518  -2.836
  145    HB3  TYR  18           HB3      TYR  18  -2.051  -3.038  -2.162
  146    HD1  TYR  18           HD1      TYR  18  -0.839   0.372  -1.325
  147    HD2  TYR  18           HD2      TYR  18  -2.566  -3.275   0.228
  148    HE1  TYR  18           HE1      TYR  18  -1.134   1.446   0.888
  149    HE2  TYR  18           HE2      TYR  18  -3.057  -2.096   2.360
  150    HH   TYR  18           HH       TYR  18  -3.102  -0.107   3.482
  151    H    PHE  19           H        PHE  19  -0.029  -5.213  -2.197
  152    HA   PHE  19           HA       PHE  19   1.217  -5.307  -4.916
  153    HB2  PHE  19           HB2      PHE  19   2.674  -5.933  -3.018
  154    HB3  PHE  19           HB3      PHE  19   1.526  -7.183  -2.537
  155    HD1  PHE  19           HD1      PHE  19   3.947  -6.086  -5.100
  156    HD2  PHE  19           HD2      PHE  19   1.404  -9.321  -3.783
  157    HE1  PHE  19           HE1      PHE  19   5.074  -7.595  -6.667
  158    HE2  PHE  19           HE2      PHE  19   2.558 -10.849  -5.363
  159    HZ   PHE  19           HZ       PHE  19   4.340 -10.003  -6.843
  160    H    ASN  20           H        ASN  20   0.032  -6.420  -6.429
  161    HA   ASN  20           HA       ASN  20  -2.314  -7.956  -5.495
  162    HB2  ASN  20           HB2      ASN  20  -2.516  -6.286  -7.367
  163    HB3  ASN  20           HB3      ASN  20  -1.521  -7.367  -8.340
  164   HD21  ASN  20          HD22      ASN  20  -4.704  -6.737  -7.132
  165   HD22  ASN  20          HD21      ASN  20  -5.462  -8.234  -7.581
  166    H    HIS  21           H        HIS  21  -1.838  -9.989  -4.832
  167    HA   HIS  21           HA       HIS  21   0.489 -11.390  -5.931
  168    HB2  HIS  21           HB2      HIS  21  -0.008 -13.083  -4.264
  169    HB3  HIS  21           HB3      HIS  21   0.030 -11.481  -3.562
  170    HD2  HIS  21           HD2      HIS  21  -2.746 -13.934  -4.859
  171    HE1  HIS  21           HE1      HIS  21  -4.268 -11.766  -1.508
  172    HE2  HIS  21           HE2      HIS  21  -4.787 -13.600  -3.218
  173    H    ILE  22           H        ILE  22  -2.396 -10.941  -7.413
  174    HA   ILE  22           HA       ILE  22  -2.327 -13.650  -8.668
  175    HB   ILE  22           HB       ILE  22  -4.443 -11.480  -8.922
  176   HG12  ILE  22          HG12      ILE  22  -4.470 -14.093  -7.340
  177   HG13  ILE  22          HG13      ILE  22  -4.412 -12.474  -6.648
  178   HG21  ILE  22          HG21      ILE  22  -5.747 -13.208 -10.104
  179   HG22  ILE  22          HG22      ILE  22  -4.240 -12.907 -10.943
  180   HG23  ILE  22          HG23      ILE  22  -4.401 -14.357  -9.932
  181   HD11  ILE  22          HD11      ILE  22  -6.650 -13.224  -6.436
  182   HD12  ILE  22          HD12      ILE  22  -6.648 -11.985  -7.708
  183   HD13  ILE  22          HD13      ILE  22  -6.748 -13.714  -8.132
  184    H    THR  23           H        THR  23  -2.031 -10.120  -9.358
  185    HA   THR  23           HA       THR  23  -1.116 -10.788 -12.115
  186    HB   THR  23           HB       THR  23  -1.534  -8.518 -12.685
  187    HG1  THR  23           HG1      THR  23  -2.308  -7.087 -11.072
  188   HG21  THR  23          HG21      THR  23  -3.847  -9.341 -10.883
  189   HG22  THR  23          HG22      THR  23  -3.898  -8.261 -12.292
  190   HG23  THR  23          HG23      THR  23  -3.556  -9.985 -12.514
  191    H    ASN  24           H        ASN  24   0.405  -9.992  -9.123
  192    HA   ASN  24           HA       ASN  24   2.390  -9.362  -8.516
  193    HB2  ASN  24           HB2      ASN  24   3.034 -10.933 -10.527
  194    HB3  ASN  24           HB3      ASN  24   3.534  -9.434 -11.308
  195   HD21  ASN  24          HD22      ASN  24   4.902  -8.002  -9.544
  196   HD22  ASN  24          HD21      ASN  24   6.244  -8.974  -8.890
  197    H    ALA  25           H        ALA  25   0.310  -7.369  -9.989
  198    HA   ALA  25           HA       ALA  25   1.940  -5.049 -10.496
  199    HB1  ALA  25           HB1      ALA  25  -0.958  -5.270  -9.568
  200    HB2  ALA  25           HB2      ALA  25  -0.189  -3.832 -10.268
  201    HB3  ALA  25           HB3      ALA  25  -0.401  -5.285 -11.261
  202    H    SER  26           H        SER  26   2.227  -3.147  -9.125
  203    HA   SER  26           HA       SER  26   1.702  -3.444  -6.244
  204    HB2  SER  26           HB2      SER  26   3.967  -2.607  -5.697
  205    HB3  SER  26           HB3      SER  26   4.007  -4.217  -6.421
  206    HG   SER  26           HG       SER  26   4.244  -1.854  -7.981
  207    H    GLN  27           H        GLN  27   1.178  -1.500  -5.252
  208    HA   GLN  27           HA       GLN  27   1.723   1.048  -6.664
  209    HB2  GLN  27           HB2      GLN  27  -0.871  -0.275  -6.629
  210    HB3  GLN  27           HB3      GLN  27  -0.982   1.183  -5.663
  211    HG2  GLN  27           HG2      GLN  27   0.150   1.138  -8.500
  212    HG3  GLN  27           HG3      GLN  27  -1.547   1.402  -8.117
  213   HE21  GLN  27          HE22      GLN  27  -1.404   3.573  -9.170
  214   HE22  GLN  27          HE21      GLN  27  -0.652   4.840  -8.213
  215    H    PHE  28           H        PHE  28   1.732   2.855  -5.352
  216    HA   PHE  28           HA       PHE  28   1.971   2.424  -2.418
  217    HB2  PHE  28           HB2      PHE  28   2.529   4.834  -4.191
  218    HB3  PHE  28           HB3      PHE  28   2.743   4.784  -2.445
  219    HD1  PHE  28           HD2      PHE  28   4.203   2.703  -1.556
  220    HD2  PHE  28           HD1      PHE  28   4.495   4.469  -5.483
  221    HE1  PHE  28           HE2      PHE  28   6.514   1.895  -1.743
  222    HE2  PHE  28           HE1      PHE  28   6.826   3.636  -5.672
  223    HZ   PHE  28           HZ       PHE  28   7.854   2.367  -3.797
  224    H    GLU  29           H        GLU  29  -0.253   3.697  -4.871
  225    HA   GLU  29           HA       GLU  29  -1.930   5.239  -3.129
  226    HB2  GLU  29           HB2      GLU  29  -2.340   3.760  -5.750
  227    HB3  GLU  29           HB3      GLU  29  -3.711   4.466  -4.908
  228    HG2  GLU  29           HG2      GLU  29  -1.247   6.074  -5.708
  229    HG3  GLU  29           HG3      GLU  29  -2.720   5.948  -6.679
  230    H    ARG  30           H        ARG  30  -2.659   4.463  -1.270
  231    HA   ARG  30           HA       ARG  30  -3.102   1.737  -0.772
  232    HB2  ARG  30           HB2      ARG  30  -3.531   2.249   1.428
  233    HB3  ARG  30           HB3      ARG  30  -2.271   3.332   0.870
  234    HG2  ARG  30           HG2      ARG  30  -5.128   4.045   1.587
  235    HG3  ARG  30           HG3      ARG  30  -3.633   4.338   2.469
  236    HD2  ARG  30           HD2      ARG  30  -4.249   6.425   1.519
  237    HD3  ARG  30           HD3      ARG  30  -2.860   5.828   0.594
  238    HE   ARG  30           HE       ARG  30  -5.452   5.052  -0.507
  239   HH11  ARG  30          HH11      ARG  30  -2.894   7.464  -0.782
  240   HH12  ARG  30          HH12      ARG  30  -3.110   7.577  -2.524
  241   HH21  ARG  30          HH21      ARG  30  -5.937   5.559  -2.581
  242   HH22  ARG  30          HH22      ARG  30  -4.911   6.682  -3.471
  243    HA   PRO  31           HA       PRO  31  -7.345   1.706  -2.178
  244    HB2  PRO  31           HB2      PRO  31  -7.662  -0.825  -2.799
  245    HB3  PRO  31           HB3      PRO  31  -6.544   0.265  -3.667
  246    HG2  PRO  31           HG2      PRO  31  -5.849  -1.824  -1.566
  247    HG3  PRO  31           HG3      PRO  31  -4.995  -1.500  -3.100
  248    HD2  PRO  31           HD2      PRO  31  -4.346  -0.414  -0.574
  249    HD3  PRO  31           HD3      PRO  31  -3.791   0.214  -2.147
  250    H    SER  32           H        SER  32  -7.902   2.358  -0.317
  251    HA   SER  32           HA       SER  32  -9.332   2.577   1.511
  252    HB2  SER  32           HB2      SER  32 -10.756   0.850   2.299
  253    HB3  SER  32           HB3      SER  32 -10.636   0.647   0.541
  254    HG   SER  32           HG       SER  32  -8.955  -0.889   0.948
  255    H    GLY  33           H        GLY  33  -6.393   0.875   1.705
  256    HA2  GLY  33           HA2      GLY  33  -4.945   1.489   3.567
  257    HA3  GLY  33           HA3      GLY  33  -6.297   1.320   4.670
  258    H1   NAG 101           H1       NAG  34  11.396   1.020  -0.125
  259    H2   NAG 101           H2       NAG  34  12.805   3.201  -1.751
  260    H3   NAG 101           H3       NAG  34  10.091   1.781  -1.868
  261    H4   NAG 101           H4       NAG  34  12.449   2.003  -3.781
  262    H5   NAG 101           H5       NAG  34  11.324  -0.383  -2.276
  263    H61  NAG 101           H61      NAG  34  13.294  -1.628  -2.990
  264    H62  NAG 101           H62      NAG  34  12.437  -1.012  -4.404
  265    H81  NAG 101           H2M      NAG  34   9.682   5.871   0.550
  266    H82  NAG 101           H3M      NAG  34  10.873   7.079   0.021
  267    H83  NAG 101           H1M      NAG  34  11.310   5.893   1.270
  268    HN2  NAG 101           H2N      NAG  34  11.015   3.514   0.525
  269    HO3  NAG 101           H3O      NAG  34  10.756   4.296  -2.745
  270    HO4  NAG 101           H4O      NAG  34  10.205   1.893  -4.492
  271    HO6  NAG 101           H6O      NAG  34  14.701  -0.585  -4.548
  Start of MODEL    3
    1    H1   LYS   1           H1       LYS   1  -6.977   3.362  -2.448
    2    H2   LYS   1           H2       LYS   1  -6.942   2.682  -0.968
    3    H3   LYS   1           H3       LYS   1  -8.005   3.873  -1.259
    4    HA   LYS   1           HA       LYS   1  -9.272   1.866  -1.347
    5    HB2  LYS   1           HB2      LYS   1  -8.455   2.821  -4.132
    6    HB3  LYS   1           HB3      LYS   1  -9.595   1.506  -3.909
    7    HG2  LYS   1           HG2      LYS   1 -10.873   3.462  -4.270
    8    HG3  LYS   1           HG3      LYS   1 -11.097   2.943  -2.607
    9    HD2  LYS   1           HD2      LYS   1 -11.003   5.337  -2.684
   10    HD3  LYS   1           HD3      LYS   1  -9.597   4.764  -1.834
   11    HE2  LYS   1           HE2      LYS   1  -8.893   4.994  -4.637
   12    HE3  LYS   1           HE3      LYS   1  -9.837   6.423  -4.203
   13    HZ1  LYS   1           HZ1      LYS   1  -8.236   6.516  -2.191
   14    HZ2  LYS   1           HZ2      LYS   1  -7.244   5.546  -3.135
   15    HZ3  LYS   1           HZ3      LYS   1  -7.687   7.033  -3.659
   16    H    LEU   2           H        LEU   2  -9.421  -0.487  -2.433
   17    HA   LEU   2           HA       LEU   2  -6.783  -1.474  -3.211
   18    HB2  LEU   2           HB2      LEU   2  -6.913  -1.667  -0.723
   19    HB3  LEU   2           HB3      LEU   2  -8.317  -2.722  -0.900
   20    HG   LEU   2           HG       LEU   2  -6.873  -4.370  -2.122
   21   HD11  LEU   2          HD11      LEU   2  -4.667  -2.365  -1.513
   22   HD12  LEU   2          HD12      LEU   2  -4.425  -4.047  -2.050
   23   HD13  LEU   2          HD13      LEU   2  -5.198  -2.895  -3.121
   24   HD21  LEU   2          HD21      LEU   2  -5.628  -3.619   0.504
   25   HD22  LEU   2          HD22      LEU   2  -7.175  -4.488   0.338
   26   HD23  LEU   2          HD23      LEU   2  -5.683  -5.209  -0.267
   27    HA   PRO   3           HA       PRO   3  -9.921  -3.622  -5.691
   28    HB2  PRO   3           HB2      PRO   3  -7.758  -4.478  -7.507
   29    HB3  PRO   3           HB3      PRO   3  -9.156  -3.430  -7.840
   30    HG2  PRO   3           HG2      PRO   3  -6.570  -2.462  -7.698
   31    HG3  PRO   3           HG3      PRO   3  -8.008  -1.501  -7.236
   32    HD2  PRO   3           HD2      PRO   3  -6.122  -3.025  -5.429
   33    HD3  PRO   3           HD3      PRO   3  -6.793  -1.374  -5.260
   34    HA   PRO   4           HA       PRO   4  -9.605  -7.986  -4.706
   35    HB2  PRO   4           HB2      PRO   4 -10.020  -8.535  -7.651
   36    HB3  PRO   4           HB3      PRO   4 -10.823  -9.292  -6.240
   37    HG2  PRO   4           HG2      PRO   4 -12.095  -7.369  -7.658
   38    HG3  PRO   4           HG3      PRO   4 -12.156  -7.341  -5.864
   39    HD2  PRO   4           HD2      PRO   4 -10.392  -5.720  -7.712
   40    HD3  PRO   4           HD3      PRO   4 -11.303  -5.196  -6.262
   41    H    GLY   5           H        GLY   5  -7.924  -9.361  -4.392
   42    HA2  GLY   5           HA2      GLY   5  -6.117 -10.715  -4.865
   43    HA3  GLY   5           HA3      GLY   5  -6.054 -10.073  -6.505
   44    H    TRP   6           H        TRP   6  -5.953  -7.313  -4.563
   45    HA   TRP   6           HA       TRP   6  -3.013  -7.188  -4.588
   46    HB2  TRP   6           HB2      TRP   6  -5.195  -5.162  -4.061
   47    HB3  TRP   6           HB3      TRP   6  -3.469  -4.833  -4.016
   48    HD1  TRP   6           HD1      TRP   6  -6.153  -5.920  -6.530
   49    HE1  TRP   6           HE1      TRP   6  -5.601  -4.932  -8.843
   50    HE3  TRP   6           HE3      TRP   6  -1.582  -3.888  -5.466
   51    HZ2  TRP   6           HZ2      TRP   6  -3.451  -3.470 -10.066
   52    HZ3  TRP   6           HZ3      TRP   6  -0.276  -2.778  -7.242
   53    HH2  TRP   6           HH2      TRP   6  -1.201  -2.530  -9.534
   54    H    GLU   7           H        GLU   7  -1.810  -7.461  -2.759
   55    HA   GLU   7           HA       GLU   7  -3.198  -7.452  -0.116
   56    HB2  GLU   7           HB2      GLU   7  -2.371  -9.663  -1.618
   57    HB3  GLU   7           HB3      GLU   7  -1.037  -9.434  -0.506
   58    HG2  GLU   7           HG2      GLU   7  -3.981  -9.718   0.250
   59    HG3  GLU   7           HG3      GLU   7  -2.774 -11.004   0.316
   60    H    LYS   8           H        LYS   8  -1.951  -7.052   1.732
   61    HA   LYS   8           HA       LYS   8  -0.251  -4.777   1.424
   62    HB2  LYS   8           HB2      LYS   8  -0.350  -4.661   3.840
   63    HB3  LYS   8           HB3      LYS   8  -1.918  -5.148   3.204
   64    HG2  LYS   8           HG2      LYS   8  -0.881  -7.604   3.611
   65    HG3  LYS   8           HG3      LYS   8   0.086  -6.727   4.787
   66    HD2  LYS   8           HD2      LYS   8  -1.873  -6.062   6.023
   67    HD3  LYS   8           HD3      LYS   8  -2.962  -6.529   4.709
   68    HE2  LYS   8           HE2      LYS   8  -1.262  -8.491   6.313
   69    HE3  LYS   8           HE3      LYS   8  -2.969  -8.128   6.603
   70    HZ1  LYS   8           HZ1      LYS   8  -3.178  -8.762   4.081
   71    HZ2  LYS   8           HZ2      LYS   8  -1.835  -9.522   4.227
   72    HZ3  LYS   8           HZ3      LYS   8  -3.074  -9.990   5.210
   73    H    ARG   9           H        ARG   9   1.867  -4.501   1.319
   74    HA   ARG   9           HA       ARG   9   3.815  -6.581   2.277
   75    HB2  ARG   9           HB2      ARG   9   4.107  -4.979  -0.260
   76    HB3  ARG   9           HB3      ARG   9   5.211  -6.221   0.307
   77    HG2  ARG   9           HG2      ARG   9   2.486  -6.628  -0.932
   78    HG3  ARG   9           HG3      ARG   9   4.059  -6.841  -1.666
   79    HD2  ARG   9           HD2      ARG   9   3.354  -8.994  -1.317
   80    HD3  ARG   9           HD3      ARG   9   4.571  -8.702  -0.070
   81    HE   ARG   9           HE       ARG   9   2.536  -8.190   1.437
   82   HH11  ARG   9          HH11      ARG   9   2.065 -10.590  -1.110
   83   HH12  ARG   9          HH12      ARG   9   0.691 -11.254  -0.245
   84   HH21  ARG   9          HH22      ARG   9   0.968  -8.958   2.328
   85   HH22  ARG   9          HH21      ARG   9  -0.055 -10.241   1.790
   86    H    MET  10           H        MET  10   6.140  -5.552   2.126
   87    HA   MET  10           HA       MET  10   6.247  -2.676   2.602
   88    HB2  MET  10           HB2      MET  10   5.608  -3.692   4.817
   89    HB3  MET  10           HB3      MET  10   7.090  -4.655   4.762
   90    HG2  MET  10           HG2      MET  10   8.385  -2.483   4.598
   91    HG3  MET  10           HG3      MET  10   6.876  -1.617   4.862
   92    HE1  MET  10           HE1      MET  10   5.394  -3.359   7.113
   93    HE2  MET  10           HE2      MET  10   6.049  -2.651   8.603
   94    HE3  MET  10           HE3      MET  10   5.585  -1.592   7.258
   95    H    PHE  11           H        PHE  11   8.050  -1.919   1.756
   96    HA   PHE  11           HA       PHE  11  10.282  -3.525   0.801
   97    HB2  PHE  11           HB2      PHE  11   9.797  -0.531   1.061
   98    HB3  PHE  11           HB3      PHE  11  11.214  -1.263   0.333
   99    HD1  PHE  11           HD1      PHE  11  10.886  -2.918  -1.640
  100    HD2  PHE  11           HD2      PHE  11   7.975   0.030  -0.401
  101    HE1  PHE  11           HE1      PHE  11   9.850  -2.999  -3.885
  102    HE2  PHE  11           HE2      PHE  11   6.993  -0.031  -2.691
  103    HZ   PHE  11           HZ       PHE  11   7.913  -1.537  -4.413
  104    H    ALA  12           H        ALA  12  12.148  -3.989   1.958
  105    HA   ALA  12           HA       ALA  12  12.225  -3.748   4.735
  106    HB1  ALA  12           HB1      ALA  12  14.507  -4.232   2.771
  107    HB2  ALA  12           HB2      ALA  12  14.514  -4.630   4.502
  108    HB3  ALA  12           HB3      ALA  12  13.393  -5.466   3.411
  109    H    ASN  13           H        ASN  13  13.514  -1.448   2.349
  110    HA   ASN  13           HA       ASN  13  14.927   0.191   4.272
  111    HB2  ASN  13           HB2      ASN  13  15.031   1.768   2.312
  112    HB3  ASN  13           HB3      ASN  13  15.720   0.179   2.030
  113   HD21  ASN  13          HD21      ASN  13  13.831   2.522   0.597
  114    H    GLY  14           H        GLY  14  11.703  -0.420   4.234
  115    HA2  GLY  14           HA2      GLY  14  10.300   0.518   5.790
  116    HA3  GLY  14           HA3      GLY  14  11.219   2.022   5.778
  117    H    THR  15           H        THR  15   9.129   0.113   3.395
  118    HA   THR  15           HA       THR  15   7.305   2.415   3.399
  119    HB   THR  15           HB       THR  15   8.794   1.673   0.867
  120    HG1  THR  15           HG1      THR  15   9.199   3.433   2.759
  121   HG21  THR  15          HG21      THR  15   7.466   3.426  -0.228
  122   HG22  THR  15          HG22      THR  15   6.395   2.118   0.316
  123   HG23  THR  15          HG23      THR  15   6.491   3.640   1.237
  124    H    VAL  16           H        VAL  16   5.220   1.756   3.224
  125    HA   VAL  16           HA       VAL  16   4.753  -1.129   2.718
  126    HB   VAL  16           HB       VAL  16   3.247   1.066   4.153
  127   HG11  VAL  16          HG11      VAL  16   2.056  -1.633   3.373
  128   HG12  VAL  16          HG12      VAL  16   1.384  -0.519   4.579
  129   HG13  VAL  16          HG13      VAL  16   1.455  -0.028   2.889
  130   HG21  VAL  16          HG21      VAL  16   4.950  -0.308   5.352
  131   HG22  VAL  16          HG22      VAL  16   3.318  -0.579   5.986
  132   HG23  VAL  16          HG23      VAL  16   4.048  -1.781   4.900
  133    H    TYR  17           H        TYR  17   3.355  -1.897   1.218
  134    HA   TYR  17           HA       TYR  17   1.876  -0.092  -0.554
  135    HB2  TYR  17           HB2      TYR  17   2.935  -0.931  -2.600
  136    HB3  TYR  17           HB3      TYR  17   4.113  -0.134  -1.589
  137    HD1  TYR  17           HD2      TYR  17   5.764  -1.426  -0.283
  138    HD2  TYR  17           HD1      TYR  17   3.206  -3.312  -3.198
  139    HE1  TYR  17           HE2      TYR  17   7.350  -3.314  -0.433
  140    HE2  TYR  17           HE1      TYR  17   4.813  -5.235  -3.352
  141    HH   TYR  17           HH       TYR  17   7.879  -5.263  -1.561
  142    H    TYR  18           H        TYR  18   0.693  -1.520  -2.227
  143    HA   TYR  18           HA       TYR  18   0.068  -4.214  -1.145
  144    HB2  TYR  18           HB2      TYR  18  -1.720  -2.197  -2.521
  145    HB3  TYR  18           HB3      TYR  18  -2.143  -3.891  -2.251
  146    HD1  TYR  18           HD1      TYR  18  -0.861  -0.905  -0.367
  147    HD2  TYR  18           HD2      TYR  18  -3.315  -4.448  -0.200
  148    HE1  TYR  18           HE1      TYR  18  -1.126  -0.576   1.984
  149    HE2  TYR  18           HE2      TYR  18  -3.876  -3.969   2.084
  150    HH   TYR  18           HH       TYR  18  -2.167  -1.388   3.965
  151    H    PHE  19           H        PHE  19   0.016  -5.907  -2.431
  152    HA   PHE  19           HA       PHE  19   1.236  -5.659  -5.139
  153    HB2  PHE  19           HB2      PHE  19   2.710  -6.328  -3.350
  154    HB3  PHE  19           HB3      PHE  19   1.607  -7.613  -2.850
  155    HD1  PHE  19           HD2      PHE  19   1.403  -9.698  -4.177
  156    HD2  PHE  19           HD1      PHE  19   4.184  -6.575  -5.246
  157    HE1  PHE  19           HE2      PHE  19   2.718 -11.319  -5.531
  158    HE2  PHE  19           HE1      PHE  19   5.490  -8.170  -6.563
  159    HZ   PHE  19           HZ       PHE  19   4.761 -10.570  -6.723
  160    H    ASN  20           H        ASN  20  -0.065  -6.321  -6.703
  161    HA   ASN  20           HA       ASN  20  -2.350  -8.036  -6.360
  162    HB2  ASN  20           HB2      ASN  20  -2.099  -6.254  -8.111
  163    HB3  ASN  20           HB3      ASN  20  -0.862  -7.228  -8.869
  164   HD21  ASN  20          HD22      ASN  20  -4.353  -7.056  -8.074
  165   HD22  ASN  20          HD21      ASN  20  -4.786  -8.385  -9.131
  166    H    HIS  21           H        HIS  21  -1.795 -10.059  -5.494
  167    HA   HIS  21           HA       HIS  21   0.523 -11.508  -6.473
  168    HB2  HIS  21           HB2      HIS  21  -0.223 -13.291  -4.988
  169    HB3  HIS  21           HB3      HIS  21  -0.182 -11.731  -4.192
  170    HD2  HIS  21           HD2      HIS  21  -2.970 -13.844  -5.984
  171    HE1  HIS  21           HE1      HIS  21  -4.625 -12.059  -2.479
  172    HE2  HIS  21           HE2      HIS  21  -5.112 -13.589  -4.471
  173    H    ILE  22           H        ILE  22  -2.076 -10.881  -8.312
  174    HA   ILE  22           HA       ILE  22  -2.168 -13.571  -9.578
  175    HB   ILE  22           HB       ILE  22  -3.826 -11.090 -10.187
  176   HG12  ILE  22          HG12      ILE  22  -4.593 -13.519  -8.502
  177   HG13  ILE  22          HG13      ILE  22  -4.272 -11.906  -7.867
  178   HG21  ILE  22          HG21      ILE  22  -3.682 -12.658 -12.083
  179   HG22  ILE  22          HG22      ILE  22  -4.177 -13.999 -11.029
  180   HG23  ILE  22          HG23      ILE  22  -5.293 -12.668 -11.410
  181   HD11  ILE  22          HD11      ILE  22  -6.619 -12.159  -7.930
  182   HD12  ILE  22          HD12      ILE  22  -6.180 -11.005  -9.204
  183   HD13  ILE  22          HD13      ILE  22  -6.616 -12.685  -9.616
  184    H    THR  23           H        THR  23  -0.695 -10.426  -9.826
  185    HA   THR  23           HA       THR  23   0.388 -11.064 -12.559
  186    HB   THR  23           HB       THR  23   0.222  -8.650 -13.065
  187    HG1  THR  23           HG1      THR  23  -1.372  -8.516 -10.734
  188   HG21  THR  23          HG21      THR  23  -1.642 -10.116 -13.779
  189   HG22  THR  23          HG22      THR  23  -2.490  -9.789 -12.256
  190   HG23  THR  23          HG23      THR  23  -2.179  -8.468 -13.400
  191    H    ASN  24           H        ASN  24   1.138  -9.900  -9.356
  192    HA   ASN  24           HA       ASN  24   2.978  -9.401  -8.308
  193    HB2  ASN  24           HB2      ASN  24   4.632  -9.284 -10.848
  194    HB3  ASN  24           HB3      ASN  24   5.204  -9.354  -9.194
  195   HD21  ASN  24          HD22      ASN  24   3.753 -11.204 -11.796
  196   HD22  ASN  24          HD21      ASN  24   4.173 -12.789 -11.103
  197    H    ALA  25           H        ALA  25   1.155  -7.424 -10.174
  198    HA   ALA  25           HA       ALA  25   2.781  -5.077 -10.342
  199    HB1  ALA  25           HB1      ALA  25   0.691  -5.440 -11.621
  200    HB2  ALA  25           HB2      ALA  25  -0.248  -5.339 -10.116
  201    HB3  ALA  25           HB3      ALA  25   0.651  -3.925 -10.700
  202    H    SER  26           H        SER  26   3.429  -3.614  -8.799
  203    HA   SER  26           HA       SER  26   2.298  -3.797  -6.050
  204    HB2  SER  26           HB2      SER  26   4.521  -3.014  -5.345
  205    HB3  SER  26           HB3      SER  26   4.633  -4.522  -6.268
  206    HG   SER  26           HG       SER  26   4.844  -1.961  -7.469
  207    H    GLN  27           H        GLN  27   1.187  -2.014  -5.303
  208    HA   GLN  27           HA       GLN  27   1.972   0.688  -6.255
  209    HB2  GLN  27           HB2      GLN  27  -0.839  -0.486  -6.376
  210    HB3  GLN  27           HB3      GLN  27  -0.509   1.239  -6.455
  211    HG2  GLN  27           HG2      GLN  27   0.554  -0.778  -8.478
  212    HG3  GLN  27           HG3      GLN  27  -0.889   0.206  -8.678
  213   HE21  GLN  27          HE22      GLN  27   2.702   0.331  -8.518
  214   HE22  GLN  27          HE21      GLN  27   2.742   1.954  -9.233
  215    H    PHE  28           H        PHE  28   1.366   2.403  -4.937
  216    HA   PHE  28           HA       PHE  28   1.349   1.763  -2.116
  217    HB2  PHE  28           HB2      PHE  28   1.425   4.437  -3.554
  218    HB3  PHE  28           HB3      PHE  28   1.817   4.143  -1.858
  219    HD1  PHE  28           HD2      PHE  28   3.669   2.364  -1.348
  220    HD2  PHE  28           HD1      PHE  28   3.190   4.328  -5.161
  221    HE1  PHE  28           HE2      PHE  28   5.981   1.790  -1.931
  222    HE2  PHE  28           HE1      PHE  28   5.524   3.727  -5.755
  223    HZ   PHE  28           HZ       PHE  28   6.929   2.445  -4.150
  224    H    GLU  29           H        GLU  29  -1.258   1.784  -4.061
  225    HA   GLU  29           HA       GLU  29  -3.086   3.368  -2.454
  226    HB2  GLU  29           HB2      GLU  29  -3.397   1.516  -4.778
  227    HB3  GLU  29           HB3      GLU  29  -4.782   1.766  -3.720
  228    HG2  GLU  29           HG2      GLU  29  -3.256   3.987  -5.119
  229    HG3  GLU  29           HG3      GLU  29  -4.821   3.333  -5.608
  230    H    ARG  30           H        ARG  30  -3.414   2.968  -0.458
  231    HA   ARG  30           HA       ARG  30  -3.572   0.228   0.599
  232    HB2  ARG  30           HB2      ARG  30  -3.966   2.353   2.589
  233    HB3  ARG  30           HB3      ARG  30  -2.839   1.033   2.559
  234    HG2  ARG  30           HG2      ARG  30  -1.339   2.697   2.615
  235    HG3  ARG  30           HG3      ARG  30  -1.483   2.655   0.887
  236    HD2  ARG  30           HD2      ARG  30  -2.602   4.616   2.903
  237    HD3  ARG  30           HD3      ARG  30  -1.575   4.959   1.520
  238    HE   ARG  30           HE       ARG  30  -4.512   4.801   1.619
  239   HH11  ARG  30          HH11      ARG  30  -1.828   4.807  -0.799
  240   HH12  ARG  30          HH12      ARG  30  -3.001   5.484  -1.943
  241   HH21  ARG  30          HH21      ARG  30  -5.805   5.405  -0.204
  242   HH22  ARG  30          HH22      ARG  30  -4.862   5.661  -1.678
  243    HA   PRO  31           HA       PRO  31  -8.016   0.322   0.917
  244    HB2  PRO  31           HB2      PRO  31  -7.610  -0.440   3.817
  245    HB3  PRO  31           HB3      PRO  31  -8.752  -1.153   2.632
  246    HG2  PRO  31           HG2      PRO  31  -6.397  -2.433   3.175
  247    HG3  PRO  31           HG3      PRO  31  -6.990  -2.279   1.504
  248    HD2  PRO  31           HD2      PRO  31  -4.878  -0.645   2.900
  249    HD3  PRO  31           HD3      PRO  31  -4.895  -1.325   1.237
  250    H    SER  32           H        SER  32  -6.289   1.755   3.303
  251    HA   SER  32           HA       SER  32  -8.109   3.729   4.419
  252    HB2  SER  32           HB2      SER  32  -5.064   3.784   4.391
  253    HB3  SER  32           HB3      SER  32  -6.133   4.682   5.483
  254    HG   SER  32           HG       SER  32  -6.775   2.709   6.381
  255    H    GLY  33           H        GLY  33  -9.089   4.825   2.677
  256    HA2  GLY  33           HA2      GLY  33  -9.328   6.970   1.750
  257    HA3  GLY  33           HA3      GLY  33  -7.588   7.232   1.879
  258    H1   NAG 101           H1       NAG  34  11.591   0.948  -0.031
  259    H2   NAG 101           H2       NAG  34  12.521   3.573  -1.325
  260    H3   NAG 101           H3       NAG  34   9.805   2.186  -1.142
  261    H4   NAG 101           H4       NAG  34  11.599   2.781  -3.553
  262    H5   NAG 101           H5       NAG  34  10.801   0.174  -2.197
  263    H61  NAG 101           H61      NAG  34  12.286  -1.010  -3.647
  264    H62  NAG 101           H62      NAG  34  11.221  -0.065  -4.690
  265    H81  NAG 101           H2M      NAG  34  11.605   4.447   3.224
  266    H82  NAG 101           H3M      NAG  34  10.828   5.595   2.105
  267    H83  NAG 101           H1M      NAG  34  12.483   5.887   2.673
  268    HN2  NAG 101           H2N      NAG  34  10.477   3.609   0.801
  269    HO3  NAG 101           H3O      NAG  34   9.791   4.596  -1.152
  270    HO4  NAG 101           H4O      NAG  34   9.256   2.867  -3.623
  271    HO6  NAG 101           H6O      NAG  34  13.754   0.828  -3.719
  Start of MODEL    4
    1    H1   LYS   1           H1       LYS   1  -7.498   1.963  -2.073
    2    H2   LYS   1           H2       LYS   1  -8.569   3.095  -2.527
    3    H3   LYS   1           H3       LYS   1  -7.384   2.606  -3.575
    4    HA   LYS   1           HA       LYS   1  -9.555   0.892  -2.541
    5    HB2  LYS   1           HB2      LYS   1 -10.405   0.961  -4.928
    6    HB3  LYS   1           HB3      LYS   1 -10.730   2.354  -3.922
    7    HG2  LYS   1           HG2      LYS   1  -8.321   2.434  -5.764
    8    HG3  LYS   1           HG3      LYS   1  -9.932   2.603  -6.438
    9    HD2  LYS   1           HD2      LYS   1 -10.427   4.530  -5.084
   10    HD3  LYS   1           HD3      LYS   1  -8.915   4.401  -4.193
   11    HE2  LYS   1           HE2      LYS   1  -9.077   4.891  -7.197
   12    HE3  LYS   1           HE3      LYS   1  -8.984   6.164  -5.973
   13    HZ1  LYS   1           HZ1      LYS   1  -6.862   4.180  -6.631
   14    HZ2  LYS   1           HZ2      LYS   1  -6.756   5.820  -6.571
   15    HZ3  LYS   1           HZ3      LYS   1  -6.861   4.831  -5.227
   16    H    LEU   2           H        LEU   2  -8.789  -1.201  -2.417
   17    HA   LEU   2           HA       LEU   2  -6.583  -2.018  -4.200
   18    HB2  LEU   2           HB2      LEU   2  -8.005  -3.421  -1.907
   19    HB3  LEU   2           HB3      LEU   2  -6.748  -4.137  -2.891
   20    HG   LEU   2           HG       LEU   2  -6.468  -1.871  -0.908
   21   HD11  LEU   2          HD11      LEU   2  -5.061  -4.550  -1.216
   22   HD12  LEU   2          HD12      LEU   2  -4.848  -3.396   0.112
   23   HD13  LEU   2          HD13      LEU   2  -6.399  -4.223  -0.098
   24   HD21  LEU   2          HD21      LEU   2  -4.376  -2.784  -2.917
   25   HD22  LEU   2          HD22      LEU   2  -5.106  -1.166  -2.807
   26   HD23  LEU   2          HD23      LEU   2  -4.088  -1.744  -1.505
   27    HA   PRO   3           HA       PRO   3  -9.648  -4.086  -6.865
   28    HB2  PRO   3           HB2      PRO   3  -7.214  -4.948  -8.367
   29    HB3  PRO   3           HB3      PRO   3  -8.679  -4.133  -8.972
   30    HG2  PRO   3           HG2      PRO   3  -6.302  -2.801  -8.708
   31    HG3  PRO   3           HG3      PRO   3  -7.876  -2.010  -8.375
   32    HD2  PRO   3           HD2      PRO   3  -5.913  -3.170  -6.390
   33    HD3  PRO   3           HD3      PRO   3  -6.812  -1.633  -6.343
   34    HA   PRO   4           HA       PRO   4  -9.400  -8.393  -5.636
   35    HB2  PRO   4           HB2      PRO   4  -9.252  -9.130  -8.568
   36    HB3  PRO   4           HB3      PRO   4 -10.254  -9.859  -7.273
   37    HG2  PRO   4           HG2      PRO   4 -11.354  -8.079  -8.984
   38    HG3  PRO   4           HG3      PRO   4 -11.705  -7.954  -7.229
   39    HD2  PRO   4           HD2      PRO   4  -9.734  -6.355  -8.872
   40    HD3  PRO   4           HD3      PRO   4 -10.880  -5.792  -7.616
   41    H    GLY   5           H        GLY   5  -7.762  -9.611  -4.869
   42    HA2  GLY   5           HA2      GLY   5  -5.865 -10.935  -4.873
   43    HA3  GLY   5           HA3      GLY   5  -5.471 -10.388  -6.504
   44    H    TRP   6           H        TRP   6  -5.881  -7.497  -4.893
   45    HA   TRP   6           HA       TRP   6  -3.010  -7.142  -4.409
   46    HB2  TRP   6           HB2      TRP   6  -5.423  -5.314  -4.286
   47    HB3  TRP   6           HB3      TRP   6  -3.791  -4.827  -3.890
   48    HD1  TRP   6           HD1      TRP   6  -5.688  -6.225  -6.946
   49    HE1  TRP   6           HE1      TRP   6  -4.723  -5.141  -9.083
   50    HE3  TRP   6           HE3      TRP   6  -1.995  -3.399  -4.823
   51    HZ2  TRP   6           HZ2      TRP   6  -2.647  -3.268  -9.758
   52    HZ3  TRP   6           HZ3      TRP   6  -0.608  -1.914  -6.209
   53    HH2  TRP   6           HH2      TRP   6  -0.893  -1.850  -8.683
   54    H    GLU   7           H        GLU   7  -2.032  -7.088  -2.440
   55    HA   GLU   7           HA       GLU   7  -3.590  -6.246  -0.108
   56    HB2  GLU   7           HB2      GLU   7  -3.178  -9.036  -0.543
   57    HB3  GLU   7           HB3      GLU   7  -2.058  -8.588   0.731
   58    HG2  GLU   7           HG2      GLU   7  -5.052  -7.980   0.744
   59    HG3  GLU   7           HG3      GLU   7  -4.307  -9.386   1.499
   60    H    LYS   8           H        LYS   8  -2.238  -5.878   1.771
   61    HA   LYS   8           HA       LYS   8  -0.172  -4.102   1.359
   62    HB2  LYS   8           HB2      LYS   8   0.170  -4.196   3.763
   63    HB3  LYS   8           HB3      LYS   8  -1.549  -4.309   3.381
   64    HG2  LYS   8           HG2      LYS   8  -1.357  -6.840   3.650
   65    HG3  LYS   8           HG3      LYS   8   0.300  -6.599   4.176
   66    HD2  LYS   8           HD2      LYS   8  -1.214  -6.939   6.060
   67    HD3  LYS   8           HD3      LYS   8  -0.405  -5.380   6.132
   68    HE2  LYS   8           HE2      LYS   8  -2.746  -5.258   6.850
   69    HE3  LYS   8           HE3      LYS   8  -2.427  -4.210   5.465
   70    HZ1  LYS   8           HZ1      LYS   8  -3.573  -5.740   4.029
   71    HZ2  LYS   8           HZ2      LYS   8  -3.565  -6.929   5.020
   72    HZ3  LYS   8           HZ3      LYS   8  -4.535  -5.622   5.362
   73    H    ARG   9           H        ARG   9   2.023  -4.025   1.280
   74    HA   ARG   9           HA       ARG   9   3.700  -6.402   1.624
   75    HB2  ARG   9           HB2      ARG   9   2.557  -5.533  -0.771
   76    HB3  ARG   9           HB3      ARG   9   3.938  -4.484  -0.675
   77    HG2  ARG   9           HG2      ARG   9   4.366  -6.408  -1.979
   78    HG3  ARG   9           HG3      ARG   9   5.431  -6.424  -0.576
   79    HD2  ARG   9           HD2      ARG   9   4.367  -8.644  -1.393
   80    HD3  ARG   9           HD3      ARG   9   4.418  -8.288   0.341
   81    HE   ARG   9           HE       ARG   9   2.005  -7.508   0.100
   82   HH11  ARG   9          HH11      ARG   9   3.103 -10.442  -1.471
   83   HH12  ARG   9          HH12      ARG   9   1.430 -10.910  -1.775
   84   HH21  ARG   9          HH21      ARG   9   0.061  -7.944  -0.855
   85   HH22  ARG   9          HH22      ARG   9  -0.200  -9.586  -1.451
   86    H    MET  10           H        MET  10   6.101  -5.602   1.396
   87    HA   MET  10           HA       MET  10   6.511  -2.796   2.104
   88    HB2  MET  10           HB2      MET  10   7.609  -3.258   4.205
   89    HB3  MET  10           HB3      MET  10   5.939  -3.799   4.269
   90    HG2  MET  10           HG2      MET  10   8.341  -5.622   3.835
   91    HG3  MET  10           HG3      MET  10   7.571  -5.311   5.382
   92    HE1  MET  10           HE1      MET  10   7.495  -7.930   5.746
   93    HE2  MET  10           HE2      MET  10   6.711  -9.060   4.619
   94    HE3  MET  10           HE3      MET  10   8.185  -8.194   4.126
   95    H    PHE  11           H        PHE  11   8.456  -2.021   1.649
   96    HA   PHE  11           HA       PHE  11  10.415  -3.662   0.191
   97    HB2  PHE  11           HB2      PHE  11  10.268  -0.713   0.908
   98    HB3  PHE  11           HB3      PHE  11  11.559  -1.444  -0.027
   99    HD1  PHE  11           HD2      PHE  11  10.895  -2.781  -2.168
  100    HD2  PHE  11           HD1      PHE  11   8.401   0.230  -0.326
  101    HE1  PHE  11           HE2      PHE  11   9.663  -2.487  -4.299
  102    HE2  PHE  11           HE1      PHE  11   7.244   0.561  -2.485
  103    HZ   PHE  11           HZ       PHE  11   7.849  -0.791  -4.456
  104    H    ALA  12           H        ALA  12  12.543  -4.079   0.911
  105    HA   ALA  12           HA       ALA  12  13.051  -4.426   3.645
  106    HB1  ALA  12           HB1      ALA  12  14.147  -5.666   1.814
  107    HB2  ALA  12           HB2      ALA  12  15.000  -4.185   1.311
  108    HB3  ALA  12           HB3      ALA  12  15.344  -4.921   2.889
  109    H    ASN  13           H        ASN  13  13.376  -1.499   1.795
  110    HA   ASN  13           HA       ASN  13  15.164  -0.035   3.520
  111    HB2  ASN  13           HB2      ASN  13  12.831   0.916   1.810
  112    HB3  ASN  13           HB3      ASN  13  14.136   1.921   2.422
  113   HD21  ASN  13          HD21      ASN  13  14.996   1.173  -1.088
  114    H    GLY  14           H        GLY  14  11.948  -1.213   4.105
  115    HA2  GLY  14           HA2      GLY  14  10.526  -0.805   5.905
  116    HA3  GLY  14           HA3      GLY  14  11.513   0.587   6.405
  117    H    THR  15           H        THR  15   9.407  -0.491   3.610
  118    HA   THR  15           HA       THR  15   7.963   2.070   3.772
  119    HB   THR  15           HB       THR  15   9.428   1.294   1.226
  120    HG1  THR  15           HG1      THR  15  10.151   2.739   3.363
  121   HG21  THR  15          HG21      THR  15   7.246   2.407   0.783
  122   HG22  THR  15          HG22      THR  15   7.700   3.720   1.892
  123   HG23  THR  15          HG23      THR  15   8.605   3.467   0.387
  124    H    VAL  16           H        VAL  16   5.838   1.609   3.559
  125    HA   VAL  16           HA       VAL  16   5.124  -1.131   2.724
  126    HB   VAL  16           HB       VAL  16   3.746   1.024   4.352
  127   HG11  VAL  16          HG11      VAL  16   2.544  -1.651   3.500
  128   HG12  VAL  16          HG12      VAL  16   1.897  -0.585   4.762
  129   HG13  VAL  16          HG13      VAL  16   1.925  -0.034   3.088
  130   HG21  VAL  16          HG21      VAL  16   3.878  -0.688   6.120
  131   HG22  VAL  16          HG22      VAL  16   4.588  -1.844   4.975
  132   HG23  VAL  16          HG23      VAL  16   5.490  -0.389   5.460
  133    H    TYR  17           H        TYR  17   3.665  -1.637   1.204
  134    HA   TYR  17           HA       TYR  17   2.262   0.357  -0.403
  135    HB2  TYR  17           HB2      TYR  17   3.244  -0.322  -2.522
  136    HB3  TYR  17           HB3      TYR  17   4.501   0.271  -1.464
  137    HD1  TYR  17           HD1      TYR  17   6.031  -1.218  -0.334
  138    HD2  TYR  17           HD2      TYR  17   3.326  -2.678  -3.363
  139    HE1  TYR  17           HE1      TYR  17   7.537  -3.157  -0.739
  140    HE2  TYR  17           HE2      TYR  17   4.804  -4.688  -3.664
  141    HH   TYR  17           HH       TYR  17   7.868  -5.082  -1.930
  142    H    TYR  18           H        TYR  18   1.181  -1.129  -2.343
  143    HA   TYR  18           HA       TYR  18   0.235  -3.667  -1.094
  144    HB2  TYR  18           HB2      TYR  18  -1.361  -1.602  -2.643
  145    HB3  TYR  18           HB3      TYR  18  -1.967  -3.142  -2.024
  146    HD1  TYR  18           HD2      TYR  18  -0.615   0.192  -1.040
  147    HD2  TYR  18           HD1      TYR  18  -2.513  -3.423   0.329
  148    HE1  TYR  18           HE2      TYR  18  -0.708   1.130   1.213
  149    HE2  TYR  18           HE1      TYR  18  -2.730  -2.436   2.601
  150    HH   TYR  18           HH       TYR  18  -1.269   0.697   3.443
  151    H    PHE  19           H        PHE  19   0.067  -5.421  -2.348
  152    HA   PHE  19           HA       PHE  19   1.113  -5.278  -5.142
  153    HB2  PHE  19           HB2      PHE  19   2.859  -5.679  -3.511
  154    HB3  PHE  19           HB3      PHE  19   1.936  -6.961  -2.772
  155    HD1  PHE  19           HD2      PHE  19   1.581  -9.162  -4.026
  156    HD2  PHE  19           HD1      PHE  19   4.440  -6.170  -5.270
  157    HE1  PHE  19           HE2      PHE  19   2.937 -10.886  -5.214
  158    HE2  PHE  19           HE1      PHE  19   5.681  -7.850  -6.514
  159    HZ   PHE  19           HZ       PHE  19   4.962 -10.240  -6.459
  160    H    ASN  20           H        ASN  20   0.006  -6.368  -6.538
  161    HA   ASN  20           HA       ASN  20  -2.141  -8.203  -5.937
  162    HB2  ASN  20           HB2      ASN  20  -2.101  -6.543  -7.833
  163    HB3  ASN  20           HB3      ASN  20  -0.804  -7.466  -8.563
  164   HD21  ASN  20          HD22      ASN  20  -4.221  -7.454  -7.732
  165   HD22  ASN  20          HD21      ASN  20  -4.667  -8.871  -8.631
  166    H    HIS  21           H        HIS  21  -1.300 -10.045  -4.899
  167    HA   HIS  21           HA       HIS  21   1.006 -11.405  -6.105
  168    HB2  HIS  21           HB2      HIS  21   0.646 -13.087  -4.265
  169    HB3  HIS  21           HB3      HIS  21   1.084 -11.460  -3.822
  170    HD2  HIS  21           HD2      HIS  21  -2.414 -13.121  -4.339
  171    HE1  HIS  21           HE1      HIS  21  -2.375 -11.129  -0.564
  172    HE2  HIS  21           HE2      HIS  21  -3.799 -12.489  -2.175
  173    H    ILE  22           H        ILE  22  -1.298 -11.082  -7.822
  174    HA   ILE  22           HA       ILE  22  -1.462 -13.927  -8.688
  175    HB   ILE  22           HB       ILE  22  -3.452 -11.710  -9.313
  176   HG12  ILE  22          HG12      ILE  22  -3.690 -14.078  -7.406
  177   HG13  ILE  22          HG13      ILE  22  -3.635 -12.374  -6.953
  178   HG21  ILE  22          HG21      ILE  22  -3.504 -14.685  -9.977
  179   HG22  ILE  22          HG22      ILE  22  -4.796 -13.516 -10.340
  180   HG23  ILE  22          HG23      ILE  22  -3.249 -13.363 -11.137
  181   HD11  ILE  22          HD11      ILE  22  -5.900 -13.783  -8.389
  182   HD12  ILE  22          HD12      ILE  22  -5.899 -13.038  -6.788
  183   HD13  ILE  22          HD13      ILE  22  -5.779 -12.012  -8.233
  184    H    THR  23           H        THR  23  -0.465 -10.640  -9.381
  185    HA   THR  23           HA       THR  23   0.597 -11.441 -12.067
  186    HB   THR  23           HB       THR  23   0.010  -9.186 -12.858
  187    HG1  THR  23           HG1      THR  23  -1.423  -8.955 -10.425
  188   HG21  THR  23          HG21      THR  23  -2.460 -10.543 -11.691
  189   HG22  THR  23          HG22      THR  23  -2.396  -9.395 -13.043
  190   HG23  THR  23          HG23      THR  23  -1.657 -10.999 -13.207
  191    H    ASN  24           H        ASN  24   1.295  -9.850  -9.051
  192    HA   ASN  24           HA       ASN  24   3.087  -8.953  -8.163
  193    HB2  ASN  24           HB2      ASN  24   4.541  -8.759 -10.817
  194    HB3  ASN  24           HB3      ASN  24   5.208  -8.587  -9.206
  195   HD21  ASN  24          HD22      ASN  24   3.973 -10.878 -11.562
  196   HD22  ASN  24          HD21      ASN  24   4.741 -12.292 -10.804
  197    H    ALA  25           H        ALA  25   0.948  -7.478 -10.292
  198    HA   ALA  25           HA       ALA  25   2.080  -4.905 -10.653
  199    HB1  ALA  25           HB1      ALA  25  -0.011  -5.688 -11.728
  200    HB2  ALA  25           HB2      ALA  25  -0.830  -5.681 -10.150
  201    HB3  ALA  25           HB3      ALA  25  -0.258  -4.158 -10.860
  202    H    SER  26           H        SER  26   2.548  -3.224  -9.217
  203    HA   SER  26           HA       SER  26   1.502  -3.360  -6.449
  204    HB2  SER  26           HB2      SER  26   4.082  -3.100  -5.869
  205    HB3  SER  26           HB3      SER  26   3.226  -4.638  -5.942
  206    HG   SER  26           HG       SER  26   4.106  -5.061  -7.975
  207    H    GLN  27           H        GLN  27   1.463  -1.517  -5.352
  208    HA   GLN  27           HA       GLN  27   2.711   0.946  -6.215
  209    HB2  GLN  27           HB2      GLN  27   0.063   0.194  -7.306
  210    HB3  GLN  27           HB3      GLN  27  -0.050   1.657  -6.357
  211    HG2  GLN  27           HG2      GLN  27   1.893   1.235  -8.664
  212    HG3  GLN  27           HG3      GLN  27   0.358   2.086  -8.753
  213   HE21  GLN  27          HE22      GLN  27   2.374   3.624  -9.628
  214   HE22  GLN  27          HE21      GLN  27   2.843   4.740  -8.354
  215    H    PHE  28           H        PHE  28   1.838   2.798  -4.896
  216    HA   PHE  28           HA       PHE  28   1.491   1.998  -2.106
  217    HB2  PHE  28           HB2      PHE  28   1.633   4.753  -3.359
  218    HB3  PHE  28           HB3      PHE  28   1.802   4.356  -1.647
  219    HD1  PHE  28           HD1      PHE  28   3.691   2.610  -1.000
  220    HD2  PHE  28           HD2      PHE  28   3.597   4.829  -4.709
  221    HE1  PHE  28           HE1      PHE  28   6.074   2.208  -1.292
  222    HE2  PHE  28           HE2      PHE  28   6.019   4.397  -5.008
  223    HZ   PHE  28           HZ       PHE  28   7.275   3.085  -3.307
  224    H    GLU  29           H        GLU  29  -0.736   2.026  -4.458
  225    HA   GLU  29           HA       GLU  29  -3.017   3.473  -3.644
  226    HB2  GLU  29           HB2      GLU  29  -2.818   2.299  -5.777
  227    HB3  GLU  29           HB3      GLU  29  -2.614   0.760  -4.953
  228    HG2  GLU  29           HG2      GLU  29  -4.793   0.707  -5.768
  229    HG3  GLU  29           HG3      GLU  29  -4.991   1.014  -4.052
  230    H    ARG  30           H        ARG  30  -3.779   3.504  -1.615
  231    HA   ARG  30           HA       ARG  30  -3.508   1.189   0.177
  232    HB2  ARG  30           HB2      ARG  30  -2.569   3.360   0.754
  233    HB3  ARG  30           HB3      ARG  30  -4.131   4.153   0.522
  234    HG2  ARG  30           HG2      ARG  30  -5.044   3.005   2.481
  235    HG3  ARG  30           HG3      ARG  30  -3.505   2.136   2.714
  236    HD2  ARG  30           HD2      ARG  30  -2.326   4.116   3.262
  237    HD3  ARG  30           HD3      ARG  30  -3.589   5.167   2.630
  238    HE   ARG  30           HE       ARG  30  -3.548   3.824   5.252
  239   HH11  ARG  30          HH11      ARG  30  -5.537   5.654   2.991
  240   HH12  ARG  30          HH12      ARG  30  -6.745   6.017   4.212
  241   HH21  ARG  30          HH21      ARG  30  -5.158   4.319   6.771
  242   HH22  ARG  30          HH22      ARG  30  -6.549   5.243   6.245
  243    HA   PRO  31           HA       PRO  31  -7.587  -0.243  -0.052
  244    HB2  PRO  31           HB2      PRO  31  -7.859  -0.074   2.940
  245    HB3  PRO  31           HB3      PRO  31  -8.318  -1.405   1.832
  246    HG2  PRO  31           HG2      PRO  31  -5.979  -1.481   3.200
  247    HG3  PRO  31           HG3      PRO  31  -6.038  -1.985   1.487
  248    HD2  PRO  31           HD2      PRO  31  -5.047   0.586   2.665
  249    HD3  PRO  31           HD3      PRO  31  -4.397  -0.359   1.291
  250    H    SER  32           H        SER  32  -8.133   1.730   2.560
  251    HA   SER  32           HA       SER  32  -9.459   4.023   1.494
  252    HB2  SER  32           HB2      SER  32 -11.324   1.781   2.386
  253    HB3  SER  32           HB3      SER  32 -11.829   3.482   2.313
  254    HG   SER  32           HG       SER  32 -10.587   2.188   0.123
  255    H    GLY  33           H        GLY  33 -10.759   5.209   3.311
  256    HA2  GLY  33           HA2      GLY  33 -10.804   6.150   5.408
  257    HA3  GLY  33           HA3      GLY  33 -10.194   4.630   6.089
  258    H1   NAG 101           H1       NAG  34  12.270   0.760  -0.208
  259    H2   NAG 101           H2       NAG  34  13.164   3.472  -1.350
  260    H3   NAG 101           H3       NAG  34  10.391   2.279  -0.954
  261    H4   NAG 101           H4       NAG  34  11.931   3.059  -3.487
  262    H5   NAG 101           H5       NAG  34  10.945   0.398  -2.386
  263    H61  NAG 101           H61      NAG  34  12.104  -0.729  -4.175
  264    H62  NAG 101           H62      NAG  34  10.983   0.426  -4.899
  265    H81  NAG 101           H2M      NAG  34  11.973   5.306   2.548
  266    H82  NAG 101           H3M      NAG  34  13.712   5.313   2.915
  267    H83  NAG 101           H1M      NAG  34  12.755   3.843   3.190
  268    HN2  NAG 101           H2N      NAG  34  11.522   3.082   1.144
  269    HO3  NAG 101           H3O      NAG  34  10.716   4.679  -0.652
  270    HO4  NAG 101           H4O      NAG  34   9.625   3.422  -3.211
  271    HO6  NAG 101           H6O      NAG  34  13.748   0.927  -4.336
  Start of MODEL    5
    1    H1   LYS   1           H1       LYS   1  -5.266   2.982  -3.783
    2    H2   LYS   1           H2       LYS   1  -6.009   4.221  -2.998
    3    H3   LYS   1           H3       LYS   1  -5.876   4.257  -4.616
    4    HA   LYS   1           HA       LYS   1  -7.591   2.486  -3.016
    5    HB2  LYS   1           HB2      LYS   1  -9.433   3.445  -4.271
    6    HB3  LYS   1           HB3      LYS   1  -8.457   4.732  -3.563
    7    HG2  LYS   1           HG2      LYS   1  -7.245   4.656  -5.957
    8    HG3  LYS   1           HG3      LYS   1  -8.741   3.911  -6.466
    9    HD2  LYS   1           HD2      LYS   1 -10.017   5.845  -5.989
   10    HD3  LYS   1           HD3      LYS   1  -8.778   6.550  -4.937
   11    HE2  LYS   1           HE2      LYS   1  -8.272   6.020  -7.886
   12    HE3  LYS   1           HE3      LYS   1  -9.020   7.524  -7.329
   13    HZ1  LYS   1           HZ1      LYS   1  -6.530   7.594  -7.557
   14    HZ2  LYS   1           HZ2      LYS   1  -7.085   8.044  -6.076
   15    HZ3  LYS   1           HZ3      LYS   1  -6.400   6.582  -6.257
   16    H    LEU   2           H        LEU   2  -8.251   0.471  -3.819
   17    HA   LEU   2           HA       LEU   2  -7.543  -0.339  -6.494
   18    HB2  LEU   2           HB2      LEU   2  -5.821  -2.006  -5.626
   19    HB3  LEU   2           HB3      LEU   2  -5.359  -0.327  -5.710
   20    HG   LEU   2           HG       LEU   2  -5.829  -0.187  -3.139
   21   HD11  LEU   2          HD11      LEU   2  -7.057  -2.099  -2.592
   22   HD12  LEU   2          HD12      LEU   2  -6.058  -3.167  -3.559
   23   HD13  LEU   2          HD13      LEU   2  -5.418  -2.485  -2.056
   24   HD21  LEU   2          HD21      LEU   2  -3.581  -1.851  -4.263
   25   HD22  LEU   2          HD22      LEU   2  -3.659  -0.082  -4.132
   26   HD23  LEU   2          HD23      LEU   2  -3.646  -1.047  -2.670
   27    HA   PRO   3           HA       PRO   3 -10.454  -3.492  -5.277
   28    HB2  PRO   3           HB2      PRO   3 -10.307  -5.250  -7.341
   29    HB3  PRO   3           HB3      PRO   3 -10.796  -3.548  -7.601
   30    HG2  PRO   3           HG2      PRO   3  -8.047  -4.778  -7.954
   31    HG3  PRO   3           HG3      PRO   3  -8.955  -3.771  -9.124
   32    HD2  PRO   3           HD2      PRO   3  -7.069  -2.723  -7.420
   33    HD3  PRO   3           HD3      PRO   3  -8.515  -1.807  -7.932
   34    HA   PRO   4           HA       PRO   4  -8.790  -7.110  -3.161
   35    HB2  PRO   4           HB2      PRO   4 -10.666  -8.699  -4.929
   36    HB3  PRO   4           HB3      PRO   4 -10.355  -8.878  -3.171
   37    HG2  PRO   4           HG2      PRO   4 -12.550  -7.548  -4.014
   38    HG3  PRO   4           HG3      PRO   4 -11.559  -6.864  -2.682
   39    HD2  PRO   4           HD2      PRO   4 -11.568  -6.104  -5.606
   40    HD3  PRO   4           HD3      PRO   4 -11.526  -5.048  -4.162
   41    H    GLY   5           H        GLY   5  -7.150  -8.550  -3.393
   42    HA2  GLY   5           HA2      GLY   5  -5.864 -10.188  -4.712
   43    HA3  GLY   5           HA3      GLY   5  -6.104  -9.158  -6.133
   44    H    TRP   6           H        TRP   6  -5.701  -6.622  -4.798
   45    HA   TRP   6           HA       TRP   6  -2.781  -6.488  -4.468
   46    HB2  TRP   6           HB2      TRP   6  -5.069  -4.602  -4.764
   47    HB3  TRP   6           HB3      TRP   6  -3.691  -4.041  -3.835
   48    HD1  TRP   6           HD1      TRP   6  -1.352  -3.799  -5.134
   49    HE1  TRP   6           HE1      TRP   6  -0.810  -3.363  -7.596
   50    HE3  TRP   6           HE3      TRP   6  -5.863  -5.047  -7.164
   51    HZ2  TRP   6           HZ2      TRP   6  -2.210  -3.392 -10.127
   52    HZ3  TRP   6           HZ3      TRP   6  -6.224  -4.874  -9.632
   53    HH2  TRP   6           HH2      TRP   6  -4.409  -4.051 -11.105
   54    H    GLU   7           H        GLU   7  -1.914  -7.105  -2.555
   55    HA   GLU   7           HA       GLU   7  -3.494  -6.676  -0.067
   56    HB2  GLU   7           HB2      GLU   7  -3.035  -8.988  -1.068
   57    HB3  GLU   7           HB3      GLU   7  -1.343  -8.740  -0.619
   58    HG2  GLU   7           HG2      GLU   7  -2.124  -8.412   1.769
   59    HG3  GLU   7           HG3      GLU   7  -3.770  -8.757   1.237
   60    H    LYS   8           H        LYS   8  -2.547  -5.794   1.726
   61    HA   LYS   8           HA       LYS   8  -0.618  -3.798   1.426
   62    HB2  LYS   8           HB2      LYS   8  -2.427  -3.954   3.169
   63    HB3  LYS   8           HB3      LYS   8  -1.447  -5.159   4.019
   64    HG2  LYS   8           HG2      LYS   8   0.423  -3.362   4.066
   65    HG3  LYS   8           HG3      LYS   8  -0.803  -2.215   3.525
   66    HD2  LYS   8           HD2      LYS   8  -0.884  -3.913   6.058
   67    HD3  LYS   8           HD3      LYS   8  -0.440  -2.214   6.002
   68    HE2  LYS   8           HE2      LYS   8  -3.175  -3.263   5.139
   69    HE3  LYS   8           HE3      LYS   8  -2.804  -2.756   6.787
   70    HZ1  LYS   8           HZ1      LYS   8  -2.659  -1.007   4.395
   71    HZ2  LYS   8           HZ2      LYS   8  -3.822  -0.983   5.528
   72    HZ3  LYS   8           HZ3      LYS   8  -2.288  -0.546   5.944
   73    H    ARG   9           H        ARG   9   1.568  -3.795   1.289
   74    HA   ARG   9           HA       ARG   9   3.205  -6.013   2.346
   75    HB2  ARG   9           HB2      ARG   9   2.261  -5.693  -0.260
   76    HB3  ARG   9           HB3      ARG   9   3.657  -4.654  -0.292
   77    HG2  ARG   9           HG2      ARG   9   4.434  -6.604  -1.062
   78    HG3  ARG   9           HG3      ARG   9   4.956  -6.721   0.614
   79    HD2  ARG   9           HD2      ARG   9   2.910  -8.296  -0.951
   80    HD3  ARG   9           HD3      ARG   9   4.121  -8.888   0.177
   81    HE   ARG   9           HE       ARG   9   2.230  -7.438   1.706
   82   HH11  ARG   9          HH21      ARG   9   1.750 -10.301  -0.410
   83   HH12  ARG   9          HH22      ARG   9   0.306 -10.647   0.582
   84   HH21  ARG   9          HH12      ARG   9   0.486  -8.130   2.711
   85   HH22  ARG   9          HH11      ARG   9  -0.246  -9.678   2.147
   86    H    MET  10           H        MET  10   5.606  -5.417   2.193
   87    HA   MET  10           HA       MET  10   6.163  -2.571   2.683
   88    HB2  MET  10           HB2      MET  10   5.145  -3.389   4.756
   89    HB3  MET  10           HB3      MET  10   6.278  -4.733   4.835
   90    HG2  MET  10           HG2      MET  10   7.308  -1.886   4.774
   91    HG3  MET  10           HG3      MET  10   6.624  -2.553   6.256
   92    HE1  MET  10           HE1      MET  10   8.845  -2.064   7.593
   93    HE2  MET  10           HE2      MET  10  10.453  -2.569   7.021
   94    HE3  MET  10           HE3      MET  10   9.523  -1.368   6.100
   95    H    PHE  11           H        PHE  11   8.139  -2.069   2.090
   96    HA   PHE  11           HA       PHE  11  10.159  -4.085   1.351
   97    HB2  PHE  11           HB2      PHE  11  10.039  -1.060   1.120
   98    HB3  PHE  11           HB3      PHE  11  11.389  -2.053   0.600
   99    HD1  PHE  11           HD1      PHE  11  10.840  -4.024  -1.066
  100    HD2  PHE  11           HD2      PHE  11   8.395  -0.493  -0.535
  101    HE1  PHE  11           HE1      PHE  11   9.906  -4.318  -3.343
  102    HE2  PHE  11           HE2      PHE  11   7.508  -0.794  -2.832
  103    HZ   PHE  11           HZ       PHE  11   8.256  -2.684  -4.228
  104    H    ALA  12           H        ALA  12  11.895  -4.566   2.701
  105    HA   ALA  12           HA       ALA  12  12.266  -3.609   5.301
  106    HB1  ALA  12           HB1      ALA  12  14.313  -4.758   3.353
  107    HB2  ALA  12           HB2      ALA  12  14.477  -4.680   5.119
  108    HB3  ALA  12           HB3      ALA  12  13.216  -5.696   4.396
  109    H    ASN  13           H        ASN  13  13.106  -2.046   2.354
  110    HA   ASN  13           HA       ASN  13  15.024  -0.083   3.147
  111    HB2  ASN  13           HB2      ASN  13  14.394  -0.810   0.832
  112    HB3  ASN  13           HB3      ASN  13  12.770  -0.196   1.118
  113   HD21  ASN  13          HD21      ASN  13  14.003   2.725  -0.564
  114    H    GLY  14           H        GLY  14  11.764  -0.517   4.210
  115    HA2  GLY  14           HA2      GLY  14  10.574   0.764   5.738
  116    HA3  GLY  14           HA3      GLY  14  11.653   2.144   5.468
  117    H    THR  15           H        THR  15   9.379   0.106   3.404
  118    HA   THR  15           HA       THR  15   7.883   2.570   2.751
  119    HB   THR  15           HB       THR  15   9.427   1.036   0.643
  120    HG1  THR  15           HG1      THR  15  10.005   3.115   2.154
  121   HG21  THR  15          HG21      THR  15   7.168   1.717  -0.205
  122   HG22  THR  15          HG22      THR  15   7.509   3.385   0.301
  123   HG23  THR  15          HG23      THR  15   8.482   2.616  -0.972
  124    H    VAL  16           H        VAL  16   5.775   2.086   2.799
  125    HA   VAL  16           HA       VAL  16   4.936  -0.744   2.507
  126    HB   VAL  16           HB       VAL  16   3.741   1.687   3.839
  127   HG11  VAL  16          HG11      VAL  16   2.198  -0.866   3.185
  128   HG12  VAL  16          HG12      VAL  16   1.687   0.387   4.332
  129   HG13  VAL  16          HG13      VAL  16   1.812   0.777   2.618
  130   HG21  VAL  16          HG21      VAL  16   5.270   0.117   5.074
  131   HG22  VAL  16          HG22      VAL  16   3.629   0.133   5.742
  132   HG23  VAL  16          HG23      VAL  16   4.143  -1.212   4.702
  133    H    TYR  17           H        TYR  17   3.399  -1.404   1.112
  134    HA   TYR  17           HA       TYR  17   2.272   0.337  -0.942
  135    HB2  TYR  17           HB2      TYR  17   3.335  -0.820  -2.804
  136    HB3  TYR  17           HB3      TYR  17   4.557  -0.089  -1.781
  137    HD1  TYR  17           HD1      TYR  17   5.822  -1.480  -0.117
  138    HD2  TYR  17           HD2      TYR  17   3.510  -3.205  -3.324
  139    HE1  TYR  17           HE1      TYR  17   7.207  -3.523  -0.011
  140    HE2  TYR  17           HE2      TYR  17   4.975  -5.233  -3.261
  141    HH   TYR  17           HH       TYR  17   7.742  -5.494  -1.058
  142    H    TYR  18           H        TYR  18   1.005  -1.210  -2.520
  143    HA   TYR  18           HA       TYR  18   0.105  -3.688  -1.133
  144    HB2  TYR  18           HB2      TYR  18  -1.343  -1.831  -3.037
  145    HB3  TYR  18           HB3      TYR  18  -1.940  -3.414  -2.532
  146    HD1  TYR  18           HD2      TYR  18  -0.618  -0.230  -1.023
  147    HD2  TYR  18           HD1      TYR  18  -3.424  -3.487  -0.705
  148    HE1  TYR  18           HE2      TYR  18  -1.215   0.541   1.178
  149    HE2  TYR  18           HE1      TYR  18  -4.284  -2.508   1.411
  150    HH   TYR  18           HH       TYR  18  -4.150  -0.707   2.936
  151    H    PHE  19           H        PHE  19   0.140  -5.583  -2.203
  152    HA   PHE  19           HA       PHE  19   1.445  -5.609  -4.902
  153    HB2  PHE  19           HB2      PHE  19   2.861  -6.216  -2.961
  154    HB3  PHE  19           HB3      PHE  19   1.705  -7.470  -2.527
  155    HD1  PHE  19           HD2      PHE  19   4.024  -6.340  -5.261
  156    HD2  PHE  19           HD1      PHE  19   1.822  -9.626  -3.531
  157    HE1  PHE  19           HE2      PHE  19   5.260  -7.932  -6.699
  158    HE2  PHE  19           HE1      PHE  19   3.062 -11.221  -4.982
  159    HZ   PHE  19           HZ       PHE  19   4.798 -10.379  -6.547
  160    H    ASN  20           H        ASN  20   0.121  -6.343  -6.460
  161    HA   ASN  20           HA       ASN  20  -2.211  -7.950  -5.938
  162    HB2  ASN  20           HB2      ASN  20  -2.008  -6.271  -7.754
  163    HB3  ASN  20           HB3      ASN  20  -0.816  -7.282  -8.539
  164   HD21  ASN  20          HD22      ASN  20  -4.177  -6.578  -8.430
  165   HD22  ASN  20          HD21      ASN  20  -4.678  -8.089  -9.161
  166    H    HIS  21           H        HIS  21  -1.523  -9.874  -4.866
  167    HA   HIS  21           HA       HIS  21   0.688 -11.413  -5.960
  168    HB2  HIS  21           HB2      HIS  21   0.091 -13.083  -4.253
  169    HB3  HIS  21           HB3      HIS  21   0.302 -11.463  -3.622
  170    HD2  HIS  21           HD2      HIS  21  -2.678 -13.787  -4.621
  171    HE1  HIS  21           HE1      HIS  21  -3.887 -11.299  -1.366
  172    HE2  HIS  21           HE2      HIS  21  -4.599 -13.213  -2.890
  173    H    ILE  22           H        ILE  22  -2.085 -10.975  -7.549
  174    HA   ILE  22           HA       ILE  22  -2.291 -13.758  -8.568
  175    HB   ILE  22           HB       ILE  22  -3.933 -11.306  -9.314
  176   HG12  ILE  22          HG12      ILE  22  -4.639 -13.504  -7.317
  177   HG13  ILE  22          HG13      ILE  22  -4.238 -11.841  -6.894
  178   HG21  ILE  22          HG21      ILE  22  -4.421 -14.277  -9.792
  179   HG22  ILE  22          HG22      ILE  22  -5.518 -12.955 -10.256
  180   HG23  ILE  22          HG23      ILE  22  -3.954 -13.087 -11.025
  181   HD11  ILE  22          HD11      ILE  22  -6.715 -12.741  -8.380
  182   HD12  ILE  22          HD12      ILE  22  -6.587 -12.018  -6.773
  183   HD13  ILE  22          HD13      ILE  22  -6.212 -11.038  -8.203
  184    H    THR  23           H        THR  23  -0.812 -10.665  -9.221
  185    HA   THR  23           HA       THR  23   0.061 -11.569 -11.957
  186    HB   THR  23           HB       THR  23  -0.239  -9.245 -12.723
  187    HG1  THR  23           HG1      THR  23  -1.578  -8.868 -10.262
  188   HG21  THR  23          HG21      THR  23  -2.838 -10.282 -11.510
  189   HG22  THR  23          HG22      THR  23  -2.654  -9.140 -12.857
  190   HG23  THR  23          HG23      THR  23  -2.134 -10.826 -13.047
  191    H    ASN  24           H        ASN  24   1.021 -10.069  -8.986
  192    HA   ASN  24           HA       ASN  24   2.927  -9.424  -8.122
  193    HB2  ASN  24           HB2      ASN  24   4.356  -9.460 -10.800
  194    HB3  ASN  24           HB3      ASN  24   5.067  -9.354  -9.204
  195   HD21  ASN  24          HD22      ASN  24   3.498 -11.493 -11.495
  196   HD22  ASN  24          HD21      ASN  24   4.055 -12.988 -10.706
  197    H    ALA  25           H        ALA  25   0.930  -7.673 -10.106
  198    HA   ALA  25           HA       ALA  25   2.482  -5.300 -10.516
  199    HB1  ALA  25           HB1      ALA  25  -0.535  -5.655 -10.242
  200    HB2  ALA  25           HB2      ALA  25   0.300  -4.255 -10.946
  201    HB3  ALA  25           HB3      ALA  25   0.403  -5.840 -11.738
  202    H    SER  26           H        SER  26   3.092  -3.661  -9.117
  203    HA   SER  26           HA       SER  26   2.036  -3.744  -6.344
  204    HB2  SER  26           HB2      SER  26   4.160  -2.766  -5.712
  205    HB3  SER  26           HB3      SER  26   4.428  -4.235  -6.648
  206    HG   SER  26           HG       SER  26   4.278  -1.703  -7.911
  207    H    GLN  27           H        GLN  27   0.963  -2.047  -5.500
  208    HA   GLN  27           HA       GLN  27   0.934   0.578  -6.936
  209    HB2  GLN  27           HB2      GLN  27  -1.126  -0.591  -7.420
  210    HB3  GLN  27           HB3      GLN  27  -1.339  -1.037  -5.728
  211    HG2  GLN  27           HG2      GLN  27  -2.875   0.748  -6.373
  212    HG3  GLN  27           HG3      GLN  27  -1.785   1.273  -5.101
  213   HE21  GLN  27          HE22      GLN  27  -2.916   1.950  -8.369
  214   HE22  GLN  27          HE21      GLN  27  -1.797   3.287  -8.597
  215    H    PHE  28           H        PHE  28   1.532   2.258  -5.668
  216    HA   PHE  28           HA       PHE  28   1.966   1.866  -2.774
  217    HB2  PHE  28           HB2      PHE  28   2.495   4.205  -4.637
  218    HB3  PHE  28           HB3      PHE  28   2.864   4.184  -2.916
  219    HD1  PHE  28           HD2      PHE  28   4.435   2.377  -1.989
  220    HD2  PHE  28           HD1      PHE  28   4.068   3.259  -6.202
  221    HE1  PHE  28           HE2      PHE  28   6.586   1.263  -2.412
  222    HE2  PHE  28           HE1      PHE  28   6.247   2.149  -6.614
  223    HZ   PHE  28           HZ       PHE  28   7.522   1.159  -4.723
  224    H    GLU  29           H        GLU  29  -0.418   3.493  -4.924
  225    HA   GLU  29           HA       GLU  29  -1.399   5.201  -2.787
  226    HB2  GLU  29           HB2      GLU  29  -1.364   5.543  -5.333
  227    HB3  GLU  29           HB3      GLU  29  -2.792   4.527  -5.415
  228    HG2  GLU  29           HG2      GLU  29  -2.632   7.006  -3.637
  229    HG3  GLU  29           HG3      GLU  29  -3.014   7.118  -5.354
  230    H    ARG  30           H        ARG  30  -2.277   4.276  -1.066
  231    HA   ARG  30           HA       ARG  30  -3.402   1.700  -1.047
  232    HB2  ARG  30           HB2      ARG  30  -3.414   1.894   1.281
  233    HB3  ARG  30           HB3      ARG  30  -2.036   2.816   0.735
  234    HG2  ARG  30           HG2      ARG  30  -4.699   3.942   1.732
  235    HG3  ARG  30           HG3      ARG  30  -3.205   3.778   2.634
  236    HD2  ARG  30           HD2      ARG  30  -3.189   5.988   2.111
  237    HD3  ARG  30           HD3      ARG  30  -2.132   5.328   0.864
  238    HE   ARG  30           HE       ARG  30  -4.464   5.330  -0.500
  239   HH11  ARG  30          HH11      ARG  30  -3.523   7.851   1.757
  240   HH12  ARG  30          HH12      ARG  30  -4.366   9.088   0.864
  241   HH21  ARG  30          HH21      ARG  30  -5.182   6.957  -1.741
  242   HH22  ARG  30          HH22      ARG  30  -5.405   8.570  -1.066
  243    HA   PRO  31           HA       PRO  31  -7.885   2.502  -0.954
  244    HB2  PRO  31           HB2      PRO  31  -8.823   0.127  -0.129
  245    HB3  PRO  31           HB3      PRO  31  -7.853   0.193  -1.628
  246    HG2  PRO  31           HG2      PRO  31  -6.899  -0.510   1.175
  247    HG3  PRO  31           HG3      PRO  31  -6.643  -1.438  -0.322
  248    HD2  PRO  31           HD2      PRO  31  -4.868   0.411   0.727
  249    HD3  PRO  31           HD3      PRO  31  -4.928   0.006  -1.011
  250    H    SER  32           H        SER  32  -9.754   1.962   0.888
  251    HA   SER  32           HA       SER  32  -8.891   3.124   3.425
  252    HB2  SER  32           HB2      SER  32 -11.262   2.923   3.995
  253    HB3  SER  32           HB3      SER  32 -11.087   3.667   2.392
  254    HG   SER  32           HG       SER  32 -11.545   0.931   2.948
  255    H    GLY  33           H        GLY  33  -7.227   1.253   3.479
  256    HA2  GLY  33           HA2      GLY  33  -7.874  -0.734   5.448
  257    HA3  GLY  33           HA3      GLY  33  -7.908  -1.455   3.831
  258    H1   NAG 101           H1       NAG  34  11.810   0.812  -0.339
  259    H2   NAG 101           H2       NAG  34  12.588   2.609  -2.693
  260    H3   NAG 101           H3       NAG  34  10.107   0.906  -2.121
  261    H4   NAG 101           H4       NAG  34  12.261   0.821  -4.291
  262    H5   NAG 101           H5       NAG  34  11.484  -1.132  -2.077
  263    H61  NAG 101           H61      NAG  34  13.244  -2.549  -2.732
  264    H62  NAG 101           H62      NAG  34  12.514  -2.116  -4.282
  265    H81  NAG 101           H2M      NAG  34   9.312   5.316  -0.652
  266    H82  NAG 101           H3M      NAG  34  10.332   6.506  -1.490
  267    H83  NAG 101           H1M      NAG  34  10.961   5.646  -0.070
  268    HN2  NAG 101           H2N      NAG  34  10.973   3.164  -0.303
  269    HO3  NAG 101           H3O      NAG  34  10.342   3.173  -3.614
  270    HO4  NAG 101           H4O      NAG  34   9.936   0.402  -4.655
  271    HO6  NAG 101           H6O      NAG  34  14.575  -0.572  -3.083
  Start of MODEL    6
    1    H1   LYS   1           H1       LYS   1  -7.442   3.999  -2.380
    2    H2   LYS   1           H2       LYS   1  -7.321   3.154  -0.980
    3    H3   LYS   1           H3       LYS   1  -8.590   4.195  -1.202
    4    HA   LYS   1           HA       LYS   1  -9.186   1.876  -1.360
    5    HB2  LYS   1           HB2      LYS   1 -10.786   2.164  -2.918
    6    HB3  LYS   1           HB3      LYS   1 -10.425   3.820  -2.546
    7    HG2  LYS   1           HG2      LYS   1  -9.603   2.239  -5.005
    8    HG3  LYS   1           HG3      LYS   1 -10.845   3.460  -4.922
    9    HD2  LYS   1           HD2      LYS   1  -7.867   4.060  -4.609
   10    HD3  LYS   1           HD3      LYS   1  -8.759   4.089  -6.101
   11    HE2  LYS   1           HE2      LYS   1  -8.912   6.260  -5.710
   12    HE3  LYS   1           HE3      LYS   1 -10.358   5.789  -4.812
   13    HZ1  LYS   1           HZ1      LYS   1  -8.713   7.336  -3.659
   14    HZ2  LYS   1           HZ2      LYS   1  -9.146   6.034  -2.769
   15    HZ3  LYS   1           HZ3      LYS   1  -7.691   6.040  -3.509
   16    H    LEU   2           H        LEU   2  -9.080  -0.177  -2.434
   17    HA   LEU   2           HA       LEU   2  -7.581  -0.418  -4.842
   18    HB2  LEU   2           HB2      LEU   2  -5.980  -2.113  -4.049
   19    HB3  LEU   2           HB3      LEU   2  -5.678  -0.489  -3.486
   20    HG   LEU   2           HG       LEU   2  -6.558  -1.140  -1.198
   21   HD11  LEU   2          HD11      LEU   2  -7.914  -3.107  -1.503
   22   HD12  LEU   2          HD12      LEU   2  -6.651  -3.909  -2.463
   23   HD13  LEU   2          HD13      LEU   2  -6.417  -3.659  -0.736
   24   HD21  LEU   2          HD21      LEU   2  -4.575  -2.295  -0.624
   25   HD22  LEU   2          HD22      LEU   2  -4.290  -2.799  -2.295
   26   HD23  LEU   2          HD23      LEU   2  -4.183  -1.084  -1.845
   27    HA   PRO   3           HA       PRO   3 -10.521  -3.791  -4.987
   28    HB2  PRO   3           HB2      PRO   3  -9.805  -5.071  -7.286
   29    HB3  PRO   3           HB3      PRO   3 -10.443  -3.399  -7.282
   30    HG2  PRO   3           HG2      PRO   3  -7.580  -4.324  -7.441
   31    HG3  PRO   3           HG3      PRO   3  -8.388  -3.071  -8.424
   32    HD2  PRO   3           HD2      PRO   3  -6.842  -2.524  -6.182
   33    HD3  PRO   3           HD3      PRO   3  -8.180  -1.477  -6.746
   34    HA   PRO   4           HA       PRO   4  -8.878  -7.387  -3.052
   35    HB2  PRO   4           HB2      PRO   4 -10.179  -9.546  -4.220
   36    HB3  PRO   4           HB3      PRO   4 -10.897  -8.431  -3.019
   37    HG2  PRO   4           HG2      PRO   4 -11.124  -8.319  -6.037
   38    HG3  PRO   4           HG3      PRO   4 -12.432  -8.161  -4.818
   39    HD2  PRO   4           HD2      PRO   4 -11.339  -5.982  -5.954
   40    HD3  PRO   4           HD3      PRO   4 -11.710  -5.979  -4.206
   41    H    GLY   5           H        GLY   5  -7.174  -8.727  -3.129
   42    HA2  GLY   5           HA2      GLY   5  -5.679 -10.287  -4.194
   43    HA3  GLY   5           HA3      GLY   5  -5.955  -9.489  -5.742
   44    H    TRP   6           H        TRP   6  -5.694  -6.733  -4.226
   45    HA   TRP   6           HA       TRP   6  -2.765  -6.532  -4.275
   46    HB2  TRP   6           HB2      TRP   6  -4.997  -4.520  -3.890
   47    HB3  TRP   6           HB3      TRP   6  -3.284  -4.146  -3.919
   48    HD1  TRP   6           HD1      TRP   6  -6.030  -5.491  -6.225
   49    HE1  TRP   6           HE1      TRP   6  -5.524  -4.759  -8.652
   50    HE3  TRP   6           HE3      TRP   6  -1.411  -3.389  -5.511
   51    HZ2  TRP   6           HZ2      TRP   6  -3.402  -3.471 -10.081
   52    HZ3  TRP   6           HZ3      TRP   6  -0.175  -2.435  -7.436
   53    HH2  TRP   6           HH2      TRP   6  -1.156  -2.451  -9.708
   54    H    GLU   7           H        GLU   7  -1.758  -7.283  -2.454
   55    HA   GLU   7           HA       GLU   7  -3.081  -6.813   0.180
   56    HB2  GLU   7           HB2      GLU   7  -3.115  -9.097  -0.806
   57    HB3  GLU   7           HB3      GLU   7  -1.370  -9.159  -0.716
   58    HG2  GLU   7           HG2      GLU   7  -3.249  -8.777   1.661
   59    HG3  GLU   7           HG3      GLU   7  -2.669 -10.346   1.108
   60    H    LYS   8           H        LYS   8  -1.755  -6.552   2.009
   61    HA   LYS   8           HA       LYS   8   0.010  -4.379   1.771
   62    HB2  LYS   8           HB2      LYS   8  -1.438  -4.542   3.577
   63    HB3  LYS   8           HB3      LYS   8  -1.011  -6.167   3.987
   64    HG2  LYS   8           HG2      LYS   8   0.898  -3.825   4.337
   65    HG3  LYS   8           HG3      LYS   8  -0.314  -4.267   5.526
   66    HD2  LYS   8           HD2      LYS   8   2.160  -5.848   4.781
   67    HD3  LYS   8           HD3      LYS   8   1.714  -5.119   6.294
   68    HE2  LYS   8           HE2      LYS   8   1.370  -7.334   6.735
   69    HE3  LYS   8           HE3      LYS   8  -0.271  -6.785   6.391
   70    HZ1  LYS   8           HZ1      LYS   8   0.717  -8.952   5.271
   71    HZ2  LYS   8           HZ2      LYS   8  -0.275  -8.016   4.378
   72    HZ3  LYS   8           HZ3      LYS   8   1.295  -7.860   4.154
   73    H    ARG   9           H        ARG   9   2.078  -4.274   1.206
   74    HA   ARG   9           HA       ARG   9   3.953  -6.497   1.766
   75    HB2  ARG   9           HB2      ARG   9   2.765  -6.123  -0.570
   76    HB3  ARG   9           HB3      ARG   9   3.785  -4.712  -0.679
   77    HG2  ARG   9           HG2      ARG   9   4.783  -6.434  -1.884
   78    HG3  ARG   9           HG3      ARG   9   5.795  -6.225  -0.463
   79    HD2  ARG   9           HD2      ARG   9   5.535  -8.577  -1.074
   80    HD3  ARG   9           HD3      ARG   9   4.876  -8.246   0.530
   81    HE   ARG   9           HE       ARG   9   3.255  -8.607  -1.980
   82   HH11  ARG   9          HH11      ARG   9   3.372  -9.133   1.552
   83   HH12  ARG   9          HH12      ARG   9   1.624  -9.454   1.522
   84   HH21  ARG   9          HH21      ARG   9   0.945  -8.989  -1.643
   85   HH22  ARG   9          HH22      ARG   9   0.543  -9.528  -0.009
   86    H    MET  10           H        MET  10   6.320  -5.666   1.428
   87    HA   MET  10           HA       MET  10   6.717  -2.881   2.280
   88    HB2  MET  10           HB2      MET  10   6.019  -4.237   4.277
   89    HB3  MET  10           HB3      MET  10   7.436  -5.262   4.043
   90    HG2  MET  10           HG2      MET  10   8.921  -3.402   4.528
   91    HG3  MET  10           HG3      MET  10   7.571  -2.252   4.482
   92    HE1  MET  10           HE1      MET  10   9.648  -2.452   7.012
   93    HE2  MET  10           HE2      MET  10   8.330  -1.265   6.801
   94    HE3  MET  10           HE3      MET  10   8.457  -2.204   8.304
   95    H    PHE  11           H        PHE  11   8.617  -2.116   1.606
   96    HA   PHE  11           HA       PHE  11  10.512  -3.799   0.133
   97    HB2  PHE  11           HB2      PHE  11  10.272  -0.844   0.675
   98    HB3  PHE  11           HB3      PHE  11  11.613  -1.543  -0.210
   99    HD1  PHE  11           HD1      PHE  11  10.961  -3.165  -2.227
  100    HD2  PHE  11           HD2      PHE  11   8.409  -0.047  -0.641
  101    HE1  PHE  11           HE1      PHE  11   9.776  -3.005  -4.398
  102    HE2  PHE  11           HE2      PHE  11   7.296   0.130  -2.836
  103    HZ   PHE  11           HZ       PHE  11   7.970  -1.321  -4.707
  104    H    ALA  12           H        ALA  12  12.816  -3.865   0.597
  105    HA   ALA  12           HA       ALA  12  13.496  -4.362   3.273
  106    HB1  ALA  12           HB1      ALA  12  15.772  -4.621   2.369
  107    HB2  ALA  12           HB2      ALA  12  14.577  -5.377   1.302
  108    HB3  ALA  12           HB3      ALA  12  15.289  -3.802   0.869
  109    H    ASN  13           H        ASN  13  13.371  -1.257   1.748
  110    HA   ASN  13           HA       ASN  13  15.168   0.030   3.705
  111    HB2  ASN  13           HB2      ASN  13  14.604   2.090   2.485
  112    HB3  ASN  13           HB3      ASN  13  15.175   0.831   1.393
  113   HD21  ASN  13          HD21      ASN  13  14.117   2.192  -0.307
  114    H    GLY  14           H        GLY  14  12.058  -1.225   3.932
  115    HA2  GLY  14           HA2      GLY  14  10.749  -1.022   5.843
  116    HA3  GLY  14           HA3      GLY  14  11.356   0.602   6.154
  117    H    THR  15           H        THR  15  10.314   0.070   2.824
  118    HA   THR  15           HA       THR  15   8.194   2.078   3.342
  119    HB   THR  15           HB       THR  15   9.408   1.097   0.753
  120    HG1  THR  15           HG1      THR  15  10.926   2.034   1.842
  121   HG21  THR  15          HG21      THR  15   7.153   2.200   0.474
  122   HG22  THR  15          HG22      THR  15   7.841   3.651   1.236
  123   HG23  THR  15          HG23      THR  15   8.502   3.039  -0.305
  124    H    VAL  16           H        VAL  16   6.068   1.512   3.437
  125    HA   VAL  16           HA       VAL  16   5.308  -1.222   2.615
  126    HB   VAL  16           HB       VAL  16   4.101   0.851   4.450
  127   HG11  VAL  16          HG11      VAL  16   2.210  -0.695   4.891
  128   HG12  VAL  16          HG12      VAL  16   2.133  -0.020   3.264
  129   HG13  VAL  16          HG13      VAL  16   2.697  -1.691   3.506
  130   HG21  VAL  16          HG21      VAL  16   4.280  -1.009   6.062
  131   HG22  VAL  16          HG22      VAL  16   4.826  -2.099   4.771
  132   HG23  VAL  16          HG23      VAL  16   5.847  -0.732   5.291
  133    H    TYR  17           H        TYR  17   3.718  -1.732   1.242
  134    HA   TYR  17           HA       TYR  17   2.250   0.250  -0.333
  135    HB2  TYR  17           HB2      TYR  17   3.198  -0.504  -2.466
  136    HB3  TYR  17           HB3      TYR  17   4.446   0.181  -1.454
  137    HD1  TYR  17           HD1      TYR  17   6.053  -1.283  -0.240
  138    HD2  TYR  17           HD2      TYR  17   3.411  -2.809  -3.285
  139    HE1  TYR  17           HE1      TYR  17   7.601  -3.157  -0.629
  140    HE2  TYR  17           HE2      TYR  17   4.989  -4.732  -3.655
  141    HH   TYR  17           HH       TYR  17   8.113  -4.929  -1.995
  142    H    TYR  18           H        TYR  18   0.911  -1.108  -2.062
  143    HA   TYR  18           HA       TYR  18   0.309  -3.820  -0.990
  144    HB2  TYR  18           HB2      TYR  18  -1.475  -1.808  -2.367
  145    HB3  TYR  18           HB3      TYR  18  -1.902  -3.502  -2.097
  146    HD1  TYR  18           HD2      TYR  18  -0.680  -0.467  -0.267
  147    HD2  TYR  18           HD1      TYR  18  -2.940  -4.133  -0.052
  148    HE1  TYR  18           HE2      TYR  18  -1.004  -0.076   2.079
  149    HE2  TYR  18           HE1      TYR  18  -3.475  -3.635   2.315
  150    HH   TYR  18           HH       TYR  18  -1.964  -0.914   4.075
  151    H    PHE  19           H        PHE  19   0.315  -5.519  -2.178
  152    HA   PHE  19           HA       PHE  19   1.449  -5.357  -4.932
  153    HB2  PHE  19           HB2      PHE  19   3.029  -5.929  -3.199
  154    HB3  PHE  19           HB3      PHE  19   1.949  -7.152  -2.557
  155    HD1  PHE  19           HD2      PHE  19   1.639  -9.350  -3.745
  156    HD2  PHE  19           HD1      PHE  19   4.391  -6.342  -5.178
  157    HE1  PHE  19           HE2      PHE  19   2.864 -11.069  -5.032
  158    HE2  PHE  19           HE1      PHE  19   5.588  -8.042  -6.467
  159    HZ   PHE  19           HZ       PHE  19   4.845 -10.440  -6.385
  160    H    ASN  20           H        ASN  20   0.219  -6.214  -6.431
  161    HA   ASN  20           HA       ASN  20  -2.141  -7.789  -5.872
  162    HB2  ASN  20           HB2      ASN  20  -1.967  -6.112  -7.710
  163    HB3  ASN  20           HB3      ASN  20  -0.790  -7.148  -8.498
  164   HD21  ASN  20          HD22      ASN  20  -4.221  -6.758  -7.660
  165   HD22  ASN  20          HD21      ASN  20  -4.736  -8.181  -8.561
  166    H    HIS  21           H        HIS  21  -1.581  -9.755  -4.904
  167    HA   HIS  21           HA       HIS  21   0.649 -11.321  -5.885
  168    HB2  HIS  21           HB2      HIS  21  -0.058 -12.974  -4.234
  169    HB3  HIS  21           HB3      HIS  21   0.051 -11.360  -3.567
  170    HD2  HIS  21           HD2      HIS  21  -2.835 -13.590  -5.019
  171    HE1  HIS  21           HE1      HIS  21  -4.317 -11.431  -1.648
  172    HE2  HIS  21           HE2      HIS  21  -4.903 -13.158  -3.443
  173    H    ILE  22           H        ILE  22  -1.943 -10.774  -7.690
  174    HA   ILE  22           HA       ILE  22  -2.131 -13.548  -8.764
  175    HB   ILE  22           HB       ILE  22  -3.858 -11.114  -9.364
  176   HG12  ILE  22          HG12      ILE  22  -4.492 -13.498  -7.565
  177   HG13  ILE  22          HG13      ILE  22  -4.128 -11.873  -6.992
  178   HG21  ILE  22          HG21      ILE  22  -3.826 -12.732 -11.218
  179   HG22  ILE  22          HG22      ILE  22  -4.217 -14.052 -10.095
  180   HG23  ILE  22          HG23      ILE  22  -5.386 -12.754 -10.430
  181   HD11  ILE  22          HD11      ILE  22  -6.589 -12.688  -8.551
  182   HD12  ILE  22          HD12      ILE  22  -6.472 -12.112  -6.884
  183   HD13  ILE  22          HD13      ILE  22  -6.122 -10.998  -8.219
  184    H    THR  23           H        THR  23  -0.753 -10.396  -9.309
  185    HA   THR  23           HA       THR  23   0.196 -11.165 -12.056
  186    HB   THR  23           HB       THR  23  -0.158  -8.816 -12.720
  187    HG1  THR  23           HG1      THR  23  -1.506  -8.543 -10.251
  188   HG21  THR  23          HG21      THR  23  -2.573  -8.716 -12.837
  189   HG22  THR  23          HG22      THR  23  -2.037 -10.384 -13.119
  190   HG23  THR  23          HG23      THR  23  -2.745  -9.932 -11.556
  191    H    ASN  24           H        ASN  24   1.160 -10.137  -8.967
  192    HA   ASN  24           HA       ASN  24   2.835  -9.208  -8.024
  193    HB2  ASN  24           HB2      ASN  24   5.058  -9.581  -8.665
  194    HB3  ASN  24           HB3      ASN  24   4.128 -10.996  -9.139
  195   HD21  ASN  24          HD22      ASN  24   5.172  -7.839 -10.551
  196   HD22  ASN  24          HD21      ASN  24   5.698  -8.588 -12.077
  197    H    ALA  25           H        ALA  25   1.074  -7.482  -9.941
  198    HA   ALA  25           HA       ALA  25   2.747  -5.152 -10.356
  199    HB1  ALA  25           HB1      ALA  25  -0.269  -5.369  -9.944
  200    HB2  ALA  25           HB2      ALA  25   0.613  -3.993 -10.640
  201    HB3  ALA  25           HB3      ALA  25   0.571  -5.543 -11.500
  202    H    SER  26           H        SER  26   2.750  -3.153  -9.013
  203    HA   SER  26           HA       SER  26   2.007  -3.510  -6.160
  204    HB2  SER  26           HB2      SER  26   4.282  -2.874  -5.477
  205    HB3  SER  26           HB3      SER  26   4.300  -4.386  -6.393
  206    HG   SER  26           HG       SER  26   4.623  -1.876  -7.653
  207    H    GLN  27           H        GLN  27   1.208  -1.637  -5.259
  208    HA   GLN  27           HA       GLN  27   2.301   0.929  -6.122
  209    HB2  GLN  27           HB2      GLN  27  -0.399   0.021  -6.972
  210    HB3  GLN  27           HB3      GLN  27  -0.443   1.538  -6.096
  211    HG2  GLN  27           HG2      GLN  27   1.263   0.968  -8.548
  212    HG3  GLN  27           HG3      GLN  27  -0.217   1.919  -8.508
  213   HE21  GLN  27          HE22      GLN  27   2.249   3.009  -9.516
  214   HE22  GLN  27          HE21      GLN  27   2.722   4.240  -8.357
  215    H    PHE  28           H        PHE  28   1.549   2.743  -4.819
  216    HA   PHE  28           HA       PHE  28   1.774   1.914  -2.023
  217    HB2  PHE  28           HB2      PHE  28   1.868   4.642  -3.351
  218    HB3  PHE  28           HB3      PHE  28   2.252   4.309  -1.661
  219    HD1  PHE  28           HD2      PHE  28   4.123   2.647  -1.113
  220    HD2  PHE  28           HD1      PHE  28   3.574   4.368  -5.031
  221    HE1  PHE  28           HE2      PHE  28   6.425   2.004  -1.721
  222    HE2  PHE  28           HE1      PHE  28   5.904   3.752  -5.620
  223    HZ   PHE  28           HZ       PHE  28   7.344   2.580  -3.965
  224    H    GLU  29           H        GLU  29  -0.967   2.692  -3.941
  225    HA   GLU  29           HA       GLU  29  -2.536   3.934  -1.843
  226    HB2  GLU  29           HB2      GLU  29  -2.955   3.157  -4.609
  227    HB3  GLU  29           HB3      GLU  29  -4.278   2.537  -3.629
  228    HG2  GLU  29           HG2      GLU  29  -3.327   5.431  -3.453
  229    HG3  GLU  29           HG3      GLU  29  -4.525   4.886  -4.621
  230    H    ARG  30           H        ARG  30  -4.252   3.030  -0.742
  231    HA   ARG  30           HA       ARG  30  -3.844   0.242   0.176
  232    HB2  ARG  30           HB2      ARG  30  -3.368   0.768   2.343
  233    HB3  ARG  30           HB3      ARG  30  -2.474   1.994   1.470
  234    HG2  ARG  30           HG2      ARG  30  -5.073   2.277   3.004
  235    HG3  ARG  30           HG3      ARG  30  -3.485   2.894   3.448
  236    HD2  ARG  30           HD2      ARG  30  -3.584   4.671   1.910
  237    HD3  ARG  30           HD3      ARG  30  -4.712   3.815   0.861
  238    HE   ARG  30           HE       ARG  30  -5.757   4.587   3.484
  239   HH11  ARG  30          HH11      ARG  30  -5.831   5.287  -0.087
  240   HH12  ARG  30          HH12      ARG  30  -7.338   6.213   0.239
  241   HH21  ARG  30          HH21      ARG  30  -7.885   5.408   3.382
  242   HH22  ARG  30          HH22      ARG  30  -8.253   6.367   1.938
  243    HA   PRO  31           HA       PRO  31  -8.253  -0.242   0.646
  244    HB2  PRO  31           HB2      PRO  31  -7.838  -0.823   3.570
  245    HB3  PRO  31           HB3      PRO  31  -8.781  -1.745   2.357
  246    HG2  PRO  31           HG2      PRO  31  -6.351  -2.611   3.141
  247    HG3  PRO  31           HG3      PRO  31  -6.791  -2.659   1.402
  248    HD2  PRO  31           HD2      PRO  31  -5.146  -0.580   2.869
  249    HD3  PRO  31           HD3      PRO  31  -4.797  -1.387   1.314
  250    H    SER  32           H        SER  32 -10.165   0.497   2.032
  251    HA   SER  32           HA       SER  32 -11.486   2.208   2.724
  252    HB2  SER  32           HB2      SER  32 -10.855   3.837   4.323
  253    HB3  SER  32           HB3      SER  32 -10.042   2.328   4.758
  254    HG   SER  32           HG       SER  32  -8.247   3.175   3.461
  255    H    GLY  33           H        GLY  33 -11.283   5.010   2.580
  256    HA2  GLY  33           HA2      GLY  33 -11.779   5.436  -0.145
  257    HA3  GLY  33           HA3      GLY  33 -11.489   6.704   1.053
  258    H1   NAG 101           H1       NAG  34  11.406   1.036  -0.633
  259    H2   NAG 101           H2       NAG  34  12.463   3.439  -2.209
  260    H3   NAG 101           H3       NAG  34   9.876   1.794  -2.190
  261    H4   NAG 101           H4       NAG  34  12.036   2.293  -4.277
  262    H5   NAG 101           H5       NAG  34  11.250  -0.234  -2.783
  263    H61  NAG 101           H61      NAG  34  13.092  -1.364  -3.758
  264    H62  NAG 101           H62      NAG  34  12.283  -0.571  -5.112
  265    H81  NAG 101           H2M      NAG  34  11.004   5.790   1.098
  266    H82  NAG 101           H3M      NAG  34   9.331   5.688   0.503
  267    H83  NAG 101           H1M      NAG  34  10.385   7.016  -0.030
  268    HN2  NAG 101           H2N      NAG  34  10.876   3.456   0.231
  269    HO3  NAG 101           H3O      NAG  34  10.248   4.393  -2.966
  270    HO4  NAG 101           H4O      NAG  34   9.748   2.023  -4.804
  271    HO6  NAG 101           H6O      NAG  34  14.415   0.595  -3.613
  Start of MODEL    7
    1    H1   LYS   1           H1       LYS   1 -12.694   0.008  -1.723
    2    H2   LYS   1           H2       LYS   1 -13.015   1.438  -0.966
    3    H3   LYS   1           H3       LYS   1 -12.027   0.370  -0.259
    4    HA   LYS   1           HA       LYS   1 -11.500   1.833  -2.761
    5    HB2  LYS   1           HB2      LYS   1 -11.256   3.294  -0.876
    6    HB3  LYS   1           HB3      LYS   1 -10.221   2.146  -0.021
    7    HG2  LYS   1           HG2      LYS   1  -8.440   2.403  -1.611
    8    HG3  LYS   1           HG3      LYS   1  -9.472   3.305  -2.733
    9    HD2  LYS   1           HD2      LYS   1  -9.526   5.232  -1.323
   10    HD3  LYS   1           HD3      LYS   1  -8.903   4.340   0.068
   11    HE2  LYS   1           HE2      LYS   1  -7.183   5.828  -0.909
   12    HE3  LYS   1           HE3      LYS   1  -6.716   4.130  -0.917
   13    HZ1  LYS   1           HZ1      LYS   1  -7.275   3.973  -3.232
   14    HZ2  LYS   1           HZ2      LYS   1  -7.658   5.607  -3.309
   15    HZ3  LYS   1           HZ3      LYS   1  -6.128   4.972  -3.003
   16    H    LEU   2           H        LEU   2  -9.965  -0.566  -0.462
   17    HA   LEU   2           HA       LEU   2  -7.737  -1.105  -2.043
   18    HB2  LEU   2           HB2      LEU   2  -8.131  -1.926   0.230
   19    HB3  LEU   2           HB3      LEU   2  -9.396  -2.991  -0.332
   20    HG   LEU   2           HG       LEU   2  -7.857  -4.482  -1.362
   21   HD11  LEU   2          HD11      LEU   2  -5.698  -2.372  -1.051
   22   HD12  LEU   2          HD12      LEU   2  -5.387  -4.091  -1.370
   23   HD13  LEU   2          HD13      LEU   2  -6.297  -3.151  -2.528
   24   HD21  LEU   2          HD21      LEU   2  -8.003  -4.597   1.092
   25   HD22  LEU   2          HD22      LEU   2  -6.435  -5.143   0.480
   26   HD23  LEU   2          HD23      LEU   2  -6.583  -3.535   1.224
   27    HA   PRO   3           HA       PRO   3  -9.809  -2.965  -5.612
   28    HB2  PRO   3           HB2      PRO   3  -7.563  -3.378  -7.215
   29    HB3  PRO   3           HB3      PRO   3  -8.477  -1.852  -7.068
   30    HG2  PRO   3           HG2      PRO   3  -5.943  -2.643  -5.614
   31    HG3  PRO   3           HG3      PRO   3  -6.329  -1.091  -6.415
   32    HD2  PRO   3           HD2      PRO   3  -6.551  -1.413  -3.751
   33    HD3  PRO   3           HD3      PRO   3  -7.749  -0.453  -4.654
   34    HA   PRO   4           HA       PRO   4  -9.614  -7.185  -4.758
   35    HB2  PRO   4           HB2      PRO   4 -10.242  -8.472  -7.115
   36    HB3  PRO   4           HB3      PRO   4 -11.396  -7.488  -6.165
   37    HG2  PRO   4           HG2      PRO   4  -9.751  -6.627  -8.563
   38    HG3  PRO   4           HG3      PRO   4 -11.505  -6.381  -8.277
   39    HD2  PRO   4           HD2      PRO   4  -9.706  -4.428  -7.749
   40    HD3  PRO   4           HD3      PRO   4 -11.094  -4.704  -6.654
   41    H    GLY   5           H        GLY   5  -8.114  -8.684  -4.349
   42    HA2  GLY   5           HA2      GLY   5  -6.390 -10.190  -4.682
   43    HA3  GLY   5           HA3      GLY   5  -6.182  -9.605  -6.333
   44    H    TRP   6           H        TRP   6  -6.081  -6.844  -4.326
   45    HA   TRP   6           HA       TRP   6  -3.142  -6.809  -4.339
   46    HB2  TRP   6           HB2      TRP   6  -5.261  -4.705  -3.879
   47    HB3  TRP   6           HB3      TRP   6  -3.538  -4.429  -3.766
   48    HD1  TRP   6           HD1      TRP   6  -6.190  -5.427  -6.345
   49    HE1  TRP   6           HE1      TRP   6  -5.462  -4.683  -8.690
   50    HE3  TRP   6           HE3      TRP   6  -1.489  -3.770  -5.224
   51    HZ2  TRP   6           HZ2      TRP   6  -3.082  -3.647  -9.941
   52    HZ3  TRP   6           HZ3      TRP   6   0.024  -3.010  -7.025
   53    HH2  TRP   6           HH2      TRP   6  -0.751  -2.958  -9.390
   54    H    GLU   7           H        GLU   7  -1.941  -7.065  -2.591
   55    HA   GLU   7           HA       GLU   7  -3.225  -7.388   0.069
   56    HB2  GLU   7           HB2      GLU   7  -2.444  -9.333  -1.585
   57    HB3  GLU   7           HB3      GLU   7  -0.839  -8.913  -1.022
   58    HG2  GLU   7           HG2      GLU   7  -3.216  -9.821   0.664
   59    HG3  GLU   7           HG3      GLU   7  -1.830 -10.814   0.193
   60    H    LYS   8           H        LYS   8  -1.920  -6.697   1.915
   61    HA   LYS   8           HA       LYS   8  -0.348  -4.341   1.166
   62    HB2  LYS   8           HB2      LYS   8  -0.483  -3.529   3.251
   63    HB3  LYS   8           HB3      LYS   8  -1.988  -4.415   3.138
   64    HG2  LYS   8           HG2      LYS   8   0.502  -5.498   4.549
   65    HG3  LYS   8           HG3      LYS   8  -0.673  -4.473   5.327
   66    HD2  LYS   8           HD2      LYS   8  -2.112  -6.110   5.702
   67    HD3  LYS   8           HD3      LYS   8  -2.067  -6.697   4.053
   68    HE2  LYS   8           HE2      LYS   8   0.106  -7.293   6.117
   69    HE3  LYS   8           HE3      LYS   8  -1.315  -8.323   5.865
   70    HZ1  LYS   8           HZ1      LYS   8  -0.665  -8.605   3.559
   71    HZ2  LYS   8           HZ2      LYS   8   0.642  -7.695   3.710
   72    HZ3  LYS   8           HZ3      LYS   8   0.546  -9.134   4.533
   73    H    ARG   9           H        ARG   9   1.854  -3.863   1.369
   74    HA   ARG   9           HA       ARG   9   3.670  -5.963   2.305
   75    HB2  ARG   9           HB2      ARG   9   2.711  -5.770  -0.242
   76    HB3  ARG   9           HB3      ARG   9   3.858  -4.454  -0.319
   77    HG2  ARG   9           HG2      ARG   9   4.649  -6.559  -1.181
   78    HG3  ARG   9           HG3      ARG   9   5.682  -5.979   0.139
   79    HD2  ARG   9           HD2      ARG   9   5.312  -8.421   0.140
   80    HD3  ARG   9           HD3      ARG   9   4.848  -7.649   1.646
   81    HE   ARG   9           HE       ARG   9   2.526  -8.025   1.185
   82   HH11  ARG   9          HH21      ARG   9   4.449  -9.228  -1.473
   83   HH12  ARG   9          HH22      ARG   9   3.200 -10.290  -2.052
   84   HH21  ARG   9          HH11      ARG   9   1.004  -9.595   0.578
   85   HH22  ARG   9          HH12      ARG   9   1.298 -10.493  -0.884
   86    H    MET  10           H        MET  10   6.030  -5.056   2.049
   87    HA   MET  10           HA       MET  10   6.303  -2.164   2.268
   88    HB2  MET  10           HB2      MET  10   5.651  -2.970   4.593
   89    HB3  MET  10           HB3      MET  10   7.099  -3.981   4.583
   90    HG2  MET  10           HG2      MET  10   8.436  -1.825   4.199
   91    HG3  MET  10           HG3      MET  10   6.928  -0.950   4.454
   92    HE1  MET  10           HE1      MET  10   8.727  -4.064   6.250
   93    HE2  MET  10           HE2      MET  10   9.931  -2.793   5.939
   94    HE3  MET  10           HE3      MET  10   9.451  -3.175   7.608
   95    H    PHE  11           H        PHE  11   8.249  -1.566   1.417
   96    HA   PHE  11           HA       PHE  11  10.110  -3.554   0.432
   97    HB2  PHE  11           HB2      PHE  11  10.133  -0.549   0.550
   98    HB3  PHE  11           HB3      PHE  11  11.470  -1.474  -0.107
   99    HD1  PHE  11           HD1      PHE  11  10.889  -3.303  -1.910
  100    HD2  PHE  11           HD2      PHE  11   8.380   0.093  -0.982
  101    HE1  PHE  11           HE1      PHE  11   9.813  -3.488  -4.131
  102    HE2  PHE  11           HE2      PHE  11   7.327  -0.111  -3.227
  103    HZ   PHE  11           HZ       PHE  11   8.033  -1.874  -4.790
  104    H    ALA  12           H        ALA  12  12.430  -3.681   0.980
  105    HA   ALA  12           HA       ALA  12  12.928  -4.047   3.717
  106    HB1  ALA  12           HB1      ALA  12  14.081  -5.225   1.885
  107    HB2  ALA  12           HB2      ALA  12  14.887  -3.712   1.404
  108    HB3  ALA  12           HB3      ALA  12  15.242  -4.453   2.978
  109    H    ASN  13           H        ASN  13  13.094  -1.069   1.962
  110    HA   ASN  13           HA       ASN  13  14.762   0.302   3.974
  111    HB2  ASN  13           HB2      ASN  13  14.392   2.275   2.511
  112    HB3  ASN  13           HB3      ASN  13  15.069   0.900   1.645
  113   HD21  ASN  13          HD21      ASN  13  14.311   1.760  -0.412
  114    H    GLY  14           H        GLY  14  11.602  -0.793   4.036
  115    HA2  GLY  14           HA2      GLY  14  10.136  -0.345   5.793
  116    HA3  GLY  14           HA3      GLY  14  10.781   1.283   5.977
  117    H    THR  15           H        THR  15   9.995   0.434   2.616
  118    HA   THR  15           HA       THR  15   7.924   2.558   2.824
  119    HB   THR  15           HB       THR  15   9.236   1.377   0.385
  120    HG1  THR  15           HG1      THR  15  10.755   2.338   1.496
  121   HG21  THR  15          HG21      THR  15   8.469   3.351  -0.776
  122   HG22  THR  15          HG22      THR  15   7.053   2.549  -0.073
  123   HG23  THR  15          HG23      THR  15   7.725   3.995   0.709
  124    H    VAL  16           H        VAL  16   6.068   1.630   3.528
  125    HA   VAL  16           HA       VAL  16   4.788  -0.703   2.741
  126    HB   VAL  16           HB       VAL  16   3.735   1.955   3.667
  127   HG11  VAL  16          HG11      VAL  16   2.058  -0.529   3.061
  128   HG12  VAL  16          HG12      VAL  16   1.521   0.864   4.022
  129   HG13  VAL  16          HG13      VAL  16   1.882   1.077   2.310
  130   HG21  VAL  16          HG21      VAL  16   3.794  -0.866   4.849
  131   HG22  VAL  16          HG22      VAL  16   4.940   0.436   5.255
  132   HG23  VAL  16          HG23      VAL  16   3.229   0.600   5.679
  133    H    TYR  17           H        TYR  17   3.592  -1.486   1.090
  134    HA   TYR  17           HA       TYR  17   2.365   0.329  -0.844
  135    HB2  TYR  17           HB2      TYR  17   3.315  -0.744  -2.828
  136    HB3  TYR  17           HB3      TYR  17   4.556   0.010  -1.880
  137    HD1  TYR  17           HD1      TYR  17   6.049  -1.328  -0.473
  138    HD2  TYR  17           HD2      TYR  17   3.413  -3.208  -3.285
  139    HE1  TYR  17           HE1      TYR  17   7.567  -3.283  -0.564
  140    HE2  TYR  17           HE2      TYR  17   4.920  -5.203  -3.353
  141    HH   TYR  17           HH       TYR  17   7.067  -5.952  -2.859
  142    H    TYR  18           H        TYR  18   0.986  -1.060  -2.420
  143    HA   TYR  18           HA       TYR  18   0.166  -3.656  -1.224
  144    HB2  TYR  18           HB2      TYR  18  -1.362  -1.592  -2.827
  145    HB3  TYR  18           HB3      TYR  18  -1.926  -3.254  -2.620
  146    HD1  TYR  18           HD2      TYR  18  -0.667  -0.343  -0.619
  147    HD2  TYR  18           HD1      TYR  18  -3.188  -3.847  -0.675
  148    HE1  TYR  18           HE2      TYR  18  -1.054  -0.064   1.718
  149    HE2  TYR  18           HE1      TYR  18  -3.884  -3.394   1.623
  150    HH   TYR  18           HH       TYR  18  -3.422  -2.147   3.539
  151    H    PHE  19           H        PHE  19   0.097  -5.445  -2.311
  152    HA   PHE  19           HA       PHE  19   1.475  -5.589  -4.944
  153    HB2  PHE  19           HB2      PHE  19   2.828  -6.207  -2.996
  154    HB3  PHE  19           HB3      PHE  19   1.594  -7.313  -2.438
  155    HD1  PHE  19           HD1      PHE  19   4.249  -6.737  -4.930
  156    HD2  PHE  19           HD2      PHE  19   1.207  -9.502  -3.599
  157    HE1  PHE  19           HE1      PHE  19   5.383  -8.550  -6.132
  158    HE2  PHE  19           HE2      PHE  19   2.367 -11.340  -4.809
  159    HZ   PHE  19           HZ       PHE  19   4.460 -10.880  -6.053
  160    H    ASN  20           H        ASN  20   0.130  -6.286  -6.492
  161    HA   ASN  20           HA       ASN  20  -2.309  -7.733  -5.993
  162    HB2  ASN  20           HB2      ASN  20  -1.913  -6.162  -7.910
  163    HB3  ASN  20           HB3      ASN  20  -0.773  -7.311  -8.568
  164   HD21  ASN  20          HD22      ASN  20  -4.241  -6.799  -7.743
  165   HD22  ASN  20          HD21      ASN  20  -4.785  -8.168  -8.687
  166    H    HIS  21           H        HIS  21  -2.097  -9.768  -5.070
  167    HA   HIS  21           HA       HIS  21   0.181 -11.448  -5.715
  168    HB2  HIS  21           HB2      HIS  21  -0.736 -13.003  -4.162
  169    HB3  HIS  21           HB3      HIS  21  -0.883 -11.388  -3.501
  170    HD2  HIS  21           HD2      HIS  21  -3.221 -13.886  -5.431
  171    HE1  HIS  21           HE1      HIS  21  -5.550 -11.800  -2.530
  172    HE2  HIS  21           HE2      HIS  21  -5.600 -13.610  -4.339
  173    H    ILE  22           H        ILE  22  -2.365 -10.801  -7.735
  174    HA   ILE  22           HA       ILE  22  -2.557 -13.560  -8.814
  175    HB   ILE  22           HB       ILE  22  -4.032 -11.035  -9.662
  176   HG12  ILE  22          HG12      ILE  22  -4.964 -13.257  -7.786
  177   HG13  ILE  22          HG13      ILE  22  -4.576 -11.608  -7.300
  178   HG21  ILE  22          HG21      ILE  22  -4.575 -13.975 -10.266
  179   HG22  ILE  22          HG22      ILE  22  -5.584 -12.606 -10.785
  180   HG23  ILE  22          HG23      ILE  22  -3.966 -12.769 -11.419
  181   HD11  ILE  22          HD11      ILE  22  -6.421 -10.755  -8.758
  182   HD12  ILE  22          HD12      ILE  22  -6.927 -12.447  -9.012
  183   HD13  ILE  22          HD13      ILE  22  -6.933 -11.759  -7.386
  184    H    THR  23           H        THR  23  -0.884 -10.561  -9.291
  185    HA   THR  23           HA       THR  23   0.193 -11.476 -11.948
  186    HB   THR  23           HB       THR  23   0.201  -9.101 -12.629
  187    HG1  THR  23           HG1      THR  23  -1.411  -8.681 -10.344
  188   HG21  THR  23          HG21      THR  23  -1.756 -10.489 -13.259
  189   HG22  THR  23          HG22      THR  23  -2.593  -9.983 -11.777
  190   HG23  THR  23          HG23      THR  23  -2.177  -8.782 -13.018
  191    H    ASN  24           H        ASN  24   0.978 -10.110  -8.827
  192    HA   ASN  24           HA       ASN  24   2.838  -9.662  -7.784
  193    HB2  ASN  24           HB2      ASN  24   4.531  -9.895 -10.292
  194    HB3  ASN  24           HB3      ASN  24   5.074  -9.855  -8.628
  195   HD21  ASN  24          HD22      ASN  24   3.530 -11.822 -11.081
  196   HD22  ASN  24          HD21      ASN  24   3.821 -13.364 -10.243
  197    H    ALA  25           H        ALA  25   1.223  -7.737  -9.902
  198    HA   ALA  25           HA       ALA  25   3.022  -5.544 -10.251
  199    HB1  ALA  25           HB1      ALA  25   0.971  -4.281 -10.742
  200    HB2  ALA  25           HB2      ALA  25   0.926  -5.869 -11.530
  201    HB3  ALA  25           HB3      ALA  25  -0.022  -5.582 -10.055
  202    H    SER  26           H        SER  26   3.590  -3.812  -8.909
  203    HA   SER  26           HA       SER  26   2.481  -3.799  -6.139
  204    HB2  SER  26           HB2      SER  26   4.729  -3.219  -5.401
  205    HB3  SER  26           HB3      SER  26   4.744  -4.752  -6.266
  206    HG   SER  26           HG       SER  26   5.183  -2.281  -7.584
  207    H    GLN  27           H        GLN  27   1.551  -1.903  -5.504
  208    HA   GLN  27           HA       GLN  27   2.467   0.647  -6.758
  209    HB2  GLN  27           HB2      GLN  27  -0.414  -0.304  -6.451
  210    HB3  GLN  27           HB3      GLN  27   0.061   1.361  -6.800
  211    HG2  GLN  27           HG2      GLN  27   1.213   0.566  -8.884
  212    HG3  GLN  27           HG3      GLN  27   0.541  -1.044  -8.596
  213   HE21  GLN  27          HE22      GLN  27  -2.037  -1.091  -8.342
  214   HE22  GLN  27          HE21      GLN  27  -2.829   0.119  -9.351
  215    H    PHE  28           H        PHE  28   2.336   2.457  -5.486
  216    HA   PHE  28           HA       PHE  28   2.123   2.140  -2.623
  217    HB2  PHE  28           HB2      PHE  28   2.469   4.632  -4.329
  218    HB3  PHE  28           HB3      PHE  28   2.756   4.499  -2.590
  219    HD1  PHE  28           HD2      PHE  28   4.391   2.557  -1.835
  220    HD2  PHE  28           HD1      PHE  28   4.348   4.337  -5.766
  221    HE1  PHE  28           HE2      PHE  28   6.692   1.773  -2.213
  222    HE2  PHE  28           HE1      PHE  28   6.660   3.518  -6.153
  223    HZ   PHE  28           HZ       PHE  28   7.835   2.222  -4.383
  224    H    GLU  29           H        GLU  29  -0.348   2.118  -4.687
  225    HA   GLU  29           HA       GLU  29  -2.298   3.945  -3.670
  226    HB2  GLU  29           HB2      GLU  29  -2.865   2.881  -5.664
  227    HB3  GLU  29           HB3      GLU  29  -2.313   1.306  -5.118
  228    HG2  GLU  29           HG2      GLU  29  -4.730   1.383  -5.413
  229    HG3  GLU  29           HG3      GLU  29  -4.274   0.944  -3.782
  230    H    ARG  30           H        ARG  30  -2.751   4.154  -1.589
  231    HA   ARG  30           HA       ARG  30  -2.614   1.783   0.186
  232    HB2  ARG  30           HB2      ARG  30  -0.983   3.548   0.646
  233    HB3  ARG  30           HB3      ARG  30  -2.294   4.694   0.934
  234    HG2  ARG  30           HG2      ARG  30  -2.837   2.340   2.544
  235    HG3  ARG  30           HG3      ARG  30  -1.126   2.688   2.703
  236    HD2  ARG  30           HD2      ARG  30  -2.332   3.781   4.469
  237    HD3  ARG  30           HD3      ARG  30  -1.650   5.003   3.407
  238    HE   ARG  30           HE       ARG  30  -4.538   4.112   3.420
  239   HH11  ARG  30          HH11      ARG  30  -2.271   6.614   2.538
  240   HH12  ARG  30          HH12      ARG  30  -3.488   7.856   2.431
  241   HH21  ARG  30          HH21      ARG  30  -6.068   5.819   3.518
  242   HH22  ARG  30          HH22      ARG  30  -5.600   7.373   2.889
  243    HA   PRO  31           HA       PRO  31  -7.094   2.519   0.283
  244    HB2  PRO  31           HB2      PRO  31  -7.869   0.200   1.455
  245    HB3  PRO  31           HB3      PRO  31  -7.215   0.266  -0.209
  246    HG2  PRO  31           HG2      PRO  31  -5.672  -0.385   2.337
  247    HG3  PRO  31           HG3      PRO  31  -5.761  -1.343   0.842
  248    HD2  PRO  31           HD2      PRO  31  -3.781   0.451   1.347
  249    HD3  PRO  31           HD3      PRO  31  -4.384   0.183  -0.322
  250    H    SER  32           H        SER  32  -8.785   2.248   2.057
  251    HA   SER  32           HA       SER  32  -7.993   2.267   4.834
  252    HB2  SER  32           HB2      SER  32  -9.188   4.823   3.666
  253    HB3  SER  32           HB3      SER  32  -8.957   4.480   5.399
  254    HG   SER  32           HG       SER  32  -6.726   3.923   3.994
  255    H    GLY  33           H        GLY  33  -9.495   0.632   3.029
  256    HA2  GLY  33           HA2      GLY  33 -11.546  -0.583   3.805
  257    HA3  GLY  33           HA3      GLY  33 -12.358   0.992   3.680
  258    H1   NAG 101           H1       NAG  34  11.478   0.986  -0.788
  259    H2   NAG 101           H2       NAG  34  12.839   3.177  -2.424
  260    H3   NAG 101           H3       NAG  34  10.060   1.939  -2.209
  261    H4   NAG 101           H4       NAG  34  12.123   2.092  -4.462
  262    H5   NAG 101           H5       NAG  34  11.142  -0.297  -2.857
  263    H61  NAG 101           H61      NAG  34  12.978  -1.573  -3.828
  264    H62  NAG 101           H62      NAG  34  11.951  -0.930  -5.115
  265    H81  NAG 101           H2M      NAG  34  10.831   5.958   0.349
  266    H82  NAG 101           H3M      NAG  34  12.452   6.634   0.616
  267    H83  NAG 101           H1M      NAG  34  11.894   5.260   1.595
  268    HN2  NAG 101           H2N      NAG  34  10.726   3.676  -0.365
  269    HO3  NAG 101           H3O      NAG  34   9.785   3.342  -4.161
  270    HO4  NAG 101           H4O      NAG  34  10.573   0.806  -5.550
  271    HO6  NAG 101           H6O      NAG  34  14.362   0.261  -4.135
  Start of MODEL    8
    1    H1   LYS   1           H1       LYS   1  -7.399   3.236  -3.145
    2    H2   LYS   1           H2       LYS   1  -7.290   2.468  -1.698
    3    H3   LYS   1           H3       LYS   1  -8.578   3.419  -2.007
    4    HA   LYS   1           HA       LYS   1  -9.207   1.159  -2.116
    5    HB2  LYS   1           HB2      LYS   1 -10.316   1.110  -4.266
    6    HB3  LYS   1           HB3      LYS   1 -10.546   2.617  -3.446
    7    HG2  LYS   1           HG2      LYS   1  -8.691   2.118  -5.823
    8    HG3  LYS   1           HG3      LYS   1 -10.290   2.834  -5.890
    9    HD2  LYS   1           HD2      LYS   1  -7.783   4.070  -4.739
   10    HD3  LYS   1           HD3      LYS   1  -8.668   4.580  -6.156
   11    HE2  LYS   1           HE2      LYS   1 -10.429   5.552  -4.933
   12    HE3  LYS   1           HE3      LYS   1 -10.137   4.538  -3.530
   13    HZ1  LYS   1           HZ1      LYS   1  -8.723   6.985  -4.234
   14    HZ2  LYS   1           HZ2      LYS   1  -9.283   6.422  -2.758
   15    HZ3  LYS   1           HZ3      LYS   1  -7.916   5.810  -3.392
   16    H    LEU   2           H        LEU   2  -9.024  -0.942  -2.809
   17    HA   LEU   2           HA       LEU   2  -7.458  -1.655  -5.040
   18    HB2  LEU   2           HB2      LEU   2  -5.955  -3.251  -3.824
   19    HB3  LEU   2           HB3      LEU   2  -5.559  -1.562  -3.805
   20    HG   LEU   2           HG       LEU   2  -6.462  -1.450  -1.373
   21   HD11  LEU   2          HD11      LEU   2  -7.695  -3.501  -1.068
   22   HD12  LEU   2          HD12      LEU   2  -6.399  -4.473  -1.793
   23   HD13  LEU   2          HD13      LEU   2  -6.156  -3.726  -0.214
   24   HD21  LEU   2          HD21      LEU   2  -4.435  -2.240  -0.522
   25   HD22  LEU   2          HD22      LEU   2  -4.102  -3.216  -1.976
   26   HD23  LEU   2          HD23      LEU   2  -4.107  -1.434  -2.051
   27    HA   PRO   3           HA       PRO   3 -10.594  -4.861  -4.536
   28    HB2  PRO   3           HB2      PRO   3 -10.127  -6.335  -6.800
   29    HB3  PRO   3           HB3      PRO   3 -10.782  -4.672  -6.853
   30    HG2  PRO   3           HG2      PRO   3  -7.920  -5.582  -7.225
   31    HG3  PRO   3           HG3      PRO   3  -8.869  -4.470  -8.258
   32    HD2  PRO   3           HD2      PRO   3  -7.152  -3.552  -6.317
   33    HD3  PRO   3           HD3      PRO   3  -8.663  -2.704  -6.741
   34    HA   PRO   4           HA       PRO   4  -8.658  -8.595  -2.867
   35    HB2  PRO   4           HB2      PRO   4 -10.089 -10.690  -3.988
   36    HB3  PRO   4           HB3      PRO   4 -10.651  -9.679  -2.621
   37    HG2  PRO   4           HG2      PRO   4 -11.299  -9.363  -5.565
   38    HG3  PRO   4           HG3      PRO   4 -12.428  -9.333  -4.171
   39    HD2  PRO   4           HD2      PRO   4 -11.551  -7.044  -5.273
   40    HD3  PRO   4           HD3      PRO   4 -11.674  -7.181  -3.500
   41    H    GLY   5           H        GLY   5  -6.955  -9.911  -3.367
   42    HA2  GLY   5           HA2      GLY   5  -5.577 -11.177  -4.956
   43    HA3  GLY   5           HA3      GLY   5  -6.025 -10.012  -6.210
   44    H    TRP   6           H        TRP   6  -5.800  -7.791  -4.040
   45    HA   TRP   6           HA       TRP   6  -2.885  -7.381  -4.072
   46    HB2  TRP   6           HB2      TRP   6  -5.257  -5.648  -3.343
   47    HB3  TRP   6           HB3      TRP   6  -3.577  -5.154  -3.228
   48    HD1  TRP   6           HD1      TRP   6  -6.206  -6.075  -5.856
   49    HE1  TRP   6           HE1      TRP   6  -5.635  -4.891  -8.083
   50    HE3  TRP   6           HE3      TRP   6  -1.627  -4.206  -4.617
   51    HZ2  TRP   6           HZ2      TRP   6  -3.450  -3.386  -9.182
   52    HZ3  TRP   6           HZ3      TRP   6  -0.294  -2.983  -6.289
   53    HH2  TRP   6           HH2      TRP   6  -1.187  -2.531  -8.561
   54    H    GLU   7           H        GLU   7  -1.667  -7.173  -2.173
   55    HA   GLU   7           HA       GLU   7  -3.086  -7.218   0.422
   56    HB2  GLU   7           HB2      GLU   7  -2.574  -9.541  -0.053
   57    HB3  GLU   7           HB3      GLU   7  -0.910  -9.149  -0.452
   58    HG2  GLU   7           HG2      GLU   7  -1.076 -10.266   1.695
   59    HG3  GLU   7           HG3      GLU   7  -0.384  -8.667   1.856
   60    H    LYS   8           H        LYS   8  -1.851  -6.419   2.151
   61    HA   LYS   8           HA       LYS   8  -0.159  -4.131   1.604
   62    HB2  LYS   8           HB2      LYS   8  -0.098  -3.878   4.012
   63    HB3  LYS   8           HB3      LYS   8  -1.727  -4.337   3.514
   64    HG2  LYS   8           HG2      LYS   8  -0.883  -6.794   4.037
   65    HG3  LYS   8           HG3      LYS   8   0.359  -5.986   4.965
   66    HD2  LYS   8           HD2      LYS   8  -1.147  -5.188   6.559
   67    HD3  LYS   8           HD3      LYS   8  -2.537  -5.221   5.464
   68    HE2  LYS   8           HE2      LYS   8  -1.120  -7.771   6.288
   69    HE3  LYS   8           HE3      LYS   8  -2.382  -7.065   7.310
   70    HZ1  LYS   8           HZ1      LYS   8  -3.014  -7.436   4.462
   71    HZ2  LYS   8           HZ2      LYS   8  -2.866  -8.762   5.225
   72    HZ3  LYS   8           HZ3      LYS   8  -3.998  -7.654   5.780
   73    H    ARG   9           H        ARG   9   2.039  -3.879   1.565
   74    HA   ARG   9           HA       ARG   9   3.804  -6.171   2.190
   75    HB2  ARG   9           HB2      ARG   9   2.852  -6.155  -0.134
   76    HB3  ARG   9           HB3      ARG   9   3.455  -4.522  -0.361
   77    HG2  ARG   9           HG2      ARG   9   4.739  -6.107  -1.502
   78    HG3  ARG   9           HG3      ARG   9   5.761  -5.342  -0.298
   79    HD2  ARG   9           HD2      ARG   9   5.926  -7.252   1.034
   80    HD3  ARG   9           HD3      ARG   9   4.497  -8.000   0.300
   81    HE   ARG   9           HE       ARG   9   5.738  -8.766  -1.462
   82   HH11  ARG   9          HH12      ARG   9   8.031  -6.571   0.297
   83   HH12  ARG   9          HH11      ARG   9   9.319  -7.197  -0.653
   84   HH21  ARG   9          HH21      ARG   9   7.507  -9.359  -2.594
   85   HH22  ARG   9          HH22      ARG   9   9.063  -8.694  -2.212
   86    H    MET  10           H        MET  10   6.139  -5.404   1.785
   87    HA   MET  10           HA       MET  10   6.712  -2.603   2.343
   88    HB2  MET  10           HB2      MET  10   6.210  -3.668   4.565
   89    HB3  MET  10           HB3      MET  10   7.491  -4.846   4.254
   90    HG2  MET  10           HG2      MET  10   9.118  -2.939   4.093
   91    HG3  MET  10           HG3      MET  10   7.824  -1.829   4.545
   92    HE1  MET  10           HE1      MET  10   7.221  -2.628   8.292
   93    HE2  MET  10           HE2      MET  10   7.104  -1.384   7.032
   94    HE3  MET  10           HE3      MET  10   6.235  -2.930   6.844
   95    H    PHE  11           H        PHE  11   8.695  -2.061   1.606
   96    HA   PHE  11           HA       PHE  11  10.281  -3.925  -0.006
   97    HB2  PHE  11           HB2      PHE  11  10.378  -0.971   0.591
   98    HB3  PHE  11           HB3      PHE  11  11.629  -1.772  -0.339
   99    HD1  PHE  11           HD1      PHE  11  10.828  -3.265  -2.372
  100    HD2  PHE  11           HD2      PHE  11   8.533  -0.029  -0.645
  101    HE1  PHE  11           HE1      PHE  11   9.629  -2.954  -4.516
  102    HE2  PHE  11           HE2      PHE  11   7.377   0.278  -2.809
  103    HZ   PHE  11           HZ       PHE  11   7.925  -1.154  -4.739
  104    H    ALA  12           H        ALA  12  12.671  -4.075   0.245
  105    HA   ALA  12           HA       ALA  12  13.508  -4.832   2.822
  106    HB1  ALA  12           HB1      ALA  12  14.379  -5.736   0.696
  107    HB2  ALA  12           HB2      ALA  12  15.142  -4.167   0.334
  108    HB3  ALA  12           HB3      ALA  12  15.690  -5.129   1.723
  109    H    ASN  13           H        ASN  13  13.207  -1.632   1.764
  110    HA   ASN  13           HA       ASN  13  15.258  -0.595   3.652
  111    HB2  ASN  13           HB2      ASN  13  14.868   1.562   2.507
  112    HB3  ASN  13           HB3      ASN  13  15.376   0.300   1.387
  113   HD21  ASN  13          HD21      ASN  13  14.447   1.692  -0.341
  114    H    GLY  14           H        GLY  14  12.092  -1.638   3.864
  115    HA2  GLY  14           HA2      GLY  14  10.746  -1.369   5.741
  116    HA3  GLY  14           HA3      GLY  14  11.505   0.172   6.125
  117    H    THR  15           H        THR  15  10.445  -0.112   2.768
  118    HA   THR  15           HA       THR  15   8.529   2.073   3.359
  119    HB   THR  15           HB       THR  15   9.640   1.058   0.733
  120    HG1  THR  15           HG1      THR  15  11.239   1.821   1.844
  121   HG21  THR  15          HG21      THR  15   8.921   3.122  -0.257
  122   HG22  THR  15          HG22      THR  15   7.501   2.371   0.479
  123   HG23  THR  15          HG23      THR  15   8.304   3.726   1.303
  124    H    VAL  16           H        VAL  16   6.349   1.754   3.374
  125    HA   VAL  16           HA       VAL  16   5.374  -0.945   2.741
  126    HB   VAL  16           HB       VAL  16   4.344   1.369   4.388
  127   HG11  VAL  16          HG11      VAL  16   2.754  -1.144   3.696
  128   HG12  VAL  16          HG12      VAL  16   2.359   0.002   4.992
  129   HG13  VAL  16          HG13      VAL  16   2.299   0.534   3.314
  130   HG21  VAL  16          HG21      VAL  16   4.430  -0.335   6.166
  131   HG22  VAL  16          HG22      VAL  16   4.875  -1.577   4.974
  132   HG23  VAL  16          HG23      VAL  16   5.996  -0.239   5.343
  133    H    TYR  17           H        TYR  17   3.811  -1.478   1.377
  134    HA   TYR  17           HA       TYR  17   2.355   0.448  -0.261
  135    HB2  TYR  17           HB2      TYR  17   3.284  -0.281  -2.374
  136    HB3  TYR  17           HB3      TYR  17   4.572   0.308  -1.363
  137    HD1  TYR  17           HD1      TYR  17   6.040  -1.313  -0.136
  138    HD2  TYR  17           HD2      TYR  17   3.401  -2.536  -3.294
  139    HE1  TYR  17           HE1      TYR  17   7.566  -3.200  -0.680
  140    HE2  TYR  17           HE2      TYR  17   4.892  -4.438  -3.827
  141    HH   TYR  17           HH       TYR  17   7.029  -5.278  -3.525
  142    H    TYR  18           H        TYR  18   1.236  -1.087  -2.109
  143    HA   TYR  18           HA       TYR  18   0.405  -3.655  -0.854
  144    HB2  TYR  18           HB2      TYR  18  -1.264  -1.706  -2.477
  145    HB3  TYR  18           HB3      TYR  18  -1.782  -3.300  -1.910
  146    HD1  TYR  18           HD1      TYR  18  -0.580   0.050  -0.786
  147    HD2  TYR  18           HD2      TYR  18  -2.611  -3.589   0.337
  148    HE1  TYR  18           HE1      TYR  18  -0.871   0.936   1.463
  149    HE2  TYR  18           HE2      TYR  18  -3.107  -2.628   2.535
  150    HH   TYR  18           HH       TYR  18  -2.595  -0.905   4.039
  151    H    PHE  19           H        PHE  19   0.349  -5.427  -2.078
  152    HA   PHE  19           HA       PHE  19   1.531  -5.253  -4.814
  153    HB2  PHE  19           HB2      PHE  19   3.139  -5.808  -3.083
  154    HB3  PHE  19           HB3      PHE  19   2.114  -7.076  -2.451
  155    HD1  PHE  19           HD1      PHE  19   4.117  -6.009  -5.402
  156    HD2  PHE  19           HD2      PHE  19   2.138  -9.313  -3.441
  157    HE1  PHE  19           HE1      PHE  19   5.331  -7.578  -6.839
  158    HE2  PHE  19           HE2      PHE  19   3.364 -10.898  -4.900
  159    HZ   PHE  19           HZ       PHE  19   4.982 -10.052  -6.583
  160    H    ASN  20           H        ASN  20   0.443  -6.282  -6.352
  161    HA   ASN  20           HA       ASN  20  -1.882  -7.943  -5.691
  162    HB2  ASN  20           HB2      ASN  20  -1.920  -6.200  -7.499
  163    HB3  ASN  20           HB3      ASN  20  -0.751  -7.171  -8.381
  164   HD21  ASN  20          HD22      ASN  20  -4.142  -6.926  -7.367
  165   HD22  ASN  20          HD21      ASN  20  -4.636  -8.359  -8.262
  166    H    HIS  21           H        HIS  21  -1.169  -9.851  -4.812
  167    HA   HIS  21           HA       HIS  21   1.111 -11.273  -5.914
  168    HB2  HIS  21           HB2      HIS  21   0.521 -12.950  -4.197
  169    HB3  HIS  21           HB3      HIS  21   0.681 -11.327  -3.564
  170    HD2  HIS  21           HD2      HIS  21  -2.117 -13.880  -4.411
  171    HE1  HIS  21           HE1      HIS  21  -3.744 -10.950  -1.760
  172    HE2  HIS  21           HE2      HIS  21  -4.208 -13.162  -2.966
  173    H    ILE  22           H        ILE  22  -1.768 -10.871  -7.431
  174    HA   ILE  22           HA       ILE  22  -1.827 -13.625  -8.556
  175    HB   ILE  22           HB       ILE  22  -3.624 -11.285  -9.262
  176   HG12  ILE  22          HG12      ILE  22  -3.963 -11.581  -6.891
  177   HG13  ILE  22          HG13      ILE  22  -5.355 -12.139  -7.788
  178   HG21  ILE  22          HG21      ILE  22  -3.707 -13.036 -10.907
  179   HG22  ILE  22          HG22      ILE  22  -3.899 -14.284  -9.662
  180   HG23  ILE  22          HG23      ILE  22  -5.193 -13.103  -9.964
  181   HD11  ILE  22          HD11      ILE  22  -4.821 -13.606  -5.882
  182   HD12  ILE  22          HD12      ILE  22  -4.706 -14.490  -7.414
  183   HD13  ILE  22          HD13      ILE  22  -3.228 -13.963  -6.575
  184    H    THR  23           H        THR  23  -0.601 -10.408  -9.171
  185    HA   THR  23           HA       THR  23   0.133 -11.150 -11.991
  186    HB   THR  23           HB       THR  23  -0.343  -8.816 -12.628
  187    HG1  THR  23           HG1      THR  23  -1.524  -8.611 -10.070
  188   HG21  THR  23          HG21      THR  23  -2.165 -10.471 -12.906
  189   HG22  THR  23          HG22      THR  23  -2.785 -10.059 -11.296
  190   HG23  THR  23          HG23      THR  23  -2.763  -8.833 -12.578
  191    H    ASN  24           H        ASN  24   1.332  -9.889  -9.003
  192    HA   ASN  24           HA       ASN  24   3.254  -9.059  -8.341
  193    HB2  ASN  24           HB2      ASN  24   4.195 -10.628 -10.206
  194    HB3  ASN  24           HB3      ASN  24   4.493  -9.141 -11.098
  195   HD21  ASN  24          HD22      ASN  24   5.664  -7.404  -9.538
  196   HD22  ASN  24          HD21      ASN  24   7.124  -8.125  -8.818
  197    H    ALA  25           H        ALA  25   0.993  -7.389  -9.981
  198    HA   ALA  25           HA       ALA  25   2.398  -4.903 -10.445
  199    HB1  ALA  25           HB1      ALA  25   0.173  -3.914 -10.468
  200    HB2  ALA  25           HB2      ALA  25   0.151  -5.440 -11.370
  201    HB3  ALA  25           HB3      ALA  25  -0.530  -5.365  -9.731
  202    H    SER  26           H        SER  26   2.277  -2.923  -9.071
  203    HA   SER  26           HA       SER  26   1.853  -3.362  -6.177
  204    HB2  SER  26           HB2      SER  26   4.061  -2.439  -5.644
  205    HB3  SER  26           HB3      SER  26   4.194  -3.954  -6.522
  206    HG   SER  26           HG       SER  26   4.173  -1.467  -7.880
  207    H    GLN  27           H        GLN  27   1.088  -1.552  -5.131
  208    HA   GLN  27           HA       GLN  27   1.376   1.115  -6.402
  209    HB2  GLN  27           HB2      GLN  27  -0.938   1.648  -6.100
  210    HB3  GLN  27           HB3      GLN  27  -0.857   0.162  -7.045
  211    HG2  GLN  27           HG2      GLN  27  -1.405  -1.155  -4.979
  212    HG3  GLN  27           HG3      GLN  27  -1.443   0.334  -4.053
  213   HE21  GLN  27          HE22      GLN  27  -3.524   0.556  -3.415
  214   HE22  GLN  27          HE21      GLN  27  -4.908   0.535  -4.524
  215    H    PHE  28           H        PHE  28   1.494   2.862  -4.860
  216    HA   PHE  28           HA       PHE  28   1.863   2.074  -2.050
  217    HB2  PHE  28           HB2      PHE  28   2.020   4.756  -3.466
  218    HB3  PHE  28           HB3      PHE  28   2.334   4.503  -1.751
  219    HD1  PHE  28           HD2      PHE  28   4.088   2.649  -1.123
  220    HD2  PHE  28           HD1      PHE  28   3.897   4.629  -4.952
  221    HE1  PHE  28           HE2      PHE  28   6.430   2.025  -1.557
  222    HE2  PHE  28           HE1      PHE  28   6.267   4.032  -5.366
  223    HZ   PHE  28           HZ       PHE  28   7.551   2.744  -3.671
  224    H    GLU  29           H        GLU  29  -0.848   2.998  -3.961
  225    HA   GLU  29           HA       GLU  29  -2.367   4.377  -1.968
  226    HB2  GLU  29           HB2      GLU  29  -2.945   4.709  -4.227
  227    HB3  GLU  29           HB3      GLU  29  -2.986   2.989  -4.575
  228    HG2  GLU  29           HG2      GLU  29  -5.215   3.857  -4.610
  229    HG3  GLU  29           HG3      GLU  29  -5.060   2.733  -3.274
  230    H    ARG  30           H        ARG  30  -3.951   3.724  -0.677
  231    HA   ARG  30           HA       ARG  30  -3.783   0.945   0.363
  232    HB2  ARG  30           HB2      ARG  30  -4.183   2.104   2.650
  233    HB3  ARG  30           HB3      ARG  30  -2.613   2.138   1.900
  234    HG2  ARG  30           HG2      ARG  30  -2.924   4.192   2.890
  235    HG3  ARG  30           HG3      ARG  30  -2.926   4.456   1.165
  236    HD2  ARG  30           HD2      ARG  30  -5.491   4.159   2.794
  237    HD3  ARG  30           HD3      ARG  30  -4.628   5.694   2.727
  238    HE   ARG  30           HE       ARG  30  -4.977   5.226   0.044
  239   HH11  ARG  30          HH11      ARG  30  -7.415   4.645   2.402
  240   HH12  ARG  30          HH12      ARG  30  -8.600   5.662   1.698
  241   HH21  ARG  30          HH21      ARG  30  -6.595   5.823  -1.191
  242   HH22  ARG  30          HH22      ARG  30  -8.190   6.173  -0.515
  243    HA   PRO  31           HA       PRO  31  -8.216   0.394   0.595
  244    HB2  PRO  31           HB2      PRO  31  -7.788  -0.251   3.509
  245    HB3  PRO  31           HB3      PRO  31  -8.726  -1.155   2.281
  246    HG2  PRO  31           HG2      PRO  31  -6.271  -2.013   3.020
  247    HG3  PRO  31           HG3      PRO  31  -6.735  -2.009   1.286
  248    HD2  PRO  31           HD2      PRO  31  -5.074   0.021   2.789
  249    HD3  PRO  31           HD3      PRO  31  -4.780  -0.724   1.188
  250    H    SER  32           H        SER  32 -10.157   0.902   2.030
  251    HA   SER  32           HA       SER  32 -11.630   2.310   2.913
  252    HB2  SER  32           HB2      SER  32  -9.298   3.359   4.532
  253    HB3  SER  32           HB3      SER  32 -11.014   3.680   4.840
  254    HG   SER  32           HG       SER  32 -10.229   1.893   6.048
  255    H    GLY  33           H        GLY  33 -11.842   3.167   0.719
  256    HA2  GLY  33           HA2      GLY  33 -12.434   5.079  -0.511
  257    HA3  GLY  33           HA3      GLY  33 -11.526   6.107   0.608
  258    H1   NAG 101           H1       NAG  34  11.634   0.817  -0.672
  259    H2   NAG 101           H2       NAG  34  12.890   3.158  -2.193
  260    H3   NAG 101           H3       NAG  34  10.160   1.764  -2.163
  261    H4   NAG 101           H4       NAG  34  12.311   2.125  -4.290
  262    H5   NAG 101           H5       NAG  34  11.334  -0.365  -2.850
  263    H61  NAG 101           H61      NAG  34  13.045  -1.622  -3.903
  264    H62  NAG 101           H62      NAG  34  12.292  -0.707  -5.214
  265    H81  NAG 101           H2M      NAG  34  10.057   5.612   0.653
  266    H82  NAG 101           H3M      NAG  34  11.209   6.856   0.116
  267    H83  NAG 101           H1M      NAG  34  11.750   5.556   1.199
  268    HN2  NAG 101           H2N      NAG  34  11.343   3.256   0.274
  269    HO3  NAG 101           H3O      NAG  34  10.765   4.338  -2.874
  270    HO4  NAG 101           H4O      NAG  34   9.991   2.074  -4.759
  271    HO6  NAG 101           H6O      NAG  34  14.544   0.207  -3.716
  Start of MODEL    9
    1    H1   LYS   1           H1       LYS   1  -8.211   2.783  -1.337
    2    H2   LYS   1           H2       LYS   1  -7.220   2.101  -2.440
    3    H3   LYS   1           H3       LYS   1  -7.107   1.666  -0.865
    4    HA   LYS   1           HA       LYS   1  -9.332   0.641  -0.982
    5    HB2  LYS   1           HB2      LYS   1  -9.029   1.467  -3.902
    6    HB3  LYS   1           HB3      LYS   1 -10.301   0.405  -3.315
    7    HG2  LYS   1           HG2      LYS   1 -11.470   2.065  -2.232
    8    HG3  LYS   1           HG3      LYS   1 -10.082   3.077  -1.949
    9    HD2  LYS   1           HD2      LYS   1 -11.517   2.716  -4.596
   10    HD3  LYS   1           HD3      LYS   1 -11.592   4.126  -3.542
   11    HE2  LYS   1           HE2      LYS   1  -9.114   3.153  -5.042
   12    HE3  LYS   1           HE3      LYS   1 -10.146   4.502  -5.514
   13    HZ1  LYS   1           HZ1      LYS   1  -8.068   5.120  -4.308
   14    HZ2  LYS   1           HZ2      LYS   1  -9.436   5.649  -3.420
   15    HZ3  LYS   1           HZ3      LYS   1  -8.603   4.404  -2.970
   16    H    LEU   2           H        LEU   2  -9.614  -1.622  -2.445
   17    HA   LEU   2           HA       LEU   2  -6.998  -2.483  -3.488
   18    HB2  LEU   2           HB2      LEU   2  -8.546  -4.001  -1.361
   19    HB3  LEU   2           HB3      LEU   2  -7.268  -4.699  -2.346
   20    HG   LEU   2           HG       LEU   2  -6.901  -2.414  -0.371
   21   HD11  LEU   2          HD11      LEU   2  -5.605  -4.190   0.887
   22   HD12  LEU   2          HD12      LEU   2  -7.354  -4.499   0.784
   23   HD13  LEU   2          HD13      LEU   2  -6.225  -5.379  -0.261
   24   HD21  LEU   2          HD21      LEU   2  -4.564  -2.600  -0.717
   25   HD22  LEU   2          HD22      LEU   2  -4.731  -4.048  -1.744
   26   HD23  LEU   2          HD23      LEU   2  -5.226  -2.445  -2.327
   27    HA   PRO   3           HA       PRO   3 -10.067  -4.270  -6.326
   28    HB2  PRO   3           HB2      PRO   3  -7.680  -4.798  -8.027
   29    HB3  PRO   3           HB3      PRO   3  -9.180  -3.928  -8.433
   30    HG2  PRO   3           HG2      PRO   3  -6.796  -2.620  -8.046
   31    HG3  PRO   3           HG3      PRO   3  -8.375  -1.907  -7.589
   32    HD2  PRO   3           HD2      PRO   3  -6.346  -3.255  -5.806
   33    HD3  PRO   3           HD3      PRO   3  -7.317  -1.784  -5.529
   34    HA   PRO   4           HA       PRO   4  -9.545  -8.705  -5.802
   35    HB2  PRO   4           HB2      PRO   4  -9.169  -8.986  -8.791
   36    HB3  PRO   4           HB3      PRO   4 -10.165  -9.979  -7.680
   37    HG2  PRO   4           HG2      PRO   4 -11.333  -8.056  -9.177
   38    HG3  PRO   4           HG3      PRO   4 -11.776  -8.218  -7.444
   39    HD2  PRO   4           HD2      PRO   4  -9.868  -6.254  -8.725
   40    HD3  PRO   4           HD3      PRO   4 -11.117  -5.962  -7.475
   41    H    GLY   5           H        GLY   5  -7.798  -9.563  -4.873
   42    HA2  GLY   5           HA2      GLY   5  -5.867 -10.834  -4.834
   43    HA3  GLY   5           HA3      GLY   5  -5.472 -10.317  -6.472
   44    H    TRP   6           H        TRP   6  -6.006  -7.457  -4.682
   45    HA   TRP   6           HA       TRP   6  -3.118  -7.000  -4.387
   46    HB2  TRP   6           HB2      TRP   6  -5.563  -5.238  -4.118
   47    HB3  TRP   6           HB3      TRP   6  -3.910  -4.710  -3.872
   48    HD1  TRP   6           HD1      TRP   6  -6.159  -6.042  -6.680
   49    HE1  TRP   6           HE1      TRP   6  -5.353  -5.105  -8.935
   50    HE3  TRP   6           HE3      TRP   6  -1.829  -3.821  -5.121
   51    HZ2  TRP   6           HZ2      TRP   6  -3.103  -3.633  -9.936
   52    HZ3  TRP   6           HZ3      TRP   6  -0.342  -2.738  -6.761
   53    HH2  TRP   6           HH2      TRP   6  -0.961  -2.615  -9.164
   54    H    GLU   7           H        GLU   7  -2.036  -7.360  -2.507
   55    HA   GLU   7           HA       GLU   7  -3.412  -6.722   0.015
   56    HB2  GLU   7           HB2      GLU   7  -2.711  -8.900   1.037
   57    HB3  GLU   7           HB3      GLU   7  -4.058  -8.889  -0.062
   58    HG2  GLU   7           HG2      GLU   7  -3.023 -10.842  -0.625
   59    HG3  GLU   7           HG3      GLU   7  -2.478  -9.769  -1.901
   60    H    LYS   8           H        LYS   8  -2.019  -6.704   1.927
   61    HA   LYS   8           HA       LYS   8  -0.126  -4.761   1.539
   62    HB2  LYS   8           HB2      LYS   8   0.133  -4.643   3.816
   63    HB3  LYS   8           HB3      LYS   8  -1.501  -5.213   3.593
   64    HG2  LYS   8           HG2      LYS   8   0.875  -6.900   4.484
   65    HG3  LYS   8           HG3      LYS   8  -0.347  -6.185   5.510
   66    HD2  LYS   8           HD2      LYS   8  -1.069  -8.365   5.422
   67    HD3  LYS   8           HD3      LYS   8  -2.085  -7.601   4.191
   68    HE2  LYS   8           HE2      LYS   8  -0.454  -8.402   2.451
   69    HE3  LYS   8           HE3      LYS   8   0.495  -9.177   3.702
   70    HZ1  LYS   8           HZ1      LYS   8  -1.107 -10.520   2.362
   71    HZ2  LYS   8           HZ2      LYS   8  -1.206 -10.762   4.010
   72    HZ3  LYS   8           HZ3      LYS   8  -2.340  -9.855   3.208
   73    H    ARG   9           H        ARG   9   2.031  -4.455   1.230
   74    HA   ARG   9           HA       ARG   9   3.937  -6.645   1.706
   75    HB2  ARG   9           HB2      ARG   9   2.776  -6.428  -0.668
   76    HB3  ARG   9           HB3      ARG   9   3.680  -4.938  -0.790
   77    HG2  ARG   9           HG2      ARG   9   5.062  -6.274  -1.828
   78    HG3  ARG   9           HG3      ARG   9   5.757  -6.551  -0.239
   79    HD2  ARG   9           HD2      ARG   9   4.212  -8.339  -2.079
   80    HD3  ARG   9           HD3      ARG   9   5.655  -8.710  -1.139
   81    HE   ARG   9           HE       ARG   9   3.976  -8.575   0.884
   82   HH11  ARG   9          HH11      ARG   9   3.094 -10.049  -2.225
   83   HH12  ARG   9          HH12      ARG   9   1.512 -10.470  -1.530
   84   HH21  ARG   9          HH22      ARG   9   1.904  -9.051   1.414
   85   HH22  ARG   9          HH21      ARG   9   1.017 -10.229   0.493
   86    H    MET  10           H        MET  10   6.277  -5.663   1.391
   87    HA   MET  10           HA       MET  10   6.434  -2.810   2.013
   88    HB2  MET  10           HB2      MET  10   5.879  -4.058   4.174
   89    HB3  MET  10           HB3      MET  10   7.424  -4.897   4.001
   90    HG2  MET  10           HG2      MET  10   8.576  -2.667   4.040
   91    HG3  MET  10           HG3      MET  10   7.012  -1.888   4.214
   92    HE1  MET  10           HE1      MET  10   9.939  -3.747   5.832
   93    HE2  MET  10           HE2      MET  10   9.324  -4.263   7.420
   94    HE3  MET  10           HE3      MET  10   8.754  -5.071   5.944
   95    H    PHE  11           H        PHE  11   8.375  -1.935   1.506
   96    HA   PHE  11           HA       PHE  11  10.466  -3.588   0.238
   97    HB2  PHE  11           HB2      PHE  11  10.215  -0.612   0.750
   98    HB3  PHE  11           HB3      PHE  11  11.535  -1.361  -0.121
   99    HD1  PHE  11           HD1      PHE  11  11.000  -2.809  -2.183
  100    HD2  PHE  11           HD2      PHE  11   8.231   0.091  -0.527
  101    HE1  PHE  11           HE1      PHE  11   9.820  -2.682  -4.357
  102    HE2  PHE  11           HE2      PHE  11   7.106   0.213  -2.733
  103    HZ   PHE  11           HZ       PHE  11   7.890  -1.145  -4.633
  104    H    ALA  12           H        ALA  12  12.760  -3.436   0.916
  105    HA   ALA  12           HA       ALA  12  13.325  -3.771   3.642
  106    HB1  ALA  12           HB1      ALA  12  15.148  -2.834   1.381
  107    HB2  ALA  12           HB2      ALA  12  15.672  -3.521   2.932
  108    HB3  ALA  12           HB3      ALA  12  14.765  -4.526   1.787
  109    H    ASN  13           H        ASN  13  13.030  -0.787   1.833
  110    HA   ASN  13           HA       ASN  13  14.103   1.056   3.766
  111    HB2  ASN  13           HB2      ASN  13  11.999   1.365   1.598
  112    HB3  ASN  13           HB3      ASN  13  12.831   2.703   2.379
  113   HD21  ASN  13          HD21      ASN  13  14.600   2.063  -0.826
  114    H    GLY  14           H        GLY  14  11.984  -1.010   4.797
  115    HA2  GLY  14           HA2      GLY  14  10.040  -1.163   5.977
  116    HA3  GLY  14           HA3      GLY  14  10.504   0.387   6.697
  117    H    THR  15           H        THR  15   9.651  -0.152   3.253
  118    HA   THR  15           HA       THR  15   7.666   2.067   3.537
  119    HB   THR  15           HB       THR  15   9.215   1.148   1.121
  120    HG1  THR  15           HG1      THR  15  10.198   2.410   3.079
  121   HG21  THR  15          HG21      THR  15   7.525   3.643   1.523
  122   HG22  THR  15          HG22      THR  15   8.444   3.196   0.067
  123   HG23  THR  15          HG23      THR  15   7.039   2.234   0.554
  124    H    VAL  16           H        VAL  16   5.626   1.364   3.696
  125    HA   VAL  16           HA       VAL  16   4.942  -1.323   2.735
  126    HB   VAL  16           HB       VAL  16   3.598   0.673   4.580
  127   HG11  VAL  16          HG11      VAL  16   1.843  -1.052   5.001
  128   HG12  VAL  16          HG12      VAL  16   1.719  -0.367   3.384
  129   HG13  VAL  16          HG13      VAL  16   2.434  -1.980   3.609
  130   HG21  VAL  16          HG21      VAL  16   5.442  -0.752   5.478
  131   HG22  VAL  16          HG22      VAL  16   3.886  -1.160   6.209
  132   HG23  VAL  16          HG23      VAL  16   4.552  -2.203   4.936
  133    H    TYR  17           H        TYR  17   3.626  -1.844   1.186
  134    HA   TYR  17           HA       TYR  17   1.965   0.117  -0.261
  135    HB2  TYR  17           HB2      TYR  17   2.997  -0.458  -2.394
  136    HB3  TYR  17           HB3      TYR  17   4.222   0.173  -1.313
  137    HD1  TYR  17           HD1      TYR  17   5.899  -1.235  -0.310
  138    HD2  TYR  17           HD2      TYR  17   3.150  -2.827  -3.230
  139    HE1  TYR  17           HE1      TYR  17   7.501  -3.048  -0.825
  140    HE2  TYR  17           HE2      TYR  17   4.737  -4.669  -3.706
  141    HH   TYR  17           HH       TYR  17   7.979  -4.801  -2.234
  142    H    TYR  18           H        TYR  18   0.758  -1.227  -2.072
  143    HA   TYR  18           HA       TYR  18   0.101  -3.938  -1.006
  144    HB2  TYR  18           HB2      TYR  18  -1.691  -1.846  -2.255
  145    HB3  TYR  18           HB3      TYR  18  -2.155  -3.535  -1.999
  146    HD1  TYR  18           HD2      TYR  18  -0.842  -0.520  -0.215
  147    HD2  TYR  18           HD1      TYR  18  -2.864  -4.294   0.171
  148    HE1  TYR  18           HE2      TYR  18  -0.847  -0.239   2.191
  149    HE2  TYR  18           HE1      TYR  18  -3.118  -3.895   2.623
  150    HH   TYR  18           HH       TYR  18  -1.500  -1.187   4.264
  151    H    PHE  19           H        PHE  19   0.111  -5.638  -2.217
  152    HA   PHE  19           HA       PHE  19   1.265  -5.409  -4.950
  153    HB2  PHE  19           HB2      PHE  19   2.843  -6.003  -3.212
  154    HB3  PHE  19           HB3      PHE  19   1.781  -7.236  -2.582
  155    HD1  PHE  19           HD1      PHE  19   1.390  -9.397  -3.884
  156    HD2  PHE  19           HD2      PHE  19   4.304  -6.425  -5.059
  157    HE1  PHE  19           HE1      PHE  19   2.690 -11.122  -5.094
  158    HE2  PHE  19           HE2      PHE  19   5.563  -8.115  -6.271
  159    HZ   PHE  19           HZ       PHE  19   4.787 -10.512  -6.278
  160    H    ASN  20           H        ASN  20   0.308  -6.526  -6.534
  161    HA   ASN  20           HA       ASN  20  -2.126  -8.040  -5.948
  162    HB2  ASN  20           HB2      ASN  20  -2.016  -6.374  -7.788
  163    HB3  ASN  20           HB3      ASN  20  -0.821  -7.383  -8.588
  164   HD21  ASN  20          HD22      ASN  20  -4.205  -7.115  -7.606
  165   HD22  ASN  20          HD21      ASN  20  -4.806  -8.505  -8.457
  166    H    HIS  21           H        HIS  21  -1.720 -10.073  -5.132
  167    HA   HIS  21           HA       HIS  21   0.643 -11.541  -5.888
  168    HB2  HIS  21           HB2      HIS  21  -0.040 -13.159  -4.361
  169    HB3  HIS  21           HB3      HIS  21  -0.565 -11.639  -3.680
  170    HD2  HIS  21           HD2      HIS  21  -2.017 -14.734  -5.535
  171    HE1  HIS  21           HE1      HIS  21  -5.196 -12.970  -3.305
  172    HE2  HIS  21           HE2      HIS  21  -4.534 -14.951  -4.780
  173    H    ILE  22           H        ILE  22  -2.084 -11.077  -7.783
  174    HA   ILE  22           HA       ILE  22  -1.989 -13.768  -9.028
  175    HB   ILE  22           HB       ILE  22  -3.798 -11.384  -9.601
  176   HG12  ILE  22          HG12      ILE  22  -4.356 -13.883  -7.935
  177   HG13  ILE  22          HG13      ILE  22  -4.126 -12.261  -7.288
  178   HG21  ILE  22          HG21      ILE  22  -3.635 -12.904 -11.533
  179   HG22  ILE  22          HG22      ILE  22  -4.001 -14.294 -10.489
  180   HG23  ILE  22          HG23      ILE  22  -5.214 -13.031 -10.803
  181   HD11  ILE  22          HD11      ILE  22  -6.466 -13.195  -8.962
  182   HD12  ILE  22          HD12      ILE  22  -6.451 -12.653  -7.282
  183   HD13  ILE  22          HD13      ILE  22  -6.136 -11.485  -8.581
  184    H    THR  23           H        THR  23  -0.672 -10.576  -9.412
  185    HA   THR  23           HA       THR  23   0.301 -11.220 -12.186
  186    HB   THR  23           HB       THR  23  -0.055  -8.848 -12.758
  187    HG1  THR  23           HG1      THR  23  -1.479  -8.715 -10.324
  188   HG21  THR  23          HG21      THR  23  -1.885 -10.437 -13.276
  189   HG22  THR  23          HG22      THR  23  -2.639 -10.080 -11.709
  190   HG23  THR  23          HG23      THR  23  -2.473  -8.799 -12.928
  191    H    ASN  24           H        ASN  24   1.272 -10.145  -9.039
  192    HA   ASN  24           HA       ASN  24   3.148  -9.362  -8.192
  193    HB2  ASN  24           HB2      ASN  24   4.182 -10.978  -9.963
  194    HB3  ASN  24           HB3      ASN  24   4.616  -9.511 -10.835
  195   HD21  ASN  24          HD22      ASN  24   5.711  -7.807  -9.153
  196   HD22  ASN  24          HD21      ASN  24   7.087  -8.588  -8.336
  197    H    ALA  25           H        ALA  25   1.106  -7.598  -9.988
  198    HA   ALA  25           HA       ALA  25   2.654  -5.181 -10.363
  199    HB1  ALA  25           HB1      ALA  25   0.481  -4.099 -10.546
  200    HB2  ALA  25           HB2      ALA  25   0.453  -5.631 -11.438
  201    HB3  ALA  25           HB3      ALA  25  -0.332  -5.515  -9.848
  202    H    SER  26           H        SER  26   2.573  -3.214  -8.978
  203    HA   SER  26           HA       SER  26   1.920  -3.616  -6.116
  204    HB2  SER  26           HB2      SER  26   4.201  -2.902  -5.465
  205    HB3  SER  26           HB3      SER  26   4.209  -4.444  -6.300
  206    HG   SER  26           HG       SER  26   4.558  -1.970  -7.655
  207    H    GLN  27           H        GLN  27   1.130  -1.754  -5.198
  208    HA   GLN  27           HA       GLN  27   1.852   0.887  -6.345
  209    HB2  GLN  27           HB2      GLN  27  -0.968  -0.248  -6.082
  210    HB3  GLN  27           HB3      GLN  27  -0.641   1.475  -6.228
  211    HG2  GLN  27           HG2      GLN  27   0.131  -0.591  -8.328
  212    HG3  GLN  27           HG3      GLN  27  -1.295   0.437  -8.375
  213   HE21  GLN  27          HE22      GLN  27   2.284   0.426  -8.661
  214   HE22  GLN  27          HE21      GLN  27   2.298   2.041  -9.397
  215    H    PHE  28           H        PHE  28   1.493   2.655  -5.012
  216    HA   PHE  28           HA       PHE  28   1.738   2.046  -2.176
  217    HB2  PHE  28           HB2      PHE  28   1.931   4.628  -3.764
  218    HB3  PHE  28           HB3      PHE  28   2.248   4.489  -2.039
  219    HD1  PHE  28           HD2      PHE  28   3.996   2.710  -1.264
  220    HD2  PHE  28           HD1      PHE  28   3.740   4.265  -5.281
  221    HE1  PHE  28           HE2      PHE  28   6.352   2.095  -1.651
  222    HE2  PHE  28           HE1      PHE  28   6.109   3.614  -5.673
  223    HZ   PHE  28           HZ       PHE  28   7.419   2.538  -3.854
  224    H    GLU  29           H        GLU  29  -1.046   2.647  -4.045
  225    HA   GLU  29           HA       GLU  29  -2.486   4.220  -2.078
  226    HB2  GLU  29           HB2      GLU  29  -3.184   3.723  -4.560
  227    HB3  GLU  29           HB3      GLU  29  -3.845   2.217  -3.896
  228    HG2  GLU  29           HG2      GLU  29  -5.057   3.718  -2.160
  229    HG3  GLU  29           HG3      GLU  29  -4.530   5.092  -3.116
  230    H    ARG  30           H        ARG  30  -4.010   3.410  -0.491
  231    HA   ARG  30           HA       ARG  30  -3.409   0.686   0.512
  232    HB2  ARG  30           HB2      ARG  30  -3.416   3.178   2.272
  233    HB3  ARG  30           HB3      ARG  30  -2.979   1.526   2.732
  234    HG2  ARG  30           HG2      ARG  30  -1.121   1.697   0.932
  235    HG3  ARG  30           HG3      ARG  30  -1.477   3.425   0.910
  236    HD2  ARG  30           HD2      ARG  30  -0.840   3.630   3.267
  237    HD3  ARG  30           HD3      ARG  30  -0.590   1.884   3.370
  238    HE   ARG  30           HE       ARG  30   1.463   2.090   2.259
  239   HH11  ARG  30          HH11      ARG  30  -0.207   5.125   1.775
  240   HH12  ARG  30          HH12      ARG  30   1.146   5.829   0.935
  241   HH21  ARG  30          HH21      ARG  30   3.086   2.962   1.260
  242   HH22  ARG  30          HH22      ARG  30   3.066   4.643   0.724
  243    HA   PRO  31           HA       PRO  31  -7.556  -0.017   0.950
  244    HB2  PRO  31           HB2      PRO  31  -7.349  -0.401   3.944
  245    HB3  PRO  31           HB3      PRO  31  -8.172  -1.450   2.747
  246    HG2  PRO  31           HG2      PRO  31  -5.694  -2.104   3.647
  247    HG3  PRO  31           HG3      PRO  31  -6.088  -2.243   1.907
  248    HD2  PRO  31           HD2      PRO  31  -4.533  -0.083   3.302
  249    HD3  PRO  31           HD3      PRO  31  -4.249  -0.862   1.713
  250    H    SER  32           H        SER  32  -6.545   2.217   3.086
  251    HA   SER  32           HA       SER  32  -9.000   3.237   4.219
  252    HB2  SER  32           HB2      SER  32  -7.488   4.885   5.317
  253    HB3  SER  32           HB3      SER  32  -6.919   3.217   5.463
  254    HG   SER  32           HG       SER  32  -5.936   5.278   3.810
  255    H    GLY  33           H        GLY  33  -7.892   3.945   1.065
  256    HA2  GLY  33           HA2      GLY  33  -9.632   6.299   0.932
  257    HA3  GLY  33           HA3      GLY  33  -7.919   6.633   0.662
  258    H1   NAG 101           H1       NAG  34  11.877   1.109  -0.393
  259    H2   NAG 101           H2       NAG  34  12.492   3.753  -1.817
  260    H3   NAG 101           H3       NAG  34   9.919   2.104  -1.753
  261    H4   NAG 101           H4       NAG  34  11.867   2.794  -4.003
  262    H5   NAG 101           H5       NAG  34  11.116   0.163  -2.672
  263    H61  NAG 101           H61      NAG  34  12.733  -0.964  -4.024
  264    H62  NAG 101           H62      NAG  34  11.721  -0.058  -5.153
  265    H81  NAG 101           H2M      NAG  34  10.887   6.792   1.229
  266    H82  NAG 101           H3M      NAG  34  11.335   5.285   2.053
  267    H83  NAG 101           H1M      NAG  34   9.661   5.535   1.500
  268    HN2  NAG 101           H2N      NAG  34  11.054   3.236   0.724
  269    HO3  NAG 101           H3O      NAG  34  10.302   4.758  -2.166
  270    HO4  NAG 101           H4O      NAG  34   9.548   2.723  -4.318
  271    HO6  NAG 101           H6O      NAG  34  14.145   0.928  -4.007
  Start of MODEL   10
    1    H1   LYS   1           H1       LYS   1 -12.973  -0.818  -4.227
    2    H2   LYS   1           H2       LYS   1 -13.068   0.822  -4.123
    3    H3   LYS   1           H3       LYS   1 -12.041  -0.017  -3.163
    4    HA   LYS   1           HA       LYS   1 -11.864   0.207  -6.109
    5    HB2  LYS   1           HB2      LYS   1 -11.274   2.314  -5.026
    6    HB3  LYS   1           HB3      LYS   1 -10.120   1.489  -3.967
    7    HG2  LYS   1           HG2      LYS   1  -8.743   0.846  -5.893
    8    HG3  LYS   1           HG3      LYS   1  -9.935   1.525  -7.018
    9    HD2  LYS   1           HD2      LYS   1  -9.488   3.781  -6.208
   10    HD3  LYS   1           HD3      LYS   1  -8.450   3.152  -4.908
   11    HE2  LYS   1           HE2      LYS   1  -6.901   2.207  -6.567
   12    HE3  LYS   1           HE3      LYS   1  -7.891   2.831  -7.898
   13    HZ1  LYS   1           HZ1      LYS   1  -7.276   5.048  -7.296
   14    HZ2  LYS   1           HZ2      LYS   1  -6.780   4.574  -5.777
   15    HZ3  LYS   1           HZ3      LYS   1  -5.857   4.198  -6.962
   16    H    LEU   2           H        LEU   2 -10.013  -0.917  -3.190
   17    HA   LEU   2           HA       LEU   2  -7.970  -2.139  -4.624
   18    HB2  LEU   2           HB2      LEU   2  -8.053  -1.438  -2.230
   19    HB3  LEU   2           HB3      LEU   2  -9.137  -2.783  -1.891
   20    HG   LEU   2           HG       LEU   2  -7.310  -4.365  -2.592
   21   HD11  LEU   2          HD11      LEU   2  -5.005  -3.522  -2.730
   22   HD12  LEU   2          HD12      LEU   2  -5.963  -2.798  -4.010
   23   HD13  LEU   2          HD13      LEU   2  -5.567  -1.848  -2.568
   24   HD21  LEU   2          HD21      LEU   2  -6.667  -2.393  -0.345
   25   HD22  LEU   2          HD22      LEU   2  -7.728  -3.814  -0.229
   26   HD23  LEU   2          HD23      LEU   2  -6.000  -4.033  -0.505
   27    HA   PRO   3           HA       PRO   3 -10.383  -5.740  -5.956
   28    HB2  PRO   3           HB2      PRO   3  -8.832  -6.622  -8.004
   29    HB3  PRO   3           HB3      PRO   3  -9.648  -5.027  -8.069
   30    HG2  PRO   3           HG2      PRO   3  -6.812  -5.649  -7.214
   31    HG3  PRO   3           HG3      PRO   3  -7.340  -4.454  -8.450
   32    HD2  PRO   3           HD2      PRO   3  -6.820  -3.750  -5.861
   33    HD3  PRO   3           HD3      PRO   3  -8.122  -2.968  -6.806
   34    HA   PRO   4           HA       PRO   4  -8.933  -9.298  -3.897
   35    HB2  PRO   4           HB2      PRO   4  -9.331 -11.441  -5.650
   36    HB3  PRO   4           HB3      PRO   4 -10.582 -10.644  -4.650
   37    HG2  PRO   4           HG2      PRO   4  -9.875 -10.108  -7.545
   38    HG3  PRO   4           HG3      PRO   4 -11.503 -10.298  -6.814
   39    HD2  PRO   4           HD2      PRO   4 -10.517  -7.856  -7.315
   40    HD3  PRO   4           HD3      PRO   4 -11.377  -8.155  -5.780
   41    H    GLY   5           H        GLY   5  -7.157 -10.396  -3.402
   42    HA2  GLY   5           HA2      GLY   5  -5.013 -11.285  -3.565
   43    HA3  GLY   5           HA3      GLY   5  -4.975 -10.909  -5.291
   44    H    TRP   6           H        TRP   6  -5.895  -7.956  -4.391
   45    HA   TRP   6           HA       TRP   6  -3.135  -6.989  -4.145
   46    HB2  TRP   6           HB2      TRP   6  -5.039  -6.254  -5.825
   47    HB3  TRP   6           HB3      TRP   6  -5.504  -5.210  -4.510
   48    HD1  TRP   6           HD1      TRP   6  -2.466  -4.467  -3.628
   49    HE1  TRP   6           HE1      TRP   6  -1.053  -2.878  -5.094
   50    HE3  TRP   6           HE3      TRP   6  -4.901  -5.064  -8.094
   51    HZ2  TRP   6           HZ2      TRP   6  -1.210  -1.766  -7.757
   52    HZ3  TRP   6           HZ3      TRP   6  -4.265  -3.716 -10.060
   53    HH2  TRP   6           HH2      TRP   6  -2.436  -2.045  -9.896
   54    H    GLU   7           H        GLU   7  -2.293  -6.692  -2.166
   55    HA   GLU   7           HA       GLU   7  -3.910  -5.236  -0.185
   56    HB2  GLU   7           HB2      GLU   7  -3.509  -8.135  -0.040
   57    HB3  GLU   7           HB3      GLU   7  -2.765  -7.362   1.345
   58    HG2  GLU   7           HG2      GLU   7  -5.656  -6.896   0.487
   59    HG3  GLU   7           HG3      GLU   7  -5.135  -8.069   1.692
   60    H    LYS   8           H        LYS   8  -2.719  -4.642   1.767
   61    HA   LYS   8           HA       LYS   8  -0.410  -3.242   1.186
   62    HB2  LYS   8           HB2      LYS   8  -0.103  -2.656   3.400
   63    HB3  LYS   8           HB3      LYS   8  -1.822  -2.748   3.129
   64    HG2  LYS   8           HG2      LYS   8  -0.312  -5.046   4.444
   65    HG3  LYS   8           HG3      LYS   8  -0.769  -3.620   5.359
   66    HD2  LYS   8           HD2      LYS   8  -2.742  -5.337   3.836
   67    HD3  LYS   8           HD3      LYS   8  -2.383  -5.537   5.544
   68    HE2  LYS   8           HE2      LYS   8  -3.520  -3.676   6.209
   69    HE3  LYS   8           HE3      LYS   8  -3.069  -2.741   4.778
   70    HZ1  LYS   8           HZ1      LYS   8  -4.683  -3.944   3.489
   71    HZ2  LYS   8           HZ2      LYS   8  -5.067  -4.930   4.609
   72    HZ3  LYS   8           HZ3      LYS   8  -5.477  -3.307   4.815
   73    H    ARG   9           H        ARG   9   1.766  -3.296   1.456
   74    HA   ARG   9           HA       ARG   9   3.170  -5.796   2.076
   75    HB2  ARG   9           HB2      ARG   9   2.239  -5.033  -0.424
   76    HB3  ARG   9           HB3      ARG   9   3.679  -4.065  -0.349
   77    HG2  ARG   9           HG2      ARG   9   4.026  -6.118  -1.471
   78    HG3  ARG   9           HG3      ARG   9   5.041  -6.081  -0.029
   79    HD2  ARG   9           HD2      ARG   9   3.850  -8.264  -0.717
   80    HD3  ARG   9           HD3      ARG   9   3.869  -7.799   0.997
   81    HE   ARG   9           HE       ARG   9   1.511  -6.849   0.561
   82   HH11  ARG   9          HH21      ARG   9   2.499 -10.008  -0.573
   83   HH12  ARG   9          HH22      ARG   9   0.835 -10.369  -1.058
   84   HH21  ARG   9          HH11      ARG   9  -0.396  -7.266  -0.518
   85   HH22  ARG   9          HH12      ARG   9  -0.682  -8.926  -1.055
   86    H    MET  10           H        MET  10   5.642  -5.302   2.028
   87    HA   MET  10           HA       MET  10   6.351  -2.491   2.412
   88    HB2  MET  10           HB2      MET  10   5.473  -3.240   4.636
   89    HB3  MET  10           HB3      MET  10   6.716  -4.495   4.676
   90    HG2  MET  10           HG2      MET  10   8.481  -2.774   4.621
   91    HG3  MET  10           HG3      MET  10   7.271  -1.512   4.399
   92    HE1  MET  10           HE1      MET  10   7.387  -4.637   6.928
   93    HE2  MET  10           HE2      MET  10   9.036  -3.971   6.825
   94    HE3  MET  10           HE3      MET  10   8.102  -3.813   8.330
   95    H    PHE  11           H        PHE  11   8.245  -2.107   1.589
   96    HA   PHE  11           HA       PHE  11  10.206  -4.140   0.853
   97    HB2  PHE  11           HB2      PHE  11  10.181  -1.097   0.784
   98    HB3  PHE  11           HB3      PHE  11  11.483  -2.107   0.186
   99    HD1  PHE  11           HD2      PHE  11  10.960  -3.884  -1.618
  100    HD2  PHE  11           HD1      PHE  11   8.452  -0.457  -0.778
  101    HE1  PHE  11           HE2      PHE  11   9.964  -4.065  -3.872
  102    HE2  PHE  11           HE1      PHE  11   7.485  -0.663  -3.067
  103    HZ   PHE  11           HZ       PHE  11   8.240  -2.430  -4.603
  104    H    ALA  12           H        ALA  12  11.892  -4.791   2.146
  105    HA   ALA  12           HA       ALA  12  11.995  -4.207   4.874
  106    HB1  ALA  12           HB1      ALA  12  12.815  -6.277   3.822
  107    HB2  ALA  12           HB2      ALA  12  14.147  -5.375   3.057
  108    HB3  ALA  12           HB3      ALA  12  14.072  -5.532   4.825
  109    H    ASN  13           H        ASN  13  13.705  -2.516   2.246
  110    HA   ASN  13           HA       ASN  13  15.409  -0.956   3.987
  111    HB2  ASN  13           HB2      ASN  13  15.791   0.346   1.865
  112    HB3  ASN  13           HB3      ASN  13  16.169  -1.366   1.771
  113   HD21  ASN  13          HD21      ASN  13  14.713   1.123   0.075
  114    H    GLY  14           H        GLY  14  12.126  -0.948   3.983
  115    HA2  GLY  14           HA2      GLY  14  10.977   0.428   5.439
  116    HA3  GLY  14           HA3      GLY  14  12.140   1.730   5.197
  117    H    THR  15           H        THR  15   9.725  -0.120   3.134
  118    HA   THR  15           HA       THR  15   8.307   2.431   2.735
  119    HB   THR  15           HB       THR  15   9.651   1.088   0.385
  120    HG1  THR  15           HG1      THR  15  10.317   3.016   2.011
  121   HG21  THR  15          HG21      THR  15   8.616   2.857  -0.980
  122   HG22  THR  15          HG22      THR  15   7.360   1.790  -0.312
  123   HG23  THR  15          HG23      THR  15   7.657   3.396   0.409
  124    H    VAL  16           H        VAL  16   6.224   2.061   2.967
  125    HA   VAL  16           HA       VAL  16   5.143  -0.662   2.548
  126    HB   VAL  16           HB       VAL  16   4.148   1.816   3.988
  127   HG11  VAL  16          HG11      VAL  16   2.125   0.879   2.943
  128   HG12  VAL  16          HG12      VAL  16   2.563  -0.748   3.510
  129   HG13  VAL  16          HG13      VAL  16   2.137   0.525   4.668
  130   HG21  VAL  16          HG21      VAL  16   4.628  -1.054   4.898
  131   HG22  VAL  16          HG22      VAL  16   5.757   0.296   5.164
  132   HG23  VAL  16          HG23      VAL  16   4.165   0.308   5.935
  133    H    TYR  17           H        TYR  17   3.588  -1.147   1.090
  134    HA   TYR  17           HA       TYR  17   2.363   0.860  -0.686
  135    HB2  TYR  17           HB2      TYR  17   3.312  -0.170  -2.704
  136    HB3  TYR  17           HB3      TYR  17   4.596   0.427  -1.681
  137    HD1  TYR  17           HD1      TYR  17   5.906  -1.144  -0.266
  138    HD2  TYR  17           HD2      TYR  17   3.280  -2.518  -3.392
  139    HE1  TYR  17           HE1      TYR  17   7.144  -3.331  -0.364
  140    HE2  TYR  17           HE2      TYR  17   4.645  -4.631  -3.569
  141    HH   TYR  17           HH       TYR  17   6.541  -5.715  -2.893
  142    H    TYR  18           H        TYR  18   0.808  -0.415  -2.232
  143    HA   TYR  18           HA       TYR  18  -0.066  -3.014  -1.078
  144    HB2  TYR  18           HB2      TYR  18  -1.401  -0.878  -2.768
  145    HB3  TYR  18           HB3      TYR  18  -2.064  -2.505  -2.666
  146    HD1  TYR  18           HD1      TYR  18  -0.731   0.150  -0.363
  147    HD2  TYR  18           HD2      TYR  18  -3.658  -2.958  -1.007
  148    HE1  TYR  18           HE1      TYR  18  -1.504   0.464   1.840
  149    HE2  TYR  18           HE2      TYR  18  -4.647  -2.456   1.211
  150    HH   TYR  18           HH       TYR  18  -4.603  -0.223   2.713
  151    H    PHE  19           H        PHE  19  -0.039  -4.918  -2.105
  152    HA   PHE  19           HA       PHE  19   0.999  -4.997  -4.912
  153    HB2  PHE  19           HB2      PHE  19   2.705  -5.387  -3.178
  154    HB3  PHE  19           HB3      PHE  19   1.748  -6.686  -2.510
  155    HD1  PHE  19           HD2      PHE  19   3.450  -5.622  -5.685
  156    HD2  PHE  19           HD1      PHE  19   2.083  -8.916  -3.273
  157    HE1  PHE  19           HE2      PHE  19   4.667  -7.199  -7.154
  158    HE2  PHE  19           HE1      PHE  19   3.331 -10.494  -4.732
  159    HZ   PHE  19           HZ       PHE  19   4.612  -9.644  -6.674
  160    H    ASN  20           H        ASN  20   0.030  -6.409  -6.263
  161    HA   ASN  20           HA       ASN  20  -2.058  -8.214  -5.217
  162    HB2  ASN  20           HB2      ASN  20  -2.547  -6.720  -7.171
  163    HB3  ASN  20           HB3      ASN  20  -1.379  -7.659  -8.098
  164   HD21  ASN  20          HD21      ASN  20  -4.660  -7.467  -7.171
  165   HD22  ASN  20          HD22      ASN  20  -5.128  -9.120  -7.416
  166    H    HIS  21           H        HIS  21  -1.143  -9.921  -4.257
  167    HA   HIS  21           HA       HIS  21   1.198 -11.222  -5.437
  168    HB2  HIS  21           HB2      HIS  21   0.945 -12.781  -3.480
  169    HB3  HIS  21           HB3      HIS  21   1.193 -11.094  -3.112
  170    HD2  HIS  21           HD2      HIS  21  -1.869 -13.502  -3.401
  171    HE1  HIS  21           HE1      HIS  21  -2.670 -10.675  -0.306
  172    HE2  HIS  21           HE2      HIS  21  -3.555 -12.732  -1.519
  173    H    ILE  22           H        ILE  22  -1.339 -11.179  -7.041
  174    HA   ILE  22           HA       ILE  22  -1.174 -14.057  -7.799
  175    HB   ILE  22           HB       ILE  22  -3.611 -12.297  -8.251
  176   HG12  ILE  22          HG12      ILE  22  -3.216 -14.449  -6.121
  177   HG13  ILE  22          HG13      ILE  22  -3.372 -12.719  -5.820
  178   HG21  ILE  22          HG21      ILE  22  -3.225 -14.130  -9.901
  179   HG22  ILE  22          HG22      ILE  22  -3.190 -15.301  -8.568
  180   HG23  ILE  22          HG23      ILE  22  -4.674 -14.397  -8.951
  181   HD11  ILE  22          HD11      ILE  22  -5.549 -14.552  -6.862
  182   HD12  ILE  22          HD12      ILE  22  -5.474 -13.698  -5.316
  183   HD13  ILE  22          HD13      ILE  22  -5.674 -12.775  -6.819
  184    H    THR  23           H        THR  23  -1.581 -10.638  -8.941
  185    HA   THR  23           HA       THR  23  -0.630 -11.461 -11.632
  186    HB   THR  23           HB       THR  23  -1.284  -9.274 -12.368
  187    HG1  THR  23           HG1      THR  23  -2.287  -7.879 -10.812
  188   HG21  THR  23          HG21      THR  23  -3.667  -9.293 -11.969
  189   HG22  THR  23          HG22      THR  23  -3.106 -10.970 -12.090
  190   HG23  THR  23          HG23      THR  23  -3.475 -10.271 -10.498
  191    H    ASN  24           H        ASN  24   0.650  -9.878  -8.801
  192    HA   ASN  24           HA       ASN  24   2.610  -9.090  -8.236
  193    HB2  ASN  24           HB2      ASN  24   3.690  -9.248 -11.065
  194    HB3  ASN  24           HB3      ASN  24   4.592  -9.018  -9.578
  195   HD21  ASN  24          HD22      ASN  24   2.844 -11.344 -11.530
  196   HD22  ASN  24          HD21      ASN  24   3.498 -12.766 -10.690
  197    H    ALA  25           H        ALA  25   0.288  -7.529  -9.836
  198    HA   ALA  25           HA       ALA  25   1.518  -5.034 -10.518
  199    HB1  ALA  25           HB1      ALA  25  -0.774  -5.717 -11.183
  200    HB2  ALA  25           HB2      ALA  25  -1.296  -5.589  -9.484
  201    HB3  ALA  25           HB3      ALA  25  -0.753  -4.146 -10.365
  202    H    SER  26           H        SER  26   1.506  -2.973  -9.295
  203    HA   SER  26           HA       SER  26   1.383  -3.194  -6.370
  204    HB2  SER  26           HB2      SER  26   3.594  -2.107  -6.125
  205    HB3  SER  26           HB3      SER  26   3.676  -3.759  -6.737
  206    HG   SER  26           HG       SER  26   4.041  -2.962  -8.790
  207    H    GLN  27           H        GLN  27   1.108  -1.230  -5.278
  208    HA   GLN  27           HA       GLN  27   1.043   1.255  -6.867
  209    HB2  GLN  27           HB2      GLN  27  -1.339  -0.124  -5.982
  210    HB3  GLN  27           HB3      GLN  27  -1.170   1.294  -4.972
  211    HG2  GLN  27           HG2      GLN  27  -1.202   1.296  -8.020
  212    HG3  GLN  27           HG3      GLN  27  -2.559   1.689  -6.971
  213   HE21  GLN  27          HE22      GLN  27  -2.917   4.011  -6.707
  214   HE22  GLN  27          HE21      GLN  27  -1.552   5.074  -7.000
  215    H    PHE  28           H        PHE  28   1.755   3.019  -5.770
  216    HA   PHE  28           HA       PHE  28   2.697   2.655  -2.980
  217    HB2  PHE  28           HB2      PHE  28   3.319   4.742  -5.077
  218    HB3  PHE  28           HB3      PHE  28   3.818   4.891  -3.391
  219    HD1  PHE  28           HD2      PHE  28   5.050   2.841  -2.302
  220    HD2  PHE  28           HD1      PHE  28   4.724   3.490  -6.556
  221    HE1  PHE  28           HE2      PHE  28   7.012   1.419  -2.657
  222    HE2  PHE  28           HE1      PHE  28   6.700   2.027  -6.918
  223    HZ   PHE  28           HZ       PHE  28   7.857   0.990  -4.977
  224    H    GLU  29           H        GLU  29  -0.101   3.303  -4.184
  225    HA   GLU  29           HA       GLU  29  -1.110   5.435  -2.405
  226    HB2  GLU  29           HB2      GLU  29  -2.051   5.152  -4.605
  227    HB3  GLU  29           HB3      GLU  29  -2.280   3.406  -4.347
  228    HG2  GLU  29           HG2      GLU  29  -4.038   3.905  -2.680
  229    HG3  GLU  29           HG3      GLU  29  -3.813   5.635  -2.978
  230    H    ARG  30           H        ARG  30  -2.605   4.857  -0.597
  231    HA   ARG  30           HA       ARG  30  -2.396   2.028   0.313
  232    HB2  ARG  30           HB2      ARG  30  -1.834   4.481   1.994
  233    HB3  ARG  30           HB3      ARG  30  -2.006   2.834   2.627
  234    HG2  ARG  30           HG2      ARG  30  -0.041   2.067   1.421
  235    HG3  ARG  30           HG3      ARG  30   0.019   3.538   0.482
  236    HD2  ARG  30           HD2      ARG  30   0.406   4.759   2.761
  237    HD3  ARG  30           HD3      ARG  30   0.804   3.146   3.367
  238    HE   ARG  30           HE       ARG  30   2.763   3.136   2.019
  239   HH11  ARG  30          HH11      ARG  30   0.834   5.884   1.006
  240   HH12  ARG  30          HH12      ARG  30   1.665   5.849  -0.538
  241   HH21  ARG  30          HH21      ARG  30   3.975   3.560   0.317
  242   HH22  ARG  30          HH22      ARG  30   3.660   4.986  -0.690
  243    HA   PRO  31           HA       PRO  31  -6.784   3.163   0.779
  244    HB2  PRO  31           HB2      PRO  31  -7.913   1.374  -0.877
  245    HB3  PRO  31           HB3      PRO  31  -6.924   2.706  -1.543
  246    HG2  PRO  31           HG2      PRO  31  -6.109  -0.166  -1.057
  247    HG3  PRO  31           HG3      PRO  31  -5.803   0.846  -2.505
  248    HD2  PRO  31           HD2      PRO  31  -4.078   0.450  -0.313
  249    HD3  PRO  31           HD3      PRO  31  -3.891   1.743  -1.496
  250    H    SER  32           H        SER  32  -8.723   1.518   1.315
  251    HA   SER  32           HA       SER  32  -7.777  -0.912   2.727
  252    HB2  SER  32           HB2      SER  32  -7.892   0.887   4.427
  253    HB3  SER  32           HB3      SER  32  -9.607   1.136   4.026
  254    HG   SER  32           HG       SER  32  -9.797  -1.195   4.421
  255    H    GLY  33           H        GLY  33  -9.568  -0.117   0.186
  256    HA2  GLY  33           HA2      GLY  33 -11.130  -2.332  -0.020
  257    HA3  GLY  33           HA3      GLY  33 -12.177  -1.172   0.807
  258    H1   NAG 101           H1       NAG  34  12.237  -0.101  -0.444
  259    H2   NAG 101           H2       NAG  34  13.613   2.170  -1.987
  260    H3   NAG 101           H3       NAG  34  10.697   1.298  -1.721
  261    H4   NAG 101           H4       NAG  34  12.565   1.310  -4.148
  262    H5   NAG 101           H5       NAG  34  11.346  -0.965  -2.536
  263    H61  NAG 101           H61      NAG  34  12.624  -2.527  -3.816
  264    H62  NAG 101           H62      NAG  34  11.745  -1.535  -4.982
  265    H81  NAG 101           H2M      NAG  34  13.921   4.915   1.699
  266    H82  NAG 101           H3M      NAG  34  12.883   3.679   2.435
  267    H83  NAG 101           H1M      NAG  34  12.229   4.770   1.188
  268    HN2  NAG 101           H2N      NAG  34  11.593   2.773   0.074
  269    HO3  NAG 101           H3O      NAG  34  11.098   3.654  -1.984
  270    HO4  NAG 101           H4O      NAG  34  10.261   1.763  -4.278
  271    HO6  NAG 101           H6O      NAG  34  14.380  -0.975  -4.033
  Start of MODEL   11
    1    H1   LYS   1           H1       LYS   1  -7.730   3.476  -2.250
    2    H2   LYS   1           H2       LYS   1  -7.822   2.431  -0.994
    3    H3   LYS   1           H3       LYS   1  -8.981   3.593  -1.187
    4    HA   LYS   1           HA       LYS   1  -9.743   1.364  -1.857
    5    HB2  LYS   1           HB2      LYS   1 -10.785   2.147  -3.968
    6    HB3  LYS   1           HB3      LYS   1 -10.930   3.276  -2.639
    7    HG2  LYS   1           HG2      LYS   1  -8.550   4.046  -4.049
    8    HG3  LYS   1           HG3      LYS   1  -9.692   3.621  -5.285
    9    HD2  LYS   1           HD2      LYS   1 -10.924   5.487  -4.973
   10    HD3  LYS   1           HD3      LYS   1 -10.917   5.369  -3.225
   11    HE2  LYS   1           HE2      LYS   1  -8.642   6.484  -4.921
   12    HE3  LYS   1           HE3      LYS   1  -9.838   7.421  -4.013
   13    HZ1  LYS   1           HZ1      LYS   1  -7.996   7.300  -2.581
   14    HZ2  LYS   1           HZ2      LYS   1  -8.973   6.121  -1.992
   15    HZ3  LYS   1           HZ3      LYS   1  -7.673   5.717  -2.904
   16    H    LEU   2           H        LEU   2  -9.151  -0.616  -2.864
   17    HA   LEU   2           HA       LEU   2  -7.517  -0.427  -5.227
   18    HB2  LEU   2           HB2      LEU   2  -5.824  -2.083  -4.405
   19    HB3  LEU   2           HB3      LEU   2  -5.711  -0.446  -3.799
   20    HG   LEU   2           HG       LEU   2  -6.630  -1.158  -1.594
   21   HD11  LEU   2          HD11      LEU   2  -6.706  -3.904  -2.892
   22   HD12  LEU   2          HD12      LEU   2  -6.538  -3.695  -1.154
   23   HD13  LEU   2          HD13      LEU   2  -7.985  -3.085  -1.977
   24   HD21  LEU   2          HD21      LEU   2  -4.210  -1.100  -2.125
   25   HD22  LEU   2          HD22      LEU   2  -4.685  -2.245  -0.869
   26   HD23  LEU   2          HD23      LEU   2  -4.297  -2.838  -2.494
   27    HA   PRO   3           HA       PRO   3  -9.989  -3.858  -6.378
   28    HB2  PRO   3           HB2      PRO   3  -7.754  -5.043  -7.965
   29    HB3  PRO   3           HB3      PRO   3  -9.344  -4.458  -8.520
   30    HG2  PRO   3           HG2      PRO   3  -7.048  -3.057  -9.012
   31    HG3  PRO   3           HG3      PRO   3  -8.600  -2.238  -8.649
   32    HD2  PRO   3           HD2      PRO   3  -6.300  -2.796  -6.764
   33    HD3  PRO   3           HD3      PRO   3  -7.242  -1.301  -7.010
   34    HA   PRO   4           HA       PRO   4  -9.226  -7.742  -4.213
   35    HB2  PRO   4           HB2      PRO   4  -9.693  -9.091  -6.880
   36    HB3  PRO   4           HB3      PRO   4 -10.339  -9.533  -5.267
   37    HG2  PRO   4           HG2      PRO   4 -11.896  -8.182  -7.015
   38    HG3  PRO   4           HG3      PRO   4 -11.858  -7.680  -5.291
   39    HD2  PRO   4           HD2      PRO   4 -10.390  -6.460  -7.638
   40    HD3  PRO   4           HD3      PRO   4 -11.271  -5.648  -6.307
   41    H    GLY   5           H        GLY   5  -7.501  -9.013  -3.705
   42    HA2  GLY   5           HA2      GLY   5  -5.620 -10.325  -3.963
   43    HA3  GLY   5           HA3      GLY   5  -5.573  -9.932  -5.682
   44    H    TRP   6           H        TRP   6  -5.627  -6.880  -4.638
   45    HA   TRP   6           HA       TRP   6  -2.743  -6.498  -4.464
   46    HB2  TRP   6           HB2      TRP   6  -5.099  -4.607  -4.242
   47    HB3  TRP   6           HB3      TRP   6  -3.413  -4.140  -4.219
   48    HD1  TRP   6           HD1      TRP   6  -5.944  -5.783  -6.601
   49    HE1  TRP   6           HE1      TRP   6  -5.396  -5.100  -9.020
   50    HE3  TRP   6           HE3      TRP   6  -1.638  -3.131  -5.752
   51    HZ2  TRP   6           HZ2      TRP   6  -3.428  -3.530 -10.390
   52    HZ3  TRP   6           HZ3      TRP   6  -0.490  -2.013  -7.646
   53    HH2  TRP   6           HH2      TRP   6  -1.369  -2.190  -9.949
   54    H    GLU   7           H        GLU   7  -1.827  -7.209  -2.579
   55    HA   GLU   7           HA       GLU   7  -3.217  -6.605  -0.007
   56    HB2  GLU   7           HB2      GLU   7  -3.220  -8.957  -1.155
   57    HB3  GLU   7           HB3      GLU   7  -1.565  -9.048  -0.631
   58    HG2  GLU   7           HG2      GLU   7  -4.089  -8.743   1.049
   59    HG3  GLU   7           HG3      GLU   7  -3.105 -10.192   0.910
   60    H    LYS   8           H        LYS   8  -1.817  -6.351   1.871
   61    HA   LYS   8           HA       LYS   8   0.091  -4.324   1.363
   62    HB2  LYS   8           HB2      LYS   8   0.227  -4.107   3.733
   63    HB3  LYS   8           HB3      LYS   8  -1.427  -4.583   3.353
   64    HG2  LYS   8           HG2      LYS   8  -0.349  -7.034   3.724
   65    HG3  LYS   8           HG3      LYS   8   0.751  -6.130   4.749
   66    HD2  LYS   8           HD2      LYS   8  -1.060  -5.415   6.178
   67    HD3  LYS   8           HD3      LYS   8  -2.283  -5.965   5.019
   68    HE2  LYS   8           HE2      LYS   8  -0.346  -7.781   6.527
   69    HE3  LYS   8           HE3      LYS   8  -2.060  -7.531   6.904
   70    HZ1  LYS   8           HZ1      LYS   8  -2.004  -9.475   5.554
   71    HZ2  LYS   8           HZ2      LYS   8  -2.426  -8.259   4.479
   72    HZ3  LYS   8           HZ3      LYS   8  -0.966  -8.807   4.444
   73    H    ARG   9           H        ARG   9   2.232  -4.160   1.380
   74    HA   ARG   9           HA       ARG   9   4.011  -6.434   2.167
   75    HB2  ARG   9           HB2      ARG   9   4.288  -4.785  -0.353
   76    HB3  ARG   9           HB3      ARG   9   5.400  -6.049   0.160
   77    HG2  ARG   9           HG2      ARG   9   2.627  -6.396  -0.969
   78    HG3  ARG   9           HG3      ARG   9   4.177  -6.722  -1.708
   79    HD2  ARG   9           HD2      ARG   9   3.947  -8.833  -1.202
   80    HD3  ARG   9           HD3      ARG   9   4.424  -8.378   0.424
   81    HE   ARG   9           HE       ARG   9   2.049  -8.304   1.061
   82   HH11  ARG   9          HH11      ARG   9   2.472  -9.897  -2.051
   83   HH12  ARG   9          HH12      ARG   9   0.960 -10.787  -1.843
   84   HH21  ARG   9          HH22      ARG   9   0.129  -9.610   1.239
   85   HH22  ARG   9          HH21      ARG   9  -0.125 -10.690  -0.112
   86    H    MET  10           H        MET  10   6.412  -5.462   1.786
   87    HA   MET  10           HA       MET  10   6.772  -2.699   2.700
   88    HB2  MET  10           HB2      MET  10   7.368  -5.186   4.357
   89    HB3  MET  10           HB3      MET  10   8.329  -3.713   4.528
   90    HG2  MET  10           HG2      MET  10   6.358  -2.415   5.085
   91    HG3  MET  10           HG3      MET  10   5.329  -3.852   4.936
   92    HE1  MET  10           HE1      MET  10   5.504  -1.851   7.500
   93    HE2  MET  10           HE2      MET  10   4.361  -3.205   7.321
   94    HE3  MET  10           HE3      MET  10   5.353  -3.063   8.791
   95    H    PHE  11           H        PHE  11   8.554  -1.936   1.741
   96    HA   PHE  11           HA       PHE  11  10.493  -3.626   0.329
   97    HB2  PHE  11           HB2      PHE  11  10.213  -0.672   0.844
   98    HB3  PHE  11           HB3      PHE  11  11.607  -1.352   0.028
   99    HD1  PHE  11           HD1      PHE  11  11.116  -2.988  -1.986
  100    HD2  PHE  11           HD2      PHE  11   8.357   0.030  -0.556
  101    HE1  PHE  11           HE1      PHE  11  10.039  -2.902  -4.215
  102    HE2  PHE  11           HE2      PHE  11   7.336   0.121  -2.815
  103    HZ   PHE  11           HZ       PHE  11   8.176  -1.315  -4.631
  104    H    ALA  12           H        ALA  12  12.828  -3.588   0.821
  105    HA   ALA  12           HA       ALA  12  13.445  -4.191   3.491
  106    HB1  ALA  12           HB1      ALA  12  15.752  -4.338   2.645
  107    HB2  ALA  12           HB2      ALA  12  14.614  -5.074   1.505
  108    HB3  ALA  12           HB3      ALA  12  15.289  -3.459   1.173
  109    H    ASN  13           H        ASN  13  13.143  -1.040   2.198
  110    HA   ASN  13           HA       ASN  13  14.855   0.222   4.262
  111    HB2  ASN  13           HB2      ASN  13  14.318   2.308   3.041
  112    HB3  ASN  13           HB3      ASN  13  15.037   1.091   1.990
  113   HD21  ASN  13          HD21      ASN  13  14.079   2.399   0.189
  114    H    GLY  14           H        GLY  14  11.790  -1.125   4.259
  115    HA2  GLY  14           HA2      GLY  14  10.280  -0.985   6.018
  116    HA3  GLY  14           HA3      GLY  14  10.865   0.622   6.454
  117    H    THR  15           H        THR  15  10.068   0.146   3.024
  118    HA   THR  15           HA       THR  15   7.954   2.194   3.413
  119    HB   THR  15           HB       THR  15   9.294   1.219   0.887
  120    HG1  THR  15           HG1      THR  15  10.757   2.141   2.082
  121   HG21  THR  15          HG21      THR  15   7.073   2.342   0.491
  122   HG22  THR  15          HG22      THR  15   7.717   3.776   1.321
  123   HG23  THR  15          HG23      THR  15   8.468   3.192  -0.188
  124    H    VAL  16           H        VAL  16   5.823   1.729   3.299
  125    HA   VAL  16           HA       VAL  16   5.050  -1.055   2.718
  126    HB   VAL  16           HB       VAL  16   3.709   1.310   4.078
  127   HG11  VAL  16          HG11      VAL  16   1.863   0.208   2.903
  128   HG12  VAL  16          HG12      VAL  16   2.424  -1.390   3.452
  129   HG13  VAL  16          HG13      VAL  16   1.793  -0.204   4.613
  130   HG21  VAL  16          HG21      VAL  16   4.310  -1.507   5.053
  131   HG22  VAL  16          HG22      VAL  16   5.380  -0.108   5.344
  132   HG23  VAL  16          HG23      VAL  16   3.747  -0.137   6.031
  133    H    TYR  17           H        TYR  17   3.692  -1.691   1.160
  134    HA   TYR  17           HA       TYR  17   2.221   0.197  -0.520
  135    HB2  TYR  17           HB2      TYR  17   3.215  -0.633  -2.611
  136    HB3  TYR  17           HB3      TYR  17   4.442   0.103  -1.611
  137    HD1  TYR  17           HD2      TYR  17   6.082  -1.236  -0.367
  138    HD2  TYR  17           HD1      TYR  17   3.415  -3.064  -3.240
  139    HE1  TYR  17           HE2      TYR  17   7.610  -3.148  -0.548
  140    HE2  TYR  17           HE1      TYR  17   4.956  -5.010  -3.401
  141    HH   TYR  17           HH       TYR  17   8.020  -5.161  -1.588
  142    H    TYR  18           H        TYR  18   0.878  -1.194  -2.146
  143    HA   TYR  18           HA       TYR  18   0.342  -3.924  -1.089
  144    HB2  TYR  18           HB2      TYR  18  -1.448  -1.913  -2.479
  145    HB3  TYR  18           HB3      TYR  18  -1.870  -3.614  -2.263
  146    HD1  TYR  18           HD2      TYR  18  -0.612  -0.690  -0.249
  147    HD2  TYR  18           HD1      TYR  18  -3.110  -4.196  -0.340
  148    HE1  TYR  18           HE2      TYR  18  -1.065  -0.368   2.067
  149    HE2  TYR  18           HE1      TYR  18  -3.800  -3.753   1.982
  150    HH   TYR  18           HH       TYR  18  -3.332  -2.531   3.912
  151    H    PHE  19           H        PHE  19   0.225  -5.632  -2.371
  152    HA   PHE  19           HA       PHE  19   1.332  -5.411  -5.134
  153    HB2  PHE  19           HB2      PHE  19   2.954  -5.999  -3.413
  154    HB3  PHE  19           HB3      PHE  19   1.940  -7.349  -2.893
  155    HD1  PHE  19           HD1      PHE  19   1.668  -9.349  -4.337
  156    HD2  PHE  19           HD2      PHE  19   4.415  -6.186  -5.325
  157    HE1  PHE  19           HE1      PHE  19   2.949 -10.907  -5.816
  158    HE2  PHE  19           HE2      PHE  19   5.654  -7.703  -6.803
  159    HZ   PHE  19           HZ       PHE  19   4.923 -10.088  -7.053
  160    H    ASN  20           H        ASN  20   0.069  -6.340  -6.601
  161    HA   ASN  20           HA       ASN  20  -2.201  -8.017  -5.904
  162    HB2  ASN  20           HB2      ASN  20  -2.226  -6.340  -7.761
  163    HB3  ASN  20           HB3      ASN  20  -1.037  -7.311  -8.607
  164   HD21  ASN  20          HD22      ASN  20  -4.421  -7.165  -7.510
  165   HD22  ASN  20          HD21      ASN  20  -4.929  -8.597  -8.370
  166    H    HIS  21           H        HIS  21  -1.324  -9.863  -4.877
  167    HA   HIS  21           HA       HIS  21   0.734 -11.411  -6.261
  168    HB2  HIS  21           HB2      HIS  21   0.457 -13.072  -4.448
  169    HB3  HIS  21           HB3      HIS  21   0.913 -11.464  -3.961
  170    HD2  HIS  21           HD2      HIS  21  -2.693 -12.883  -4.449
  171    HE1  HIS  21           HE1      HIS  21  -2.266 -11.726  -0.378
  172    HE2  HIS  21           HE2      HIS  21  -3.879 -12.634  -2.113
  173    H    ILE  22           H        ILE  22  -1.725 -10.928  -7.797
  174    HA   ILE  22           HA       ILE  22  -2.136 -13.746  -8.678
  175    HB   ILE  22           HB       ILE  22  -3.995 -11.377  -9.126
  176   HG12  ILE  22          HG12      ILE  22  -4.338 -13.742  -7.229
  177   HG13  ILE  22          HG13      ILE  22  -4.004 -12.083  -6.739
  178   HG21  ILE  22          HG21      ILE  22  -4.326 -14.335  -9.780
  179   HG22  ILE  22          HG22      ILE  22  -5.563 -13.079 -10.019
  180   HG23  ILE  22          HG23      ILE  22  -4.087 -13.023 -10.953
  181   HD11  ILE  22          HD11      ILE  22  -6.560 -13.078  -8.018
  182   HD12  ILE  22          HD12      ILE  22  -6.313 -12.439  -6.390
  183   HD13  ILE  22          HD13      ILE  22  -6.161 -11.354  -7.786
  184    H    THR  23           H        THR  23  -0.889 -10.568  -9.399
  185    HA   THR  23           HA       THR  23  -0.184 -11.394 -12.192
  186    HB   THR  23           HB       THR  23  -0.472  -9.023 -12.833
  187    HG1  THR  23           HG1      THR  23  -1.730  -8.754 -10.316
  188   HG21  THR  23          HG21      THR  23  -2.378 -10.556 -13.191
  189   HG22  THR  23          HG22      THR  23  -3.017 -10.154 -11.586
  190   HG23  THR  23          HG23      THR  23  -2.904  -8.899 -12.837
  191    H    ASN  24           H        ASN  24   0.938  -9.934  -9.202
  192    HA   ASN  24           HA       ASN  24   2.880  -9.306  -8.453
  193    HB2  ASN  24           HB2      ASN  24   4.209  -9.461 -11.174
  194    HB3  ASN  24           HB3      ASN  24   4.978  -9.354  -9.604
  195   HD21  ASN  24          HD22      ASN  24   3.293 -11.467 -11.821
  196   HD22  ASN  24          HD21      ASN  24   3.790 -12.968 -11.011
  197    H    ALA  25           H        ALA  25   0.789  -7.515 -10.177
  198    HA   ALA  25           HA       ALA  25   2.355  -5.118 -10.609
  199    HB1  ALA  25           HB1      ALA  25   0.175  -4.027 -10.740
  200    HB2  ALA  25           HB2      ALA  25   0.127  -5.558 -11.632
  201    HB3  ALA  25           HB3      ALA  25  -0.621  -5.443 -10.024
  202    H    SER  26           H        SER  26   2.456  -3.176  -9.211
  203    HA   SER  26           HA       SER  26   1.721  -3.550  -6.363
  204    HB2  SER  26           HB2      SER  26   3.974  -2.867  -5.650
  205    HB3  SER  26           HB3      SER  26   4.023  -4.397  -6.534
  206    HG   SER  26           HG       SER  26   4.352  -1.921  -7.865
  207    H    GLN  27           H        GLN  27   1.184  -1.660  -5.295
  208    HA   GLN  27           HA       GLN  27   2.126   0.907  -6.330
  209    HB2  GLN  27           HB2      GLN  27   0.079   0.401  -7.680
  210    HB3  GLN  27           HB3      GLN  27  -0.862   0.278  -6.196
  211    HG2  GLN  27           HG2      GLN  27  -1.144   2.434  -7.420
  212    HG3  GLN  27           HG3      GLN  27  -0.594   2.655  -5.769
  213   HE21  GLN  27          HE22      GLN  27   0.376   2.964  -9.219
  214   HE22  GLN  27          HE21      GLN  27   1.845   3.831  -8.801
  215    H    PHE  28           H        PHE  28   1.840   2.650  -4.832
  216    HA   PHE  28           HA       PHE  28   2.030   1.828  -2.063
  217    HB2  PHE  28           HB2      PHE  28   2.026   4.558  -3.402
  218    HB3  PHE  28           HB3      PHE  28   2.430   4.254  -1.713
  219    HD1  PHE  28           HD1      PHE  28   4.304   2.529  -1.219
  220    HD2  PHE  28           HD2      PHE  28   3.791   4.479  -5.029
  221    HE1  PHE  28           HE1      PHE  28   6.658   2.038  -1.783
  222    HE2  PHE  28           HE2      PHE  28   6.158   3.993  -5.589
  223    HZ   PHE  28           HZ       PHE  28   7.605   2.782  -3.966
  224    H    GLU  29           H        GLU  29  -0.725   2.561  -3.927
  225    HA   GLU  29           HA       GLU  29  -2.311   3.909  -1.943
  226    HB2  GLU  29           HB2      GLU  29  -2.913   4.108  -4.254
  227    HB3  GLU  29           HB3      GLU  29  -2.946   2.365  -4.472
  228    HG2  GLU  29           HG2      GLU  29  -5.178   3.274  -4.526
  229    HG3  GLU  29           HG3      GLU  29  -4.986   2.163  -3.174
  230    H    ARG  30           H        ARG  30  -4.024   3.068  -0.740
  231    HA   ARG  30           HA       ARG  30  -3.829   0.239   0.086
  232    HB2  ARG  30           HB2      ARG  30  -3.580   0.697   2.367
  233    HB3  ARG  30           HB3      ARG  30  -2.342   1.591   1.527
  234    HG2  ARG  30           HG2      ARG  30  -4.891   2.818   2.673
  235    HG3  ARG  30           HG3      ARG  30  -3.349   2.675   3.498
  236    HD2  ARG  30           HD2      ARG  30  -3.160   4.833   2.795
  237    HD3  ARG  30           HD3      ARG  30  -2.351   4.001   1.470
  238    HE   ARG  30           HE       ARG  30  -4.060   4.743   0.014
  239   HH11  ARG  30          HH11      ARG  30  -5.302   5.274   3.236
  240   HH12  ARG  30          HH12      ARG  30  -6.895   5.679   2.597
  241   HH21  ARG  30          HH21      ARG  30  -5.808   5.339  -0.695
  242   HH22  ARG  30          HH22      ARG  30  -7.121   6.044   0.297
  243    HA   PRO  31           HA       PRO  31  -8.026  -0.122  -0.060
  244    HB2  PRO  31           HB2      PRO  31  -8.347  -1.009   2.788
  245    HB3  PRO  31           HB3      PRO  31  -8.892  -1.816   1.288
  246    HG2  PRO  31           HG2      PRO  31  -6.664  -2.652   2.607
  247    HG3  PRO  31           HG3      PRO  31  -6.702  -2.592   0.820
  248    HD2  PRO  31           HD2      PRO  31  -5.466  -0.623   2.738
  249    HD3  PRO  31           HD3      PRO  31  -4.836  -1.253   1.189
  250    H    SER  32           H        SER  32  -7.532   1.175   2.936
  251    HA   SER  32           HA       SER  32 -10.105   2.241   3.552
  252    HB2  SER  32           HB2      SER  32  -9.085   3.223   5.521
  253    HB3  SER  32           HB3      SER  32  -8.416   1.601   5.245
  254    HG   SER  32           HG       SER  32  -7.303   4.031   4.359
  255    H    GLY  33           H        GLY  33 -10.614   3.439   1.569
  256    HA2  GLY  33           HA2      GLY  33 -11.460   5.598   1.043
  257    HA3  GLY  33           HA3      GLY  33 -10.184   6.354   2.012
  258    H1   NAG 101           H1       NAG  34  11.404   1.216  -0.331
  259    H2   NAG 101           H2       NAG  34  12.549   3.628  -1.826
  260    H3   NAG 101           H3       NAG  34   9.966   1.982  -1.973
  261    H4   NAG 101           H4       NAG  34  12.249   2.471  -3.927
  262    H5   NAG 101           H5       NAG  34  11.375  -0.051  -2.475
  263    H61  NAG 101           H61      NAG  34  13.233  -1.198  -3.369
  264    H62  NAG 101           H62      NAG  34  12.554  -0.351  -4.763
  265    H81  NAG 101           H2M      NAG  34  10.853   5.940   1.403
  266    H82  NAG 101           H3M      NAG  34   9.227   5.841   0.689
  267    H83  NAG 101           H1M      NAG  34  10.313   7.177   0.247
  268    HN2  NAG 101           H2N      NAG  34  10.810   3.619   0.508
  269    HO3  NAG 101           H3O      NAG  34  10.385   4.578  -2.713
  270    HO4  NAG 101           H4O      NAG  34   9.995   2.196  -4.589
  271    HO6  NAG 101           H6O      NAG  34  14.569   0.753  -3.076
  Start of MODEL   12
    1    H1   LYS   1           H1       LYS   1  -8.372   4.210  -2.671
    2    H2   LYS   1           H2       LYS   1  -7.174   3.933  -3.769
    3    H3   LYS   1           H3       LYS   1  -7.168   3.148  -2.344
    4    HA   LYS   1           HA       LYS   1  -9.160   1.964  -2.867
    5    HB2  LYS   1           HB2      LYS   1 -10.481   2.272  -4.648
    6    HB3  LYS   1           HB3      LYS   1  -9.992   3.929  -4.381
    7    HG2  LYS   1           HG2      LYS   1  -8.769   2.074  -6.500
    8    HG3  LYS   1           HG3      LYS   1 -10.144   3.094  -6.775
    9    HD2  LYS   1           HD2      LYS   1  -8.962   4.933  -7.119
   10    HD3  LYS   1           HD3      LYS   1  -7.898   4.694  -5.753
   11    HE2  LYS   1           HE2      LYS   1  -7.597   2.979  -8.246
   12    HE3  LYS   1           HE3      LYS   1  -6.962   4.633  -8.231
   13    HZ1  LYS   1           HZ1      LYS   1  -5.322   2.836  -7.461
   14    HZ2  LYS   1           HZ2      LYS   1  -5.518   4.146  -6.477
   15    HZ3  LYS   1           HZ3      LYS   1  -6.229   2.723  -6.106
   16    H    LEU   2           H        LEU   2  -9.096  -0.130  -3.741
   17    HA   LEU   2           HA       LEU   2  -7.520  -0.820  -5.958
   18    HB2  LEU   2           HB2      LEU   2  -6.034  -2.474  -4.858
   19    HB3  LEU   2           HB3      LEU   2  -5.620  -0.806  -4.598
   20    HG   LEU   2           HG       LEU   2  -6.622  -0.979  -2.245
   21   HD11  LEU   2          HD11      LEU   2  -6.853  -3.893  -3.075
   22   HD12  LEU   2          HD12      LEU   2  -6.568  -3.440  -1.397
   23   HD13  LEU   2          HD13      LEU   2  -8.032  -2.890  -2.215
   24   HD21  LEU   2          HD21      LEU   2  -4.695  -1.998  -1.387
   25   HD22  LEU   2          HD22      LEU   2  -4.349  -2.828  -2.918
   26   HD23  LEU   2          HD23      LEU   2  -4.231  -1.053  -2.797
   27    HA   PRO   3           HA       PRO   3 -10.622  -4.036  -5.508
   28    HB2  PRO   3           HB2      PRO   3 -10.101  -5.635  -7.633
   29    HB3  PRO   3           HB3      PRO   3 -10.564  -3.920  -7.850
   30    HG2  PRO   3           HG2      PRO   3  -7.801  -5.137  -7.859
   31    HG3  PRO   3           HG3      PRO   3  -8.500  -4.000  -9.050
   32    HD2  PRO   3           HD2      PRO   3  -6.901  -3.200  -6.926
   33    HD3  PRO   3           HD3      PRO   3  -8.171  -2.170  -7.650
   34    HA   PRO   4           HA       PRO   4  -9.243  -7.758  -3.370
   35    HB2  PRO   4           HB2      PRO   4 -10.637  -9.284  -5.582
   36    HB3  PRO   4           HB3      PRO   4 -10.663  -9.593  -3.815
   37    HG2  PRO   4           HG2      PRO   4 -12.728  -8.296  -4.976
   38    HG3  PRO   4           HG3      PRO   4 -12.053  -7.675  -3.433
   39    HD2  PRO   4           HD2      PRO   4 -11.547  -6.689  -6.242
   40    HD3  PRO   4           HD3      PRO   4 -11.839  -5.746  -4.750
   41    H    GLY   5           H        GLY   5  -7.479  -9.084  -3.356
   42    HA2  GLY   5           HA2      GLY   5  -5.887 -10.572  -4.288
   43    HA3  GLY   5           HA3      GLY   5  -6.161  -9.882  -5.889
   44    H    TRP   6           H        TRP   6  -5.906  -7.059  -4.354
   45    HA   TRP   6           HA       TRP   6  -2.968  -6.885  -4.438
   46    HB2  TRP   6           HB2      TRP   6  -5.159  -4.817  -4.154
   47    HB3  TRP   6           HB3      TRP   6  -3.438  -4.493  -4.241
   48    HD1  TRP   6           HD1      TRP   6  -6.170  -6.125  -6.438
   49    HE1  TRP   6           HE1      TRP   6  -5.748  -5.520  -8.899
   50    HE3  TRP   6           HE3      TRP   6  -1.767  -3.531  -5.921
   51    HZ2  TRP   6           HZ2      TRP   6  -3.785  -4.126 -10.444
   52    HZ3  TRP   6           HZ3      TRP   6  -0.677  -2.564  -7.932
   53    HH2  TRP   6           HH2      TRP   6  -1.661  -2.842 -10.172
   54    H    GLU   7           H        GLU   7  -1.905  -7.346  -2.580
   55    HA   GLU   7           HA       GLU   7  -3.346  -7.157   0.015
   56    HB2  GLU   7           HB2      GLU   7  -2.697  -9.350  -1.317
   57    HB3  GLU   7           HB3      GLU   7  -1.080  -9.039  -0.723
   58    HG2  GLU   7           HG2      GLU   7  -3.607  -9.478   0.930
   59    HG3  GLU   7           HG3      GLU   7  -2.337 -10.670   0.636
   60    H    LYS   8           H        LYS   8  -2.156  -6.461   1.878
   61    HA   LYS   8           HA       LYS   8  -0.428  -4.239   1.157
   62    HB2  LYS   8           HB2      LYS   8  -0.705  -3.289   3.136
   63    HB3  LYS   8           HB3      LYS   8  -2.205  -4.177   3.009
   64    HG2  LYS   8           HG2      LYS   8   0.151  -5.174   4.671
   65    HG3  LYS   8           HG3      LYS   8  -0.998  -4.009   5.261
   66    HD2  LYS   8           HD2      LYS   8  -2.551  -5.504   5.737
   67    HD3  LYS   8           HD3      LYS   8  -2.474  -6.265   4.161
   68    HE2  LYS   8           HE2      LYS   8  -0.461  -6.781   6.401
   69    HE3  LYS   8           HE3      LYS   8  -1.923  -7.751   6.138
   70    HZ1  LYS   8           HZ1      LYS   8   0.218  -7.405   4.102
   71    HZ2  LYS   8           HZ2      LYS   8  -0.043  -8.775   5.009
   72    HZ3  LYS   8           HZ3      LYS   8  -1.145  -8.237   3.902
   73    H    ARG   9           H        ARG   9   1.679  -4.022   1.119
   74    HA   ARG   9           HA       ARG   9   3.438  -6.221   2.058
   75    HB2  ARG   9           HB2      ARG   9   2.477  -5.996  -0.440
   76    HB3  ARG   9           HB3      ARG   9   3.584  -4.651  -0.532
   77    HG2  ARG   9           HG2      ARG   9   4.774  -6.278  -1.445
   78    HG3  ARG   9           HG3      ARG   9   5.396  -6.435   0.193
   79    HD2  ARG   9           HD2      ARG   9   3.354  -8.181  -1.276
   80    HD3  ARG   9           HD3      ARG   9   4.993  -8.620  -0.847
   81    HE   ARG   9           HE       ARG   9   4.360  -8.991   1.384
   82   HH11  ARG   9          HH22      ARG   9   1.379  -7.826  -0.314
   83   HH12  ARG   9          HH21      ARG   9   0.463  -8.759   0.874
   84   HH21  ARG   9          HH11      ARG   9   2.804 -10.063   2.733
   85   HH22  ARG   9          HH12      ARG   9   1.101  -9.752   2.313
   86    H    MET  10           H        MET  10   5.850  -5.441   1.854
   87    HA   MET  10           HA       MET  10   6.243  -2.581   2.036
   88    HB2  MET  10           HB2      MET  10   7.185  -2.510   4.230
   89    HB3  MET  10           HB3      MET  10   5.541  -3.134   4.343
   90    HG2  MET  10           HG2      MET  10   6.434  -5.445   4.511
   91    HG3  MET  10           HG3      MET  10   8.080  -4.807   4.475
   92    HE1  MET  10           HE1      MET  10   9.220  -3.445   6.327
   93    HE2  MET  10           HE2      MET  10   7.959  -2.188   6.365
   94    HE3  MET  10           HE3      MET  10   8.466  -2.980   7.869
   95    H    PHE  11           H        PHE  11   8.240  -1.926   1.571
   96    HA   PHE  11           HA       PHE  11  10.197  -3.822   0.494
   97    HB2  PHE  11           HB2      PHE  11  10.029  -0.821   0.734
   98    HB3  PHE  11           HB3      PHE  11  11.428  -1.644   0.065
   99    HD1  PHE  11           HD1      PHE  11  10.981  -3.395  -1.830
  100    HD2  PHE  11           HD2      PHE  11   8.239  -0.190  -0.811
  101    HE1  PHE  11           HE1      PHE  11  10.006  -3.495  -4.104
  102    HE2  PHE  11           HE2      PHE  11   7.317  -0.305  -3.110
  103    HZ   PHE  11           HZ       PHE  11   8.199  -1.923  -4.747
  104    H    ALA  12           H        ALA  12  12.432  -3.930   1.218
  105    HA   ALA  12           HA       ALA  12  12.775  -4.231   3.986
  106    HB1  ALA  12           HB1      ALA  12  14.017  -5.457   2.244
  107    HB2  ALA  12           HB2      ALA  12  14.858  -3.958   1.775
  108    HB3  ALA  12           HB3      ALA  12  15.122  -4.666   3.382
  109    H    ASN  13           H        ASN  13  12.985  -1.272   2.213
  110    HA   ASN  13           HA       ASN  13  14.613   0.120   4.239
  111    HB2  ASN  13           HB2      ASN  13  14.253   2.081   2.786
  112    HB3  ASN  13           HB3      ASN  13  14.904   0.714   1.886
  113   HD21  ASN  13          HD21      ASN  13  14.069   1.978  -0.034
  114    H    GLY  14           H        GLY  14  11.454  -1.020   4.252
  115    HA2  GLY  14           HA2      GLY  14   9.934  -0.602   5.970
  116    HA3  GLY  14           HA3      GLY  14  10.596   1.013   6.224
  117    H    THR  15           H        THR  15   9.875   0.198   2.849
  118    HA   THR  15           HA       THR  15   7.860   2.374   2.944
  119    HB   THR  15           HB       THR  15   9.194   1.104   0.558
  120    HG1  THR  15           HG1      THR  15  10.707   2.003   1.728
  121   HG21  THR  15          HG21      THR  15   7.062   2.373   0.066
  122   HG22  THR  15          HG22      THR  15   7.831   3.806   0.779
  123   HG23  THR  15          HG23      THR  15   8.527   3.042  -0.673
  124    H    VAL  16           H        VAL  16   5.739   1.917   2.994
  125    HA   VAL  16           HA       VAL  16   4.870  -0.847   2.452
  126    HB   VAL  16           HB       VAL  16   3.756   1.510   3.973
  127   HG11  VAL  16          HG11      VAL  16   2.125  -0.955   3.203
  128   HG12  VAL  16          HG12      VAL  16   1.691   0.218   4.464
  129   HG13  VAL  16          HG13      VAL  16   1.755   0.737   2.781
  130   HG21  VAL  16          HG21      VAL  16   3.698  -0.124   5.783
  131   HG22  VAL  16          HG22      VAL  16   4.066  -1.444   4.653
  132   HG23  VAL  16          HG23      VAL  16   5.295  -0.204   5.019
  133    H    TYR  17           H        TYR  17   3.364  -1.461   1.051
  134    HA   TYR  17           HA       TYR  17   1.997   0.359  -0.769
  135    HB2  TYR  17           HB2      TYR  17   3.061  -0.517  -2.780
  136    HB3  TYR  17           HB3      TYR  17   4.287   0.181  -1.741
  137    HD1  TYR  17           HD1      TYR  17   5.802  -1.218  -0.398
  138    HD2  TYR  17           HD2      TYR  17   3.211  -2.904  -3.396
  139    HE1  TYR  17           HE1      TYR  17   7.318  -3.149  -0.606
  140    HE2  TYR  17           HE2      TYR  17   4.774  -4.834  -3.644
  141    HH   TYR  17           HH       TYR  17   7.856  -4.988  -1.880
  142    H    TYR  18           H        TYR  18   0.771  -1.159  -2.432
  143    HA   TYR  18           HA       TYR  18   0.055  -3.760  -1.151
  144    HB2  TYR  18           HB2      TYR  18  -1.597  -1.846  -2.826
  145    HB3  TYR  18           HB3      TYR  18  -2.092  -3.485  -2.382
  146    HD1  TYR  18           HD1      TYR  18  -0.887  -0.257  -0.839
  147    HD2  TYR  18           HD2      TYR  18  -3.239  -3.845  -0.337
  148    HE1  TYR  18           HE1      TYR  18  -1.246   0.311   1.460
  149    HE2  TYR  18           HE2      TYR  18  -4.001  -3.014   1.854
  150    HH   TYR  18           HH       TYR  18  -3.604  -1.460   3.551
  151    H    PHE  19           H        PHE  19   0.059  -5.577  -2.294
  152    HA   PHE  19           HA       PHE  19   1.347  -5.505  -4.989
  153    HB2  PHE  19           HB2      PHE  19   2.837  -6.034  -3.112
  154    HB3  PHE  19           HB3      PHE  19   1.748  -7.297  -2.572
  155    HD1  PHE  19           HD1      PHE  19   3.944  -6.248  -5.413
  156    HD2  PHE  19           HD2      PHE  19   1.888  -9.518  -3.488
  157    HE1  PHE  19           HE1      PHE  19   5.213  -7.838  -6.786
  158    HE2  PHE  19           HE2      PHE  19   3.171 -11.131  -4.873
  159    HZ   PHE  19           HZ       PHE  19   4.860 -10.306  -6.499
  160    H    ASN  20           H        ASN  20   0.196  -6.439  -6.550
  161    HA   ASN  20           HA       ASN  20  -2.119  -8.107  -6.009
  162    HB2  ASN  20           HB2      ASN  20  -2.002  -6.468  -7.903
  163    HB3  ASN  20           HB3      ASN  20  -0.744  -7.452  -8.628
  164   HD21  ASN  20          HD22      ASN  20  -4.214  -7.276  -7.875
  165   HD22  ASN  20          HD21      ASN  20  -4.608  -8.750  -8.755
  166    H    HIS  21           H        HIS  21  -1.524 -10.056  -5.038
  167    HA   HIS  21           HA       HIS  21   0.884 -11.433  -5.855
  168    HB2  HIS  21           HB2      HIS  21   0.248 -13.114  -4.251
  169    HB3  HIS  21           HB3      HIS  21   0.010 -11.511  -3.578
  170    HD2  HIS  21           HD2      HIS  21  -2.124 -14.381  -5.137
  171    HE1  HIS  21           HE1      HIS  21  -4.621 -12.149  -2.491
  172    HE2  HIS  21           HE2      HIS  21  -4.508 -14.197  -4.020
  173    H    ILE  22           H        ILE  22  -1.792 -11.177  -7.752
  174    HA   ILE  22           HA       ILE  22  -1.668 -13.966  -8.775
  175    HB   ILE  22           HB       ILE  22  -3.567 -11.702  -9.534
  176   HG12  ILE  22          HG12      ILE  22  -5.231 -13.394  -8.330
  177   HG13  ILE  22          HG13      ILE  22  -3.799 -13.892  -7.444
  178   HG21  ILE  22          HG21      ILE  22  -3.607 -14.681 -10.170
  179   HG22  ILE  22          HG22      ILE  22  -4.913 -13.533 -10.546
  180   HG23  ILE  22          HG23      ILE  22  -3.351 -13.353 -11.324
  181   HD11  ILE  22          HD11      ILE  22  -3.580 -11.587  -6.534
  182   HD12  ILE  22          HD12      ILE  22  -4.889 -11.037  -7.605
  183   HD13  ILE  22          HD13      ILE  22  -5.220 -12.186  -6.294
  184    H    THR  23           H        THR  23  -0.604 -10.712  -9.438
  185    HA   THR  23           HA       THR  23   0.441 -11.530 -12.140
  186    HB   THR  23           HB       THR  23   0.064  -9.201 -12.845
  187    HG1  THR  23           HG1      THR  23  -1.367  -8.947 -10.415
  188   HG21  THR  23          HG21      THR  23  -2.504 -10.420 -11.735
  189   HG22  THR  23          HG22      THR  23  -2.361  -9.210 -13.026
  190   HG23  THR  23          HG23      THR  23  -1.739 -10.852 -13.278
  191    H    ASN  24           H        ASN  24   1.238 -10.023  -9.090
  192    HA   ASN  24           HA       ASN  24   3.089  -9.296  -8.187
  193    HB2  ASN  24           HB2      ASN  24   4.649  -9.426 -10.785
  194    HB3  ASN  24           HB3      ASN  24   5.276  -9.277  -9.156
  195   HD21  ASN  24          HD22      ASN  24   3.808 -11.472 -11.466
  196   HD22  ASN  24          HD21      ASN  24   4.315 -12.947 -10.610
  197    H    ALA  25           H        ALA  25   1.101  -7.663 -10.184
  198    HA   ALA  25           HA       ALA  25   2.545  -5.198 -10.566
  199    HB1  ALA  25           HB1      ALA  25   0.314  -4.253 -10.913
  200    HB2  ALA  25           HB2      ALA  25   0.447  -5.808 -11.757
  201    HB3  ALA  25           HB3      ALA  25  -0.445  -5.702 -10.223
  202    H    SER  26           H        SER  26   2.269  -3.147  -9.283
  203    HA   SER  26           HA       SER  26   1.492  -3.566  -6.472
  204    HB2  SER  26           HB2      SER  26   3.631  -2.756  -5.663
  205    HB3  SER  26           HB3      SER  26   3.851  -4.197  -6.655
  206    HG   SER  26           HG       SER  26   5.360  -2.592  -7.207
  207    H    GLN  27           H        GLN  27   1.034  -1.726  -5.286
  208    HA   GLN  27           HA       GLN  27   0.922   0.904  -6.682
  209    HB2  GLN  27           HB2      GLN  27  -1.219  -0.344  -7.099
  210    HB3  GLN  27           HB3      GLN  27  -1.446  -0.501  -5.352
  211    HG2  GLN  27           HG2      GLN  27  -1.401   2.045  -5.242
  212    HG3  GLN  27           HG3      GLN  27  -1.415   2.064  -7.002
  213   HE21  GLN  27          HE22      GLN  27  -3.304   1.283  -4.054
  214   HE22  GLN  27          HE21      GLN  27  -4.862   1.272  -4.898
  215    H    PHE  28           H        PHE  28   1.906   2.361  -5.276
  216    HA   PHE  28           HA       PHE  28   2.266   1.864  -2.472
  217    HB2  PHE  28           HB2      PHE  28   2.475   4.388  -4.155
  218    HB3  PHE  28           HB3      PHE  28   2.884   4.315  -2.446
  219    HD1  PHE  28           HD2      PHE  28   4.605   2.571  -1.663
  220    HD2  PHE  28           HD1      PHE  28   4.176   3.829  -5.768
  221    HE1  PHE  28           HE2      PHE  28   6.893   1.764  -2.154
  222    HE2  PHE  28           HE1      PHE  28   6.474   3.034  -6.248
  223    HZ   PHE  28           HZ       PHE  28   7.841   2.007  -4.442
  224    H    GLU  29           H        GLU  29  -0.236   3.623  -4.255
  225    HA   GLU  29           HA       GLU  29  -1.561   4.869  -2.074
  226    HB2  GLU  29           HB2      GLU  29  -1.768   5.289  -4.585
  227    HB3  GLU  29           HB3      GLU  29  -2.720   3.815  -4.667
  228    HG2  GLU  29           HG2      GLU  29  -4.090   5.166  -2.712
  229    HG3  GLU  29           HG3      GLU  29  -3.446   6.520  -3.642
  230    H    ARG  30           H        ARG  30  -3.264   4.201  -0.779
  231    HA   ARG  30           HA       ARG  30  -3.477   1.288  -0.410
  232    HB2  ARG  30           HB2      ARG  30  -4.131   3.282   1.745
  233    HB3  ARG  30           HB3      ARG  30  -3.575   1.604   1.839
  234    HG2  ARG  30           HG2      ARG  30  -1.344   2.486   0.833
  235    HG3  ARG  30           HG3      ARG  30  -1.934   4.078   1.308
  236    HD2  ARG  30           HD2      ARG  30  -1.418   1.683   3.137
  237    HD3  ARG  30           HD3      ARG  30  -0.472   3.158   3.029
  238    HE   ARG  30           HE       ARG  30  -2.120   4.344   4.217
  239   HH11  ARG  30          HH21      ARG  30  -3.203   0.946   3.895
  240   HH12  ARG  30          HH22      ARG  30  -4.661   1.304   4.794
  241   HH21  ARG  30          HH12      ARG  30  -3.877   4.536   5.652
  242   HH22  ARG  30          HH11      ARG  30  -4.846   3.085   5.923
  243    HA   PRO  31           HA       PRO  31  -7.636   0.700  -1.215
  244    HB2  PRO  31           HB2      PRO  31  -8.383  -0.027   1.596
  245    HB3  PRO  31           HB3      PRO  31  -8.641  -0.957   0.092
  246    HG2  PRO  31           HG2      PRO  31  -6.656  -1.564   1.888
  247    HG3  PRO  31           HG3      PRO  31  -6.441  -1.776   0.132
  248    HD2  PRO  31           HD2      PRO  31  -5.395   0.383   1.909
  249    HD3  PRO  31           HD3      PRO  31  -4.660  -0.351   0.447
  250    H    SER  32           H        SER  32  -7.336   2.253   1.627
  251    HA   SER  32           HA       SER  32  -8.198   4.715   1.813
  252    HB2  SER  32           HB2      SER  32 -10.863   3.252   1.798
  253    HB3  SER  32           HB3      SER  32 -10.611   4.951   2.246
  254    HG   SER  32           HG       SER  32 -10.005   3.726  -0.228
  255    H    GLY  33           H        GLY  33  -8.440   1.595   3.299
  256    HA2  GLY  33           HA2      GLY  33  -8.432   2.760   6.041
  257    HA3  GLY  33           HA3      GLY  33  -8.829   1.080   5.629
  258    H1   NAG 101           H1       NAG  34  11.355   0.890  -0.559
  259    H2   NAG 101           H2       NAG  34  12.678   3.105  -2.206
  260    H3   NAG 101           H3       NAG  34  10.016   1.584  -2.285
  261    H4   NAG 101           H4       NAG  34  12.360   1.818  -4.215
  262    H5   NAG 101           H5       NAG  34  11.339  -0.548  -2.608
  263    H61  NAG 101           H61      NAG  34  13.209  -1.815  -3.337
  264    H62  NAG 101           H62      NAG  34  12.564  -1.085  -4.810
  265    H81  NAG 101           H2M      NAG  34  11.003   5.746   0.777
  266    H82  NAG 101           H3M      NAG  34   9.420   5.754  -0.034
  267    H83  NAG 101           H1M      NAG  34  10.659   6.944  -0.489
  268    HN2  NAG 101           H2N      NAG  34  10.888   3.398   0.069
  269    HO3  NAG 101           H3O      NAG  34  10.580   4.091  -3.227
  270    HO4  NAG 101           H4O      NAG  34  10.123   1.602  -4.918
  271    HO6  NAG 101           H6O      NAG  34  14.595   0.101  -3.197
  Start of MODEL   13
    1    H1   LYS   1           H1       LYS   1 -12.591  -0.760  -1.235
    2    H2   LYS   1           H2       LYS   1 -11.308  -1.441  -0.615
    3    H3   LYS   1           H3       LYS   1 -12.023  -2.145  -1.953
    4    HA   LYS   1           HA       LYS   1 -11.511  -0.056  -3.194
    5    HB2  LYS   1           HB2      LYS   1 -11.137   1.311  -1.153
    6    HB3  LYS   1           HB3      LYS   1  -9.646   0.413  -0.839
    7    HG2  LYS   1           HG2      LYS   1  -8.752   1.217  -3.064
    8    HG3  LYS   1           HG3      LYS   1 -10.244   2.162  -3.277
    9    HD2  LYS   1           HD2      LYS   1  -9.739   3.364  -1.153
   10    HD3  LYS   1           HD3      LYS   1  -8.246   2.421  -0.996
   11    HE2  LYS   1           HE2      LYS   1  -7.483   3.388  -3.193
   12    HE3  LYS   1           HE3      LYS   1  -8.899   4.457  -3.154
   13    HZ1  LYS   1           HZ1      LYS   1  -8.064   5.285  -0.973
   14    HZ2  LYS   1           HZ2      LYS   1  -6.770   4.303  -1.089
   15    HZ3  LYS   1           HZ3      LYS   1  -6.887   5.511  -2.156
   16    H    LEU   2           H        LEU   2  -8.968  -1.874  -1.271
   17    HA   LEU   2           HA       LEU   2  -7.303  -2.415  -3.496
   18    HB2  LEU   2           HB2      LEU   2  -7.836  -3.932  -0.923
   19    HB3  LEU   2           HB3      LEU   2  -6.612  -4.396  -2.082
   20    HG   LEU   2           HG       LEU   2  -6.644  -1.805  -0.491
   21   HD11  LEU   2          HD11      LEU   2  -4.804  -4.231  -0.401
   22   HD12  LEU   2          HD12      LEU   2  -4.700  -2.777   0.619
   23   HD13  LEU   2          HD13      LEU   2  -6.084  -3.866   0.771
   24   HD21  LEU   2          HD21      LEU   2  -4.587  -2.800  -2.507
   25   HD22  LEU   2          HD22      LEU   2  -5.586  -1.337  -2.655
   26   HD23  LEU   2          HD23      LEU   2  -4.361  -1.437  -1.393
   27    HA   PRO   3           HA       PRO   3 -10.209  -5.186  -5.604
   28    HB2  PRO   3           HB2      PRO   3  -7.908  -5.716  -7.444
   29    HB3  PRO   3           HB3      PRO   3  -9.560  -5.174  -7.829
   30    HG2  PRO   3           HG2      PRO   3  -7.436  -3.461  -7.930
   31    HG3  PRO   3           HG3      PRO   3  -9.058  -2.936  -7.375
   32    HD2  PRO   3           HD2      PRO   3  -6.649  -3.648  -5.701
   33    HD3  PRO   3           HD3      PRO   3  -7.818  -2.315  -5.524
   34    HA   PRO   4           HA       PRO   4  -9.301  -9.448  -4.572
   35    HB2  PRO   4           HB2      PRO   4  -9.196 -10.078  -7.531
   36    HB3  PRO   4           HB3      PRO   4  -9.988 -10.999  -6.212
   37    HG2  PRO   4           HG2      PRO   4 -11.468  -9.371  -7.778
   38    HG3  PRO   4           HG3      PRO   4 -11.711  -9.342  -5.999
   39    HD2  PRO   4           HD2      PRO   4 -10.124  -7.429  -7.715
   40    HD3  PRO   4           HD3      PRO   4 -11.253  -7.065  -6.373
   41    H    GLY   5           H        GLY   5  -7.481 -10.385  -3.878
   42    HA2  GLY   5           HA2      GLY   5  -5.391 -11.302  -3.850
   43    HA3  GLY   5           HA3      GLY   5  -5.216 -10.925  -5.564
   44    H    TRP   6           H        TRP   6  -5.926  -7.970  -3.945
   45    HA   TRP   6           HA       TRP   6  -3.098  -7.217  -3.944
   46    HB2  TRP   6           HB2      TRP   6  -5.682  -5.717  -3.585
   47    HB3  TRP   6           HB3      TRP   6  -4.106  -4.994  -3.329
   48    HD1  TRP   6           HD1      TRP   6  -6.212  -6.533  -6.131
   49    HE1  TRP   6           HE1      TRP   6  -5.492  -5.528  -8.389
   50    HE3  TRP   6           HE3      TRP   6  -2.049  -4.009  -4.592
   51    HZ2  TRP   6           HZ2      TRP   6  -3.392  -3.840  -9.388
   52    HZ3  TRP   6           HZ3      TRP   6  -0.662  -2.786  -6.240
   53    HH2  TRP   6           HH2      TRP   6  -1.327  -2.662  -8.621
   54    H    GLU   7           H        GLU   7  -1.837  -7.117  -2.204
   55    HA   GLU   7           HA       GLU   7  -2.983  -7.287   0.547
   56    HB2  GLU   7           HB2      GLU   7  -0.857  -8.527   1.073
   57    HB3  GLU   7           HB3      GLU   7  -1.970  -9.404   0.024
   58    HG2  GLU   7           HG2      GLU   7  -0.633  -9.160  -1.876
   59    HG3  GLU   7           HG3      GLU   7   0.184  -7.723  -1.259
   60    H    LYS   8           H        LYS   8  -1.632  -6.374   2.240
   61    HA   LYS   8           HA       LYS   8  -0.203  -3.889   1.549
   62    HB2  LYS   8           HB2      LYS   8  -1.803  -4.061   3.456
   63    HB3  LYS   8           HB3      LYS   8  -0.771  -5.253   4.227
   64    HG2  LYS   8           HG2      LYS   8   0.038  -2.366   3.628
   65    HG3  LYS   8           HG3      LYS   8  -0.634  -2.944   5.151
   66    HD2  LYS   8           HD2      LYS   8   1.406  -4.592   5.200
   67    HD3  LYS   8           HD3      LYS   8   2.081  -3.537   3.952
   68    HE2  LYS   8           HE2      LYS   8   2.989  -2.752   5.957
   69    HE3  LYS   8           HE3      LYS   8   1.753  -1.578   5.491
   70    HZ1  LYS   8           HZ1      LYS   8   1.617  -2.130   7.841
   71    HZ2  LYS   8           HZ2      LYS   8   0.256  -2.663   7.084
   72    HZ3  LYS   8           HZ3      LYS   8   1.434  -3.728   7.507
   73    H    ARG   9           H        ARG   9   1.940  -3.925   1.024
   74    HA   ARG   9           HA       ARG   9   3.663  -6.137   1.990
   75    HB2  ARG   9           HB2      ARG   9   2.758  -6.303  -0.343
   76    HB3  ARG   9           HB3      ARG   9   3.427  -4.717  -0.701
   77    HG2  ARG   9           HG2      ARG   9   4.783  -6.342  -1.676
   78    HG3  ARG   9           HG3      ARG   9   5.713  -5.631  -0.374
   79    HD2  ARG   9           HD2      ARG   9   6.216  -7.907  -0.196
   80    HD3  ARG   9           HD3      ARG   9   5.033  -7.638   1.073
   81    HE   ARG   9           HE       ARG   9   3.408  -8.889  -0.113
   82   HH11  ARG   9          HH11      ARG   9   6.155  -8.440  -2.239
   83   HH12  ARG   9          HH12      ARG   9   5.670  -9.742  -3.299
   84   HH21  ARG   9          HH21      ARG   9   2.847 -10.564  -1.470
   85   HH22  ARG   9          HH22      ARG   9   3.899 -10.985  -2.797
   86    H    MET  10           H        MET  10   6.101  -5.442   1.684
   87    HA   MET  10           HA       MET  10   6.586  -2.590   1.912
   88    HB2  MET  10           HB2      MET  10   7.587  -2.663   4.129
   89    HB3  MET  10           HB3      MET  10   5.892  -3.138   4.198
   90    HG2  MET  10           HG2      MET  10   6.615  -5.546   4.239
   91    HG3  MET  10           HG3      MET  10   8.291  -4.991   4.341
   92    HE1  MET  10           HE1      MET  10   8.700  -6.411   6.498
   93    HE2  MET  10           HE2      MET  10   7.643  -6.374   7.928
   94    HE3  MET  10           HE3      MET  10   7.030  -7.020   6.388
   95    H    PHE  11           H        PHE  11   8.571  -1.975   1.454
   96    HA   PHE  11           HA       PHE  11  10.570  -3.803   0.357
   97    HB2  PHE  11           HB2      PHE  11  10.460  -0.795   0.807
   98    HB3  PHE  11           HB3      PHE  11  11.783  -1.654   0.041
   99    HD1  PHE  11           HD1      PHE  11  11.332  -3.069  -2.053
  100    HD2  PHE  11           HD2      PHE  11   8.646  -0.001  -0.598
  101    HE1  PHE  11           HE1      PHE  11  10.300  -2.905  -4.296
  102    HE2  PHE  11           HE2      PHE  11   7.673   0.175  -2.877
  103    HZ   PHE  11           HZ       PHE  11   8.484  -1.262  -4.709
  104    H    ALA  12           H        ALA  12  12.372  -4.540   1.473
  105    HA   ALA  12           HA       ALA  12  12.450  -4.493   4.273
  106    HB1  ALA  12           HB1      ALA  12  13.403  -6.262   2.847
  107    HB2  ALA  12           HB2      ALA  12  14.659  -5.138   2.270
  108    HB3  ALA  12           HB3      ALA  12  14.616  -5.631   3.976
  109    H    ASN  13           H        ASN  13  14.022  -2.244   2.004
  110    HA   ASN  13           HA       ASN  13  15.607  -0.890   4.010
  111    HB2  ASN  13           HB2      ASN  13  15.920   0.762   2.139
  112    HB3  ASN  13           HB3      ASN  13  16.406  -0.885   1.769
  113   HD21  ASN  13          HD21      ASN  13  14.819   1.754   0.482
  114    H    GLY  14           H        GLY  14  12.330  -1.101   3.957
  115    HA2  GLY  14           HA2      GLY  14  11.049  -0.062   5.552
  116    HA3  GLY  14           HA3      GLY  14  12.158   1.305   5.615
  117    H    THR  15           H        THR  15   9.828  -0.192   3.180
  118    HA   THR  15           HA       THR  15   8.327   2.326   3.279
  119    HB   THR  15           HB       THR  15   9.714   1.498   0.716
  120    HG1  THR  15           HG1      THR  15  10.331   3.112   2.670
  121   HG21  THR  15          HG21      THR  15   7.659   3.708   1.156
  122   HG22  THR  15          HG22      THR  15   8.622   3.449  -0.310
  123   HG23  THR  15          HG23      THR  15   7.399   2.249   0.163
  124    H    VAL  16           H        VAL  16   6.169   1.963   3.049
  125    HA   VAL  16           HA       VAL  16   5.348  -0.836   2.515
  126    HB   VAL  16           HB       VAL  16   4.192   1.499   4.034
  127   HG11  VAL  16          HG11      VAL  16   2.240   0.824   2.700
  128   HG12  VAL  16          HG12      VAL  16   2.517  -0.883   3.114
  129   HG13  VAL  16          HG13      VAL  16   2.059   0.299   4.365
  130   HG21  VAL  16          HG21      VAL  16   4.388  -1.486   4.614
  131   HG22  VAL  16          HG22      VAL  16   5.614  -0.291   5.103
  132   HG23  VAL  16          HG23      VAL  16   3.977  -0.200   5.776
  133    H    TYR  17           H        TYR  17   3.880  -1.424   1.026
  134    HA   TYR  17           HA       TYR  17   2.552   0.520  -0.697
  135    HB2  TYR  17           HB2      TYR  17   3.488  -0.367  -2.767
  136    HB3  TYR  17           HB3      TYR  17   4.762   0.276  -1.760
  137    HD1  TYR  17           HD1      TYR  17   6.295  -1.171  -0.550
  138    HD2  TYR  17           HD2      TYR  17   3.484  -2.777  -3.403
  139    HE1  TYR  17           HE1      TYR  17   7.752  -3.146  -0.870
  140    HE2  TYR  17           HE2      TYR  17   4.957  -4.737  -3.738
  141    HH   TYR  17           HH       TYR  17   8.148  -4.998  -2.192
  142    H    TYR  18           H        TYR  18   1.357  -0.952  -2.476
  143    HA   TYR  18           HA       TYR  18   0.262  -3.341  -1.108
  144    HB2  TYR  18           HB2      TYR  18  -1.217  -1.291  -2.782
  145    HB3  TYR  18           HB3      TYR  18  -1.914  -2.763  -2.092
  146    HD1  TYR  18           HD1      TYR  18  -2.361  -2.945   0.310
  147    HD2  TYR  18           HD2      TYR  18  -0.436   0.558  -1.309
  148    HE1  TYR  18           HE1      TYR  18  -2.481  -1.866   2.520
  149    HE2  TYR  18           HE2      TYR  18  -0.424   1.603   0.911
  150    HH   TYR  18           HH       TYR  18  -1.878  -0.032   3.782
  151    H    PHE  19           H        PHE  19   0.231  -5.182  -2.218
  152    HA   PHE  19           HA       PHE  19   1.338  -5.184  -5.006
  153    HB2  PHE  19           HB2      PHE  19   2.957  -5.724  -3.227
  154    HB3  PHE  19           HB3      PHE  19   1.899  -6.971  -2.607
  155    HD1  PHE  19           HD1      PHE  19   4.133  -6.019  -5.407
  156    HD2  PHE  19           HD2      PHE  19   1.722  -9.168  -3.699
  157    HE1  PHE  19           HE1      PHE  19   5.338  -7.667  -6.767
  158    HE2  PHE  19           HE2      PHE  19   2.936 -10.829  -5.093
  159    HZ   PHE  19           HZ       PHE  19   4.769 -10.102  -6.590
  160    H    ASN  20           H        ASN  20   0.443  -6.618  -6.478
  161    HA   ASN  20           HA       ASN  20  -1.940  -8.144  -5.577
  162    HB2  ASN  20           HB2      ASN  20  -2.161  -6.546  -7.465
  163    HB3  ASN  20           HB3      ASN  20  -0.982  -7.484  -8.367
  164   HD21  ASN  20          HD22      ASN  20  -4.238  -7.539  -6.940
  165   HD22  ASN  20          HD21      ASN  20  -4.805  -8.963  -7.752
  166    H    HIS  21           H        HIS  21  -1.381 -10.138  -4.807
  167    HA   HIS  21           HA       HIS  21   0.948 -11.503  -5.834
  168    HB2  HIS  21           HB2      HIS  21   0.686 -13.039  -4.174
  169    HB3  HIS  21           HB3      HIS  21   0.016 -11.590  -3.461
  170    HD2  HIS  21           HD2      HIS  21  -2.981 -12.017  -4.905
  171    HE1  HIS  21           HE1      HIS  21  -3.053 -15.477  -2.419
  172    HE2  HIS  21           HE2      HIS  21  -4.486 -13.875  -3.790
  173    H    ILE  22           H        ILE  22  -1.942 -11.224  -7.450
  174    HA   ILE  22           HA       ILE  22  -1.817 -13.939  -8.651
  175    HB   ILE  22           HB       ILE  22  -3.659 -11.654  -9.420
  176   HG12  ILE  22          HG12      ILE  22  -4.071 -11.977  -7.062
  177   HG13  ILE  22          HG13      ILE  22  -5.422 -12.526  -8.024
  178   HG21  ILE  22          HG21      ILE  22  -5.149 -13.524 -10.176
  179   HG22  ILE  22          HG22      ILE  22  -3.638 -13.401 -11.071
  180   HG23  ILE  22          HG23      ILE  22  -3.823 -14.659  -9.838
  181   HD11  ILE  22          HD11      ILE  22  -3.350 -14.352  -6.726
  182   HD12  ILE  22          HD12      ILE  22  -4.996 -14.030  -6.140
  183   HD13  ILE  22          HD13      ILE  22  -4.761 -14.886  -7.670
  184    H    THR  23           H        THR  23  -0.775 -10.641  -9.218
  185    HA   THR  23           HA       THR  23   0.063 -11.315 -12.031
  186    HB   THR  23           HB       THR  23  -0.496  -8.984 -12.617
  187    HG1  THR  23           HG1      THR  23  -1.730  -8.883 -10.071
  188   HG21  THR  23          HG21      THR  23  -2.903 -10.355 -11.344
  189   HG22  THR  23          HG22      THR  23  -2.912  -9.109 -12.607
  190   HG23  THR  23          HG23      THR  23  -2.243 -10.715 -12.953
  191    H    ASN  24           H        ASN  24   1.211 -10.089  -9.003
  192    HA   ASN  24           HA       ASN  24   3.083  -9.140  -8.341
  193    HB2  ASN  24           HB2      ASN  24   4.087 -10.756 -10.125
  194    HB3  ASN  24           HB3      ASN  24   4.348  -9.303 -11.085
  195   HD21  ASN  24          HD22      ASN  24   5.465  -7.462  -9.612
  196   HD22  ASN  24          HD21      ASN  24   6.939  -8.104  -8.850
  197    H    ALA  25           H        ALA  25   0.782  -7.593  -9.992
  198    HA   ALA  25           HA       ALA  25   2.091  -5.096 -10.614
  199    HB1  ALA  25           HB1      ALA  25  -0.782  -5.634  -9.742
  200    HB2  ALA  25           HB2      ALA  25  -0.175  -4.178 -10.552
  201    HB3  ALA  25           HB3      ALA  25  -0.178  -5.730 -11.411
  202    H    SER  26           H        SER  26   2.016  -3.082  -9.312
  203    HA   SER  26           HA       SER  26   1.626  -3.373  -6.409
  204    HB2  SER  26           HB2      SER  26   3.865  -2.510  -5.906
  205    HB3  SER  26           HB3      SER  26   3.965  -4.055  -6.739
  206    HG   SER  26           HG       SER  26   3.988  -1.635  -8.205
  207    H    GLN  27           H        GLN  27   1.060  -1.453  -5.403
  208    HA   GLN  27           HA       GLN  27   1.487   1.123  -6.813
  209    HB2  GLN  27           HB2      GLN  27  -0.760   1.861  -6.444
  210    HB3  GLN  27           HB3      GLN  27  -0.847   0.329  -7.313
  211    HG2  GLN  27           HG2      GLN  27  -1.382  -0.837  -5.156
  212    HG3  GLN  27           HG3      GLN  27  -1.274   0.701  -4.303
  213   HE21  GLN  27          HE22      GLN  27  -3.364   1.203  -3.628
  214   HE22  GLN  27          HE21      GLN  27  -4.704   1.139  -4.791
  215    H    PHE  28           H        PHE  28   1.574   2.977  -5.316
  216    HA   PHE  28           HA       PHE  28   2.149   2.201  -2.518
  217    HB2  PHE  28           HB2      PHE  28   2.403   4.821  -4.021
  218    HB3  PHE  28           HB3      PHE  28   2.757   4.617  -2.309
  219    HD1  PHE  28           HD1      PHE  28   4.484   2.803  -1.603
  220    HD2  PHE  28           HD2      PHE  28   4.133   4.347  -5.626
  221    HE1  PHE  28           HE1      PHE  28   6.774   2.073  -2.085
  222    HE2  PHE  28           HE2      PHE  28   6.437   3.574  -6.111
  223    HZ   PHE  28           HZ       PHE  28   7.770   2.434  -4.348
  224    H    GLU  29           H        GLU  29  -0.641   3.390  -4.280
  225    HA   GLU  29           HA       GLU  29  -1.690   4.958  -2.150
  226    HB2  GLU  29           HB2      GLU  29  -2.428   4.450  -4.820
  227    HB3  GLU  29           HB3      GLU  29  -3.784   3.836  -3.881
  228    HG2  GLU  29           HG2      GLU  29  -2.582   6.632  -3.686
  229    HG3  GLU  29           HG3      GLU  29  -4.066   6.202  -4.530
  230    H    ARG  30           H        ARG  30  -3.002   4.563  -0.556
  231    HA   ARG  30           HA       ARG  30  -3.144   1.768   0.407
  232    HB2  ARG  30           HB2      ARG  30  -3.319   2.868   2.713
  233    HB3  ARG  30           HB3      ARG  30  -1.807   2.954   1.854
  234    HG2  ARG  30           HG2      ARG  30  -2.085   4.960   2.954
  235    HG3  ARG  30           HG3      ARG  30  -2.203   5.281   1.239
  236    HD2  ARG  30           HD2      ARG  30  -4.735   4.835   2.870
  237    HD3  ARG  30           HD3      ARG  30  -3.839   6.347   3.085
  238    HE   ARG  30           HE       ARG  30  -4.191   6.053   0.292
  239   HH11  ARG  30          HH11      ARG  30  -6.234   6.609   3.062
  240   HH12  ARG  30          HH12      ARG  30  -7.417   7.500   2.129
  241   HH21  ARG  30          HH21      ARG  30  -5.709   7.049  -0.875
  242   HH22  ARG  30          HH22      ARG  30  -7.034   7.874  -0.059
  243    HA   PRO  31           HA       PRO  31  -7.439   1.181   0.626
  244    HB2  PRO  31           HB2      PRO  31  -7.133   0.941   3.626
  245    HB3  PRO  31           HB3      PRO  31  -8.120  -0.064   2.513
  246    HG2  PRO  31           HG2      PRO  31  -5.705  -0.934   3.300
  247    HG3  PRO  31           HG3      PRO  31  -6.172  -1.072   1.583
  248    HD2  PRO  31           HD2      PRO  31  -4.359   0.949   2.883
  249    HD3  PRO  31           HD3      PRO  31  -4.208   0.133   1.293
  250    H    SER  32           H        SER  32  -9.460   1.890   1.398
  251    HA   SER  32           HA       SER  32  -9.857   4.144   3.169
  252    HB2  SER  32           HB2      SER  32 -10.602   4.769   0.290
  253    HB3  SER  32           HB3      SER  32 -10.556   5.850   1.680
  254    HG   SER  32           HG       SER  32  -8.135   4.942   1.509
  255    H    GLY  33           H        GLY  33 -10.799   1.328   2.485
  256    HA2  GLY  33           HA2      GLY  33 -13.042   0.534   3.107
  257    HA3  GLY  33           HA3      GLY  33 -13.680   1.674   1.894
  258    H1   NAG 101           H1       NAG  34  12.410   0.504  -0.243
  259    H2   NAG 101           H2       NAG  34  13.664   3.066  -1.378
  260    H3   NAG 101           H3       NAG  34  10.797   2.018  -1.276
  261    H4   NAG 101           H4       NAG  34  12.653   2.534  -3.658
  262    H5   NAG 101           H5       NAG  34  11.552  -0.038  -2.461
  263    H61  NAG 101           H61      NAG  34  12.903  -1.295  -3.981
  264    H62  NAG 101           H62      NAG  34  11.979  -0.159  -4.967
  265    H81  NAG 101           H2M      NAG  34  12.176   5.058   2.161
  266    H82  NAG 101           H3M      NAG  34  13.859   5.179   2.707
  267    H83  NAG 101           H1M      NAG  34  12.867   3.805   3.223
  268    HN2  NAG 101           H2N      NAG  34  11.623   3.229   0.741
  269    HO3  NAG 101           H3O      NAG  34  11.103   4.413  -1.141
  270    HO4  NAG 101           H4O      NAG  34  10.325   2.886  -3.710
  271    HO6  NAG 101           H6O      NAG  34  14.584   0.354  -3.914
  Start of MODEL   14
    1    H1   LYS   1           H1       LYS   1 -12.211  -0.647   1.410
    2    H2   LYS   1           H2       LYS   1 -11.297  -0.301   2.703
    3    H3   LYS   1           H3       LYS   1 -12.907  -0.612   2.923
    4    HA   LYS   1           HA       LYS   1 -11.303  -2.457   3.530
    5    HB2  LYS   1           HB2      LYS   1 -13.526  -2.948   1.503
    6    HB3  LYS   1           HB3      LYS   1 -12.691  -4.234   2.366
    7    HG2  LYS   1           HG2      LYS   1 -14.299  -2.020   3.715
    8    HG3  LYS   1           HG3      LYS   1 -14.891  -3.639   3.342
    9    HD2  LYS   1           HD2      LYS   1 -13.095  -4.615   4.813
   10    HD3  LYS   1           HD3      LYS   1 -12.586  -2.973   5.228
   11    HE2  LYS   1           HE2      LYS   1 -13.963  -3.737   7.013
   12    HE3  LYS   1           HE3      LYS   1 -14.875  -2.510   6.128
   13    HZ1  LYS   1           HZ1      LYS   1 -16.241  -4.435   6.645
   14    HZ2  LYS   1           HZ2      LYS   1 -16.069  -4.317   5.015
   15    HZ3  LYS   1           HZ3      LYS   1 -15.216  -5.444   5.852
   16    H    LEU   2           H        LEU   2  -9.574  -3.665   2.856
   17    HA   LEU   2           HA       LEU   2  -8.143  -3.098   0.528
   18    HB2  LEU   2           HB2      LEU   2  -7.426  -4.098   2.755
   19    HB3  LEU   2           HB3      LEU   2  -8.152  -5.616   2.249
   20    HG   LEU   2           HG       LEU   2  -6.503  -5.749   0.372
   21   HD11  LEU   2          HD11      LEU   2  -5.325  -3.244   1.656
   22   HD12  LEU   2          HD12      LEU   2  -4.543  -4.258   0.413
   23   HD13  LEU   2          HD13      LEU   2  -6.006  -3.368   0.023
   24   HD21  LEU   2          HD21      LEU   2  -5.376  -5.304   3.181
   25   HD22  LEU   2          HD22      LEU   2  -6.013  -6.828   2.518
   26   HD23  LEU   2          HD23      LEU   2  -4.525  -6.130   1.868
   27    HA   PRO   3           HA       PRO   3 -10.975  -5.327  -2.100
   28    HB2  PRO   3           HB2      PRO   3 -10.008  -4.754  -4.596
   29    HB3  PRO   3           HB3      PRO   3 -10.746  -3.523  -3.525
   30    HG2  PRO   3           HG2      PRO   3  -7.800  -4.146  -3.887
   31    HG3  PRO   3           HG3      PRO   3  -8.607  -2.549  -3.963
   32    HD2  PRO   3           HD2      PRO   3  -7.389  -3.469  -1.699
   33    HD3  PRO   3           HD3      PRO   3  -8.889  -2.488  -1.621
   34    HA   PRO   4           HA       PRO   4  -9.712  -9.431  -3.084
   35    HB2  PRO   4           HB2      PRO   4 -10.877  -8.934  -5.836
   36    HB3  PRO   4           HB3      PRO   4 -11.061 -10.373  -4.780
   37    HG2  PRO   4           HG2      PRO   4 -13.016  -8.508  -4.865
   38    HG3  PRO   4           HG3      PRO   4 -12.495  -9.174  -3.283
   39    HD2  PRO   4           HD2      PRO   4 -11.750  -6.537  -4.551
   40    HD3  PRO   4           HD3      PRO   4 -12.161  -6.911  -2.849
   41    H    GLY   5           H        GLY   5  -7.841 -10.347  -3.621
   42    HA2  GLY   5           HA2      GLY   5  -6.005 -10.987  -4.858
   43    HA3  GLY   5           HA3      GLY   5  -6.493  -9.883  -6.146
   44    H    TRP   6           H        TRP   6  -6.453  -7.676  -3.753
   45    HA   TRP   6           HA       TRP   6  -3.574  -7.077  -3.975
   46    HB2  TRP   6           HB2      TRP   6  -5.994  -5.488  -3.090
   47    HB3  TRP   6           HB3      TRP   6  -4.340  -4.929  -2.966
   48    HD1  TRP   6           HD1      TRP   6  -7.011  -5.709  -5.582
   49    HE1  TRP   6           HE1      TRP   6  -6.391  -4.559  -7.803
   50    HE3  TRP   6           HE3      TRP   6  -2.276  -4.173  -4.406
   51    HZ2  TRP   6           HZ2      TRP   6  -4.087  -3.226  -8.947
   52    HZ3  TRP   6           HZ3      TRP   6  -0.870  -3.018  -6.103
   53    HH2  TRP   6           HH2      TRP   6  -1.766  -2.546  -8.358
   54    H    GLU   7           H        GLU   7  -2.172  -7.106  -2.257
   55    HA   GLU   7           HA       GLU   7  -3.364  -7.196   0.443
   56    HB2  GLU   7           HB2      GLU   7  -1.732  -8.810   1.194
   57    HB3  GLU   7           HB3      GLU   7  -2.862  -9.481   0.019
   58    HG2  GLU   7           HG2      GLU   7  -1.177  -9.394  -1.754
   59    HG3  GLU   7           HG3      GLU   7  -0.051  -8.555  -0.689
   60    H    LYS   8           H        LYS   8  -1.902  -6.549   2.164
   61    HA   LYS   8           HA       LYS   8  -0.474  -4.109   1.454
   62    HB2  LYS   8           HB2      LYS   8  -2.072  -4.511   3.408
   63    HB3  LYS   8           HB3      LYS   8  -0.798  -5.471   4.164
   64    HG2  LYS   8           HG2      LYS   8   0.686  -3.425   4.087
   65    HG3  LYS   8           HG3      LYS   8  -0.678  -2.495   3.456
   66    HD2  LYS   8           HD2      LYS   8  -0.602  -3.978   6.118
   67    HD3  LYS   8           HD3      LYS   8  -0.332  -2.253   5.940
   68    HE2  LYS   8           HE2      LYS   8  -2.936  -3.551   5.031
   69    HE3  LYS   8           HE3      LYS   8  -2.666  -3.126   6.719
   70    HZ1  LYS   8           HZ1      LYS   8  -2.487  -1.169   4.499
   71    HZ2  LYS   8           HZ2      LYS   8  -3.811  -1.350   5.458
   72    HZ3  LYS   8           HZ3      LYS   8  -2.380  -0.845   6.103
   73    H    ARG   9           H        ARG   9   1.795  -3.782   1.351
   74    HA   ARG   9           HA       ARG   9   3.602  -5.958   2.187
   75    HB2  ARG   9           HB2      ARG   9   2.571  -5.723  -0.325
   76    HB3  ARG   9           HB3      ARG   9   3.704  -4.394  -0.409
   77    HG2  ARG   9           HG2      ARG   9   4.864  -6.077  -1.295
   78    HG3  ARG   9           HG3      ARG   9   5.482  -6.192   0.350
   79    HD2  ARG   9           HD2      ARG   9   3.694  -8.014  -1.235
   80    HD3  ARG   9           HD3      ARG   9   5.104  -8.428  -0.251
   81    HE   ARG   9           HE       ARG   9   2.972  -7.457   1.435
   82   HH11  ARG   9          HH12      ARG   9   3.499 -10.232  -0.613
   83   HH12  ARG   9          HH11      ARG   9   1.951 -10.895  -0.156
   84   HH21  ARG   9          HH21      ARG   9   1.349  -8.465   2.256
   85   HH22  ARG   9          HH22      ARG   9   0.890 -10.076   1.664
   86    H    MET  10           H        MET  10   5.954  -5.187   1.945
   87    HA   MET  10           HA       MET  10   6.326  -2.316   2.236
   88    HB2  MET  10           HB2      MET  10   5.646  -3.243   4.540
   89    HB3  MET  10           HB3      MET  10   7.149  -4.172   4.508
   90    HG2  MET  10           HG2      MET  10   8.370  -1.950   4.175
   91    HG3  MET  10           HG3      MET  10   6.822  -1.152   4.393
   92    HE1  MET  10           HE1      MET  10   8.771  -4.124   6.231
   93    HE2  MET  10           HE2      MET  10   9.909  -2.781   5.974
   94    HE3  MET  10           HE3      MET  10   9.393  -3.209   7.620
   95    H    PHE  11           H        PHE  11   8.305  -1.679   1.661
   96    HA   PHE  11           HA       PHE  11  10.331  -3.510   0.627
   97    HB2  PHE  11           HB2      PHE  11  10.211  -0.498   1.054
   98    HB3  PHE  11           HB3      PHE  11  11.554  -1.355   0.315
   99    HD1  PHE  11           HD2      PHE  11  11.212  -2.727  -1.780
  100    HD2  PHE  11           HD1      PHE  11   8.324   0.166  -0.353
  101    HE1  PHE  11           HE2      PHE  11  10.169  -2.662  -4.025
  102    HE2  PHE  11           HE1      PHE  11   7.306   0.205  -2.625
  103    HZ   PHE  11           HZ       PHE  11   8.220  -1.180  -4.443
  104    H    ALA  12           H        ALA  12  12.206  -4.176   1.716
  105    HA   ALA  12           HA       ALA  12  12.215  -4.254   4.508
  106    HB1  ALA  12           HB1      ALA  12  14.524  -4.645   2.553
  107    HB2  ALA  12           HB2      ALA  12  14.462  -5.229   4.230
  108    HB3  ALA  12           HB3      ALA  12  13.330  -5.878   3.029
  109    H    ASN  13           H        ASN  13  13.762  -1.846   2.398
  110    HA   ASN  13           HA       ASN  13  15.171  -0.454   4.502
  111    HB2  ASN  13           HB2      ASN  13  15.484   1.242   2.664
  112    HB3  ASN  13           HB3      ASN  13  16.074  -0.372   2.304
  113   HD21  ASN  13          HD21      ASN  13  14.452   2.189   0.943
  114    H    GLY  14           H        GLY  14  11.917  -0.816   4.297
  115    HA2  GLY  14           HA2      GLY  14  10.489   0.127   5.815
  116    HA3  GLY  14           HA3      GLY  14  11.547   1.525   6.002
  117    H    THR  15           H        THR  15   9.365   0.054   3.426
  118    HA   THR  15           HA       THR  15   7.830   2.548   3.497
  119    HB   THR  15           HB       THR  15   9.285   1.783   0.954
  120    HG1  THR  15           HG1      THR  15   9.858   3.357   2.978
  121   HG21  THR  15          HG21      THR  15   8.213   3.748  -0.044
  122   HG22  THR  15          HG22      THR  15   6.956   2.587   0.438
  123   HG23  THR  15          HG23      THR  15   7.274   4.029   1.434
  124    H    VAL  16           H        VAL  16   5.692   2.129   3.251
  125    HA   VAL  16           HA       VAL  16   4.966  -0.679   2.690
  126    HB   VAL  16           HB       VAL  16   3.619   1.629   4.111
  127   HG11  VAL  16          HG11      VAL  16   2.273  -1.010   3.368
  128   HG12  VAL  16          HG12      VAL  16   1.662   0.164   4.551
  129   HG13  VAL  16          HG13      VAL  16   1.767   0.617   2.853
  130   HG21  VAL  16          HG21      VAL  16   3.565  -0.003   5.965
  131   HG22  VAL  16          HG22      VAL  16   4.251  -1.249   4.903
  132   HG23  VAL  16          HG23      VAL  16   5.216   0.180   5.363
  133    H    TYR  17           H        TYR  17   3.545  -1.331   1.181
  134    HA   TYR  17           HA       TYR  17   2.193   0.564  -0.598
  135    HB2  TYR  17           HB2      TYR  17   3.221  -0.299  -2.626
  136    HB3  TYR  17           HB3      TYR  17   4.456   0.351  -1.575
  137    HD1  TYR  17           HD1      TYR  17   5.963  -1.100  -0.304
  138    HD2  TYR  17           HD2      TYR  17   3.274  -2.713  -3.264
  139    HE1  TYR  17           HE1      TYR  17   7.462  -3.042  -0.600
  140    HE2  TYR  17           HE2      TYR  17   4.750  -4.692  -3.531
  141    HH   TYR  17           HH       TYR  17   7.902  -4.913  -1.866
  142    H    TYR  18           H        TYR  18   1.009  -0.825  -2.350
  143    HA   TYR  18           HA       TYR  18  -0.068  -3.311  -1.136
  144    HB2  TYR  18           HB2      TYR  18  -1.337  -1.220  -2.944
  145    HB3  TYR  18           HB3      TYR  18  -2.091  -2.761  -2.499
  146    HD1  TYR  18           HD1      TYR  18  -2.579  -3.326  -0.160
  147    HD2  TYR  18           HD2      TYR  18  -1.020   0.556  -1.248
  148    HE1  TYR  18           HE1      TYR  18  -3.074  -2.490   2.118
  149    HE2  TYR  18           HE2      TYR  18  -1.323   1.326   1.054
  150    HH   TYR  18           HH       TYR  18  -3.529  -0.102   3.103
  151    H    PHE  19           H        PHE  19  -0.009  -5.127  -2.156
  152    HA   PHE  19           HA       PHE  19   1.276  -5.283  -4.837
  153    HB2  PHE  19           HB2      PHE  19   2.752  -5.808  -2.951
  154    HB3  PHE  19           HB3      PHE  19   1.599  -6.959  -2.316
  155    HD1  PHE  19           HD1      PHE  19   3.912  -6.221  -5.129
  156    HD2  PHE  19           HD2      PHE  19   1.446  -9.233  -3.235
  157    HE1  PHE  19           HE1      PHE  19   5.038  -7.966  -6.443
  158    HE2  PHE  19           HE2      PHE  19   2.580 -10.984  -4.570
  159    HZ   PHE  19           HZ       PHE  19   4.375 -10.368  -6.174
  160    H    ASN  20           H        ASN  20  -0.117  -6.046  -6.305
  161    HA   ASN  20           HA       ASN  20  -2.462  -7.592  -5.596
  162    HB2  ASN  20           HB2      ASN  20  -2.380  -5.952  -7.483
  163    HB3  ASN  20           HB3      ASN  20  -1.226  -6.990  -8.293
  164   HD21  ASN  20          HD22      ASN  20  -4.652  -6.639  -7.331
  165   HD22  ASN  20          HD21      ASN  20  -5.159  -8.046  -8.253
  166    H    HIS  21           H        HIS  21  -1.964  -9.580  -4.690
  167    HA   HIS  21           HA       HIS  21   0.278 -11.162  -5.585
  168    HB2  HIS  21           HB2      HIS  21  -0.463 -12.732  -3.908
  169    HB3  HIS  21           HB3      HIS  21  -0.498 -11.098  -3.287
  170    HD2  HIS  21           HD2      HIS  21  -2.975 -13.800  -4.577
  171    HE1  HIS  21           HE1      HIS  21  -5.082 -11.240  -1.883
  172    HE2  HIS  21           HE2      HIS  21  -5.243 -13.377  -3.294
  173    H    ILE  22           H        ILE  22  -2.482 -10.648  -7.346
  174    HA   ILE  22           HA       ILE  22  -2.546 -13.431  -8.418
  175    HB   ILE  22           HB       ILE  22  -4.349 -11.033  -8.927
  176   HG12  ILE  22          HG12      ILE  22  -4.764 -13.630  -7.374
  177   HG13  ILE  22          HG13      ILE  22  -4.639 -12.012  -6.689
  178   HG21  ILE  22          HG21      ILE  22  -4.222 -12.410 -10.964
  179   HG22  ILE  22          HG22      ILE  22  -4.555 -13.875 -10.014
  180   HG23  ILE  22          HG23      ILE  22  -5.785 -12.603 -10.210
  181   HD11  ILE  22          HD11      ILE  22  -6.935 -12.582  -6.655
  182   HD12  ILE  22          HD12      ILE  22  -6.742 -11.381  -7.951
  183   HD13  ILE  22          HD13      ILE  22  -6.932 -13.110  -8.339
  184    H    THR  23           H        THR  23  -1.171 -10.291  -9.003
  185    HA   THR  23           HA       THR  23  -0.279 -11.139 -11.754
  186    HB   THR  23           HB       THR  23  -0.493  -8.768 -12.414
  187    HG1  THR  23           HG1      THR  23  -1.903  -8.464  -9.977
  188   HG21  THR  23          HG21      THR  23  -2.401 -10.289 -12.868
  189   HG22  THR  23          HG22      THR  23  -3.130  -9.839 -11.313
  190   HG23  THR  23          HG23      THR  23  -2.912  -8.614 -12.580
  191    H    ASN  24           H        ASN  24   0.704  -9.743  -8.725
  192    HA   ASN  24           HA       ASN  24   2.617  -9.159  -7.841
  193    HB2  ASN  24           HB2      ASN  24   4.093  -9.295 -10.491
  194    HB3  ASN  24           HB3      ASN  24   4.775  -9.219  -8.879
  195   HD21  ASN  24          HD22      ASN  24   3.135 -11.277 -11.194
  196   HD22  ASN  24          HD21      ASN  24   3.588 -12.797 -10.391
  197    H    ALA  25           H        ALA  25   0.666  -7.349  -9.738
  198    HA   ALA  25           HA       ALA  25   2.281  -5.050 -10.290
  199    HB1  ALA  25           HB1      ALA  25  -0.720  -5.262  -9.775
  200    HB2  ALA  25           HB2      ALA  25   0.122  -3.912 -10.557
  201    HB3  ALA  25           HB3      ALA  25   0.084  -5.504 -11.343
  202    H    SER  26           H        SER  26   3.051  -3.441  -8.950
  203    HA   SER  26           HA       SER  26   2.105  -3.387  -6.130
  204    HB2  SER  26           HB2      SER  26   4.369  -2.679  -5.555
  205    HB3  SER  26           HB3      SER  26   4.379  -4.248  -6.353
  206    HG   SER  26           HG       SER  26   4.635  -1.816  -7.792
  207    H    GLN  27           H        GLN  27   1.172  -1.531  -5.447
  208    HA   GLN  27           HA       GLN  27   1.915   1.074  -6.703
  209    HB2  GLN  27           HB2      GLN  27  -0.872  -0.097  -6.319
  210    HB3  GLN  27           HB3      GLN  27  -0.583   1.639  -6.447
  211    HG2  GLN  27           HG2      GLN  27   0.477   1.344  -8.656
  212    HG3  GLN  27           HG3      GLN  27   0.233  -0.407  -8.558
  213   HE21  GLN  27          HE22      GLN  27  -1.614   2.746  -8.545
  214   HE22  GLN  27          HE21      GLN  27  -3.014   1.982  -9.325
  215    H    PHE  28           H        PHE  28   1.666   2.898  -5.273
  216    HA   PHE  28           HA       PHE  28   2.010   2.160  -2.406
  217    HB2  PHE  28           HB2      PHE  28   2.325   4.778  -3.931
  218    HB3  PHE  28           HB3      PHE  28   2.585   4.574  -2.199
  219    HD1  PHE  28           HD2      PHE  28   4.341   2.914  -1.384
  220    HD2  PHE  28           HD1      PHE  28   4.085   4.229  -5.484
  221    HE1  PHE  28           HE2      PHE  28   6.644   2.150  -1.768
  222    HE2  PHE  28           HE1      PHE  28   6.412   3.457  -5.871
  223    HZ   PHE  28           HZ       PHE  28   7.705   2.411  -4.019
  224    H    GLU  29           H        GLU  29  -0.122   3.749  -4.638
  225    HA   GLU  29           HA       GLU  29  -1.840   5.240  -3.081
  226    HB2  GLU  29           HB2      GLU  29  -2.690   3.589  -5.502
  227    HB3  GLU  29           HB3      GLU  29  -3.392   5.086  -4.901
  228    HG2  GLU  29           HG2      GLU  29  -2.164   5.881  -6.672
  229    HG3  GLU  29           HG3      GLU  29  -0.999   6.107  -5.373
  230    H    ARG  30           H        ARG  30  -2.833   4.638  -1.261
  231    HA   ARG  30           HA       ARG  30  -3.280   1.952  -0.537
  232    HB2  ARG  30           HB2      ARG  30  -2.614   3.637   1.027
  233    HB3  ARG  30           HB3      ARG  30  -4.108   4.568   0.775
  234    HG2  ARG  30           HG2      ARG  30  -5.448   2.759   1.758
  235    HG3  ARG  30           HG3      ARG  30  -4.019   1.723   1.830
  236    HD2  ARG  30           HD2      ARG  30  -2.980   3.364   3.433
  237    HD3  ARG  30           HD3      ARG  30  -4.505   4.279   3.405
  238    HE   ARG  30           HE       ARG  30  -4.729   1.409   4.024
  239   HH11  ARG  30          HH11      ARG  30  -4.464   4.572   5.498
  240   HH12  ARG  30          HH12      ARG  30  -5.071   4.035   7.044
  241   HH21  ARG  30          HH21      ARG  30  -5.450   0.719   6.013
  242   HH22  ARG  30          HH22      ARG  30  -5.649   1.875   7.316
  243    HA   PRO  31           HA       PRO  31  -7.443   1.867  -2.283
  244    HB2  PRO  31           HB2      PRO  31  -7.765  -0.671  -2.778
  245    HB3  PRO  31           HB3      PRO  31  -6.525   0.334  -3.602
  246    HG2  PRO  31           HG2      PRO  31  -6.102  -1.554  -1.248
  247    HG3  PRO  31           HG3      PRO  31  -5.157  -1.513  -2.772
  248    HD2  PRO  31           HD2      PRO  31  -4.476  -0.156  -0.427
  249    HD3  PRO  31           HD3      PRO  31  -3.967   0.349  -2.058
  250    H    SER  32           H        SER  32  -7.580   2.515  -0.147
  251    HA   SER  32           HA       SER  32  -8.755   2.757   1.934
  252    HB2  SER  32           HB2      SER  32 -11.081   2.159   1.794
  253    HB3  SER  32           HB3      SER  32 -10.522   2.665   0.194
  254    HG   SER  32           HG       SER  32 -10.090   0.205   0.001
  255    H    GLY  33           H        GLY  33  -6.780   0.533   2.054
  256    HA2  GLY  33           HA2      GLY  33  -7.800  -0.816   4.481
  257    HA3  GLY  33           HA3      GLY  33  -7.186  -1.818   3.151
  258    H1   NAG 101           H1       NAG  34  12.108   0.866   0.146
  259    H2   NAG 101           H2       NAG  34  13.321   3.466  -0.956
  260    H3   NAG 101           H3       NAG  34  10.485   2.330  -0.929
  261    H4   NAG 101           H4       NAG  34  12.385   2.909  -3.259
  262    H5   NAG 101           H5       NAG  34  11.335   0.293  -2.109
  263    H61  NAG 101           H61      NAG  34  12.752  -0.905  -3.603
  264    H62  NAG 101           H62      NAG  34  11.868   0.242  -4.614
  265    H81  NAG 101           H2M      NAG  34  11.693   5.422   2.547
  266    H82  NAG 101           H3M      NAG  34  13.348   5.539   3.178
  267    H83  NAG 101           H1M      NAG  34  12.335   4.151   3.617
  268    HN2  NAG 101           H2N      NAG  34  11.222   3.568   1.107
  269    HO3  NAG 101           H3O      NAG  34  10.701   4.728  -0.783
  270    HO4  NAG 101           H4O      NAG  34  10.050   3.183  -3.377
  271    HO6  NAG 101           H6O      NAG  34  14.398   0.780  -3.409
  Start of MODEL   15
    1    H1   LYS   1           H1       LYS   1  -7.007   3.789  -2.325
    2    H2   LYS   1           H2       LYS   1  -6.964   3.044  -0.853
    3    H3   LYS   1           H3       LYS   1  -7.888   4.379  -1.086
    4    HA   LYS   1           HA       LYS   1  -9.279   2.378  -1.074
    5    HB2  LYS   1           HB2      LYS   1  -8.991   3.767  -3.764
    6    HB3  LYS   1           HB3      LYS   1 -10.365   2.764  -3.314
    7    HG2  LYS   1           HG2      LYS   1 -11.259   4.303  -1.871
    8    HG3  LYS   1           HG3      LYS   1  -9.732   4.968  -1.389
    9    HD2  LYS   1           HD2      LYS   1 -11.321   5.605  -3.870
   10    HD3  LYS   1           HD3      LYS   1 -10.899   6.672  -2.542
   11    HE2  LYS   1           HE2      LYS   1  -9.106   5.662  -4.779
   12    HE3  LYS   1           HE3      LYS   1  -9.634   7.310  -4.464
   13    HZ1  LYS   1           HZ1      LYS   1  -8.236   6.549  -2.174
   14    HZ2  LYS   1           HZ2      LYS   1  -7.385   5.907  -3.413
   15    HZ3  LYS   1           HZ3      LYS   1  -7.690   7.517  -3.395
   16    H    LEU   2           H        LEU   2  -7.938   0.451  -0.769
   17    HA   LEU   2           HA       LEU   2  -6.129  -0.561  -2.595
   18    HB2  LEU   2           HB2      LEU   2  -6.278  -1.190  -0.265
   19    HB3  LEU   2           HB3      LEU   2  -7.860  -1.929  -0.502
   20    HG   LEU   2           HG       LEU   2  -6.834  -3.730  -1.835
   21   HD11  LEU   2          HD11      LEU   2  -4.345  -3.890  -1.913
   22   HD12  LEU   2          HD12      LEU   2  -5.010  -2.637  -2.942
   23   HD13  LEU   2          HD13      LEU   2  -4.271  -2.184  -1.396
   24   HD21  LEU   2          HD21      LEU   2  -5.636  -4.871  -0.135
   25   HD22  LEU   2          HD22      LEU   2  -5.337  -3.352   0.727
   26   HD23  LEU   2          HD23      LEU   2  -6.992  -3.995   0.580
   27    HA   PRO   3           HA       PRO   3  -9.093  -2.203  -5.637
   28    HB2  PRO   3           HB2      PRO   3  -7.298  -3.040  -7.571
   29    HB3  PRO   3           HB3      PRO   3  -7.837  -1.350  -7.346
   30    HG2  PRO   3           HG2      PRO   3  -5.332  -2.654  -6.244
   31    HG3  PRO   3           HG3      PRO   3  -5.466  -1.101  -7.130
   32    HD2  PRO   3           HD2      PRO   3  -5.332  -1.181  -4.450
   33    HD3  PRO   3           HD3      PRO   3  -6.453  -0.052  -5.251
   34    HA   PRO   4           HA       PRO   4  -9.234  -6.416  -4.507
   35    HB2  PRO   4           HB2      PRO   4 -10.589  -7.647  -6.564
   36    HB3  PRO   4           HB3      PRO   4 -11.341  -6.498  -5.416
   37    HG2  PRO   4           HG2      PRO   4 -10.259  -5.918  -8.188
   38    HG3  PRO   4           HG3      PRO   4 -11.837  -5.430  -7.490
   39    HD2  PRO   4           HD2      PRO   4  -9.714  -3.737  -7.538
   40    HD3  PRO   4           HD3      PRO   4 -10.827  -3.774  -6.136
   41    H    GLY   5           H        GLY   5  -7.820  -8.048  -4.424
   42    HA2  GLY   5           HA2      GLY   5  -6.487  -9.803  -5.300
   43    HA3  GLY   5           HA3      GLY   5  -6.296  -8.925  -6.818
   44    H    TRP   6           H        TRP   6  -5.746  -6.461  -4.722
   45    HA   TRP   6           HA       TRP   6  -2.837  -6.914  -4.610
   46    HB2  TRP   6           HB2      TRP   6  -4.644  -4.518  -4.364
   47    HB3  TRP   6           HB3      TRP   6  -3.005  -4.481  -3.777
   48    HD1  TRP   6           HD1      TRP   6  -1.187  -3.805  -5.319
   49    HE1  TRP   6           HE1      TRP   6  -0.938  -3.322  -7.810
   50    HE3  TRP   6           HE3      TRP   6  -5.765  -5.429  -6.899
   51    HZ2  TRP   6           HZ2      TRP   6  -2.589  -3.462 -10.184
   52    HZ3  TRP   6           HZ3      TRP   6  -6.426  -5.212  -9.273
   53    HH2  TRP   6           HH2      TRP   6  -4.848  -4.228 -10.931
   54    H    GLU   7           H        GLU   7  -1.719  -7.288  -2.790
   55    HA   GLU   7           HA       GLU   7  -3.122  -7.360  -0.163
   56    HB2  GLU   7           HB2      GLU   7  -3.037  -9.462  -1.394
   57    HB3  GLU   7           HB3      GLU   7  -1.296  -9.373  -1.551
   58    HG2  GLU   7           HG2      GLU   7  -2.685  -9.405   1.160
   59    HG3  GLU   7           HG3      GLU   7  -2.425 -10.893   0.254
   60    H    LYS   8           H        LYS   8  -1.941  -6.702   1.667
   61    HA   LYS   8           HA       LYS   8  -0.061  -4.715   1.226
   62    HB2  LYS   8           HB2      LYS   8  -0.158  -4.221   3.429
   63    HB3  LYS   8           HB3      LYS   8  -1.675  -5.073   3.214
   64    HG2  LYS   8           HG2      LYS   8   0.861  -6.243   4.437
   65    HG3  LYS   8           HG3      LYS   8  -0.477  -5.578   5.336
   66    HD2  LYS   8           HD2      LYS   8  -1.871  -7.357   4.993
   67    HD3  LYS   8           HD3      LYS   8  -1.177  -7.806   3.437
   68    HE2  LYS   8           HE2      LYS   8   0.443  -8.072   5.985
   69    HE3  LYS   8           HE3      LYS   8  -0.710  -9.329   5.493
   70    HZ1  LYS   8           HZ1      LYS   8   1.362  -8.358   3.619
   71    HZ2  LYS   8           HZ2      LYS   8   1.593  -9.692   4.611
   72    HZ3  LYS   8           HZ3      LYS   8   0.403  -9.629   3.460
   73    H    ARG   9           H        ARG   9   2.056  -4.331   1.433
   74    HA   ARG   9           HA       ARG   9   3.987  -6.407   2.324
   75    HB2  ARG   9           HB2      ARG   9   4.132  -4.834  -0.263
   76    HB3  ARG   9           HB3      ARG   9   5.376  -5.950   0.312
   77    HG2  ARG   9           HG2      ARG   9   2.637  -6.651  -0.743
   78    HG3  ARG   9           HG3      ARG   9   4.186  -6.918  -1.528
   79    HD2  ARG   9           HD2      ARG   9   4.869  -8.619  -0.062
   80    HD3  ARG   9           HD3      ARG   9   3.695  -8.161   1.154
   81    HE   ARG   9           HE       ARG   9   1.963  -9.310   0.037
   82   HH11  ARG   9          HH11      ARG   9   4.807  -9.450  -2.029
   83   HH12  ARG   9          HH12      ARG   9   4.012 -10.546  -3.132
   84   HH21  ARG   9          HH21      ARG   9   1.154 -10.655  -1.124
   85   HH22  ARG   9          HH22      ARG   9   1.920 -11.410  -2.551
   86    H    MET  10           H        MET  10   6.284  -5.387   2.200
   87    HA   MET  10           HA       MET  10   6.426  -2.518   2.730
   88    HB2  MET  10           HB2      MET  10   5.681  -3.671   4.860
   89    HB3  MET  10           HB3      MET  10   7.206  -4.555   4.861
   90    HG2  MET  10           HG2      MET  10   8.449  -2.454   5.113
   91    HG3  MET  10           HG3      MET  10   6.961  -1.521   4.883
   92    HE1  MET  10           HE1      MET  10   6.893  -0.121   7.007
   93    HE2  MET  10           HE2      MET  10   7.205  -0.731   8.646
   94    HE3  MET  10           HE3      MET  10   8.522  -0.679   7.462
   95    H    PHE  11           H        PHE  11   8.242  -1.846   1.751
   96    HA   PHE  11           HA       PHE  11  10.257  -3.618   0.671
   97    HB2  PHE  11           HB2      PHE  11   9.984  -0.626   0.897
   98    HB3  PHE  11           HB3      PHE  11  11.375  -1.391   0.159
   99    HD1  PHE  11           HD2      PHE  11  10.863  -3.205  -1.723
  100    HD2  PHE  11           HD1      PHE  11   8.189  -0.001  -0.583
  101    HE1  PHE  11           HE2      PHE  11   9.808  -3.264  -3.964
  102    HE2  PHE  11           HE1      PHE  11   7.201  -0.045  -2.849
  103    HZ   PHE  11           HZ       PHE  11   7.998  -1.645  -4.529
  104    H    ALA  12           H        ALA  12  12.587  -3.523   1.178
  105    HA   ALA  12           HA       ALA  12  13.183  -3.842   3.900
  106    HB1  ALA  12           HB1      ALA  12  14.381  -4.915   2.030
  107    HB2  ALA  12           HB2      ALA  12  15.043  -3.336   1.536
  108    HB3  ALA  12           HB3      ALA  12  15.501  -4.050   3.097
  109    H    ASN  13           H        ASN  13  12.991  -0.836   2.195
  110    HA   ASN  13           HA       ASN  13  14.623   0.638   4.173
  111    HB2  ASN  13           HB2      ASN  13  14.065   2.597   2.776
  112    HB3  ASN  13           HB3      ASN  13  14.784   1.296   1.828
  113   HD21  ASN  13          HD21      ASN  13  13.819   2.401  -0.080
  114    H    GLY  14           H        GLY  14  11.568  -0.731   4.267
  115    HA2  GLY  14           HA2      GLY  14  10.082  -0.495   6.005
  116    HA3  GLY  14           HA3      GLY  14  10.616   1.158   6.321
  117    H    THR  15           H        THR  15   9.807   0.383   2.936
  118    HA   THR  15           HA       THR  15   7.664   2.426   3.184
  119    HB   THR  15           HB       THR  15   9.066   1.290   0.757
  120    HG1  THR  15           HG1      THR  15  10.472   2.353   1.880
  121   HG21  THR  15          HG21      THR  15   6.815   2.287   0.218
  122   HG22  THR  15          HG22      THR  15   7.387   3.813   0.931
  123   HG23  THR  15          HG23      THR  15   8.190   3.127  -0.507
  124    H    VAL  16           H        VAL  16   5.526   1.844   3.162
  125    HA   VAL  16           HA       VAL  16   4.907  -0.998   2.663
  126    HB   VAL  16           HB       VAL  16   3.485   1.286   4.048
  127   HG11  VAL  16          HG11      VAL  16   1.658   0.147   2.878
  128   HG12  VAL  16          HG12      VAL  16   2.264  -1.440   3.412
  129   HG13  VAL  16          HG13      VAL  16   1.625  -0.274   4.589
  130   HG21  VAL  16          HG21      VAL  16   4.305  -1.526   4.906
  131   HG22  VAL  16          HG22      VAL  16   5.205  -0.031   5.276
  132   HG23  VAL  16          HG23      VAL  16   3.591  -0.282   5.954
  133    H    TYR  17           H        TYR  17   3.600  -1.777   1.157
  134    HA   TYR  17           HA       TYR  17   2.103  -0.031  -0.669
  135    HB2  TYR  17           HB2      TYR  17   3.117  -1.013  -2.675
  136    HB3  TYR  17           HB3      TYR  17   4.319  -0.172  -1.728
  137    HD1  TYR  17           HD1      TYR  17   5.942  -1.428  -0.323
  138    HD2  TYR  17           HD2      TYR  17   3.392  -3.432  -3.167
  139    HE1  TYR  17           HE1      TYR  17   7.507  -3.324  -0.360
  140    HE2  TYR  17           HE2      TYR  17   4.973  -5.376  -3.203
  141    HH   TYR  17           HH       TYR  17   8.030  -5.336  -1.385
  142    H    TYR  18           H        TYR  18   0.885  -1.530  -2.259
  143    HA   TYR  18           HA       TYR  18   0.279  -4.186  -1.065
  144    HB2  TYR  18           HB2      TYR  18  -1.557  -2.234  -2.484
  145    HB3  TYR  18           HB3      TYR  18  -1.941  -3.911  -2.058
  146    HD1  TYR  18           HD2      TYR  18  -0.640  -0.794  -0.410
  147    HD2  TYR  18           HD1      TYR  18  -3.092  -4.316  -0.033
  148    HE1  TYR  18           HE2      TYR  18  -0.824  -0.376   1.945
  149    HE2  TYR  18           HE1      TYR  18  -3.595  -3.737   2.250
  150    HH   TYR  18           HH       TYR  18  -1.706  -1.193   4.012
  151    H    PHE  19           H        PHE  19   0.184  -5.911  -2.369
  152    HA   PHE  19           HA       PHE  19   1.407  -5.670  -5.080
  153    HB2  PHE  19           HB2      PHE  19   2.841  -6.407  -3.274
  154    HB3  PHE  19           HB3      PHE  19   1.691  -7.649  -2.798
  155    HD1  PHE  19           HD1      PHE  19   1.286  -9.635  -4.306
  156    HD2  PHE  19           HD2      PHE  19   4.420  -6.758  -5.029
  157    HE1  PHE  19           HE1      PHE  19   2.521 -11.322  -5.652
  158    HE2  PHE  19           HE2      PHE  19   5.642  -8.398  -6.351
  159    HZ   PHE  19           HZ       PHE  19   4.689 -10.713  -6.703
  160    H    ASN  20           H        ASN  20   0.092  -6.342  -6.700
  161    HA   ASN  20           HA       ASN  20  -2.247  -7.950  -6.327
  162    HB2  ASN  20           HB2      ASN  20  -1.858  -6.320  -8.178
  163    HB3  ASN  20           HB3      ASN  20  -0.683  -7.423  -8.866
  164   HD21  ASN  20          HD22      ASN  20  -3.947  -6.509  -9.119
  165   HD22  ASN  20          HD21      ASN  20  -4.513  -8.063  -9.697
  166    H    HIS  21           H        HIS  21  -1.943  -9.994  -5.405
  167    HA   HIS  21           HA       HIS  21   0.419 -11.541  -6.119
  168    HB2  HIS  21           HB2      HIS  21  -0.399 -13.180  -4.579
  169    HB3  HIS  21           HB3      HIS  21  -0.524 -11.578  -3.872
  170    HD2  HIS  21           HD2      HIS  21  -2.902 -14.142  -5.627
  171    HE1  HIS  21           HE1      HIS  21  -5.245 -11.693  -3.032
  172    HE2  HIS  21           HE2      HIS  21  -5.306 -13.681  -4.641
  173    H    ILE  22           H        ILE  22  -2.137 -10.967  -8.061
  174    HA   ILE  22           HA       ILE  22  -2.219 -13.686  -9.242
  175    HB   ILE  22           HB       ILE  22  -3.818 -11.272 -10.147
  176   HG12  ILE  22          HG12      ILE  22  -4.696 -13.258  -7.999
  177   HG13  ILE  22          HG13      ILE  22  -4.294 -11.565  -7.711
  178   HG21  ILE  22          HG21      ILE  22  -4.342 -14.265 -10.345
  179   HG22  ILE  22          HG22      ILE  22  -5.314 -12.971 -11.079
  180   HG23  ILE  22          HG23      ILE  22  -3.675 -13.255 -11.642
  181   HD11  ILE  22          HD11      ILE  22  -6.650 -11.705  -7.745
  182   HD12  ILE  22          HD12      ILE  22  -6.146 -10.861  -9.218
  183   HD13  ILE  22          HD13      ILE  22  -6.669 -12.564  -9.294
  184    H    THR  23           H        THR  23  -1.152 -10.330  -9.861
  185    HA   THR  23           HA       THR  23   0.128 -11.215 -12.420
  186    HB   THR  23           HB       THR  23  -0.019  -8.947 -13.164
  187    HG1  THR  23           HG1      THR  23  -1.157  -7.453 -11.763
  188   HG21  THR  23          HG21      THR  23  -2.705  -9.583 -11.879
  189   HG22  THR  23          HG22      THR  23  -2.395  -8.579 -13.311
  190   HG23  THR  23          HG23      THR  23  -2.103 -10.326 -13.376
  191    H    ASN  24           H        ASN  24   0.983 -10.046  -9.254
  192    HA   ASN  24           HA       ASN  24   2.845  -9.611  -8.245
  193    HB2  ASN  24           HB2      ASN  24   4.465  -9.640 -10.810
  194    HB3  ASN  24           HB3      ASN  24   5.062  -9.692  -9.163
  195   HD21  ASN  24          HD22      ASN  24   3.479 -11.533 -11.688
  196   HD22  ASN  24          HD21      ASN  24   3.785 -13.115 -10.939
  197    H    ALA  25           H        ALA  25   1.208  -7.549 -10.244
  198    HA   ALA  25           HA       ALA  25   3.010  -5.319 -10.336
  199    HB1  ALA  25           HB1      ALA  25   0.974  -4.029 -10.857
  200    HB2  ALA  25           HB2      ALA  25   1.015  -5.550 -11.769
  201    HB3  ALA  25           HB3      ALA  25  -0.039  -5.394 -10.343
  202    H    SER  26           H        SER  26   3.657  -3.883  -8.780
  203    HA   SER  26           HA       SER  26   2.382  -3.959  -6.104
  204    HB2  SER  26           HB2      SER  26   4.591  -3.190  -5.343
  205    HB3  SER  26           HB3      SER  26   4.724  -4.696  -6.260
  206    HG   SER  26           HG       SER  26   4.945  -2.148  -7.486
  207    H    GLN  27           H        GLN  27   1.321  -2.159  -5.345
  208    HA   GLN  27           HA       GLN  27   2.119   0.496  -6.361
  209    HB2  GLN  27           HB2      GLN  27   0.328  -0.375  -7.860
  210    HB3  GLN  27           HB3      GLN  27  -0.738  -0.576  -6.470
  211    HG2  GLN  27           HG2      GLN  27  -1.226   1.454  -7.821
  212    HG3  GLN  27           HG3      GLN  27  -0.856   1.837  -6.150
  213   HE21  GLN  27          HE22      GLN  27   0.299   2.185  -9.530
  214   HE22  GLN  27          HE21      GLN  27   1.601   3.262  -9.051
  215    H    PHE  28           H        PHE  28   1.549   2.230  -5.046
  216    HA   PHE  28           HA       PHE  28   1.484   1.654  -2.207
  217    HB2  PHE  28           HB2      PHE  28   1.530   4.288  -3.714
  218    HB3  PHE  28           HB3      PHE  28   1.906   4.046  -2.005
  219    HD1  PHE  28           HD2      PHE  28   3.783   2.299  -1.442
  220    HD2  PHE  28           HD1      PHE  28   3.322   4.201  -5.284
  221    HE1  PHE  28           HE2      PHE  28   6.122   1.759  -1.987
  222    HE2  PHE  28           HE1      PHE  28   5.695   3.686  -5.813
  223    HZ   PHE  28           HZ       PHE  28   7.109   2.476  -4.165
  224    H    GLU  29           H        GLU  29  -1.076   1.539  -4.190
  225    HA   GLU  29           HA       GLU  29  -2.886   3.330  -2.811
  226    HB2  GLU  29           HB2      GLU  29  -3.074   2.821  -5.242
  227    HB3  GLU  29           HB3      GLU  29  -3.625   1.203  -4.801
  228    HG2  GLU  29           HG2      GLU  29  -5.538   2.626  -5.266
  229    HG3  GLU  29           HG3      GLU  29  -5.515   2.193  -3.557
  230    H    ARG  30           H        ARG  30  -3.474   3.002  -0.821
  231    HA   ARG  30           HA       ARG  30  -3.619   0.268   0.229
  232    HB2  ARG  30           HB2      ARG  30  -2.862   1.106   2.289
  233    HB3  ARG  30           HB3      ARG  30  -1.819   1.735   1.044
  234    HG2  ARG  30           HG2      ARG  30  -4.033   3.365   2.388
  235    HG3  ARG  30           HG3      ARG  30  -2.386   3.217   2.977
  236    HD2  ARG  30           HD2      ARG  30  -2.117   5.154   1.870
  237    HD3  ARG  30           HD3      ARG  30  -1.707   4.052   0.558
  238    HE   ARG  30           HE       ARG  30  -4.525   5.129   0.889
  239   HH11  ARG  30          HH12      ARG  30  -1.750   4.828  -1.396
  240   HH12  ARG  30          HH11      ARG  30  -2.885   5.436  -2.622
  241   HH21  ARG  30          HH21      ARG  30  -5.538   5.919  -0.681
  242   HH22  ARG  30          HH22      ARG  30  -4.816   5.875  -2.340
  243    HA   PRO  31           HA       PRO  31  -7.837   0.290   1.557
  244    HB2  PRO  31           HB2      PRO  31  -6.807  -0.156   4.366
  245    HB3  PRO  31           HB3      PRO  31  -8.117  -1.018   3.497
  246    HG2  PRO  31           HG2      PRO  31  -5.666  -2.160   3.674
  247    HG3  PRO  31           HG3      PRO  31  -6.535  -2.163   2.114
  248    HD2  PRO  31           HD2      PRO  31  -4.365  -0.291   3.053
  249    HD3  PRO  31           HD3      PRO  31  -4.528  -1.146   1.479
  250    H    SER  32           H        SER  32  -9.390   1.178   3.174
  251    HA   SER  32           HA       SER  32 -10.542   2.835   4.081
  252    HB2  SER  32           HB2      SER  32  -7.913   3.579   5.383
  253    HB3  SER  32           HB3      SER  32  -9.534   4.058   5.925
  254    HG   SER  32           HG       SER  32  -8.762   2.189   7.014
  255    H    GLY  33           H        GLY  33  -7.698   4.189   2.463
  256    HA2  GLY  33           HA2      GLY  33  -9.368   6.289   1.234
  257    HA3  GLY  33           HA3      GLY  33  -8.103   6.862   2.336
  258    H1   NAG 101           H1       NAG  34  11.157   1.152  -0.471
  259    H2   NAG 101           H2       NAG  34  12.259   3.439  -2.183
  260    H3   NAG 101           H3       NAG  34   9.706   1.740  -2.172
  261    H4   NAG 101           H4       NAG  34  11.978   2.096  -4.167
  262    H5   NAG 101           H5       NAG  34  11.147  -0.302  -2.491
  263    H61  NAG 101           H61      NAG  34  13.050  -1.482  -3.262
  264    H62  NAG 101           H62      NAG  34  12.315  -0.822  -4.726
  265    H81  NAG 101           H2M      NAG  34  10.535   5.997   0.833
  266    H82  NAG 101           H3M      NAG  34   8.912   5.838   0.122
  267    H83  NAG 101           H1M      NAG  34  10.002   7.130  -0.427
  268    HN2  NAG 101           H2N      NAG  34  10.521   3.615   0.148
  269    HO3  NAG 101           H3O      NAG  34  10.080   4.268  -3.147
  270    HO4  NAG 101           H4O      NAG  34   9.725   1.724  -4.793
  271    HO6  NAG 101           H6O      NAG  34  14.336   0.510  -3.214
  Start of MODEL   16
    1    H1   LYS   1           H1       LYS   1 -11.829  -5.710   3.057
    2    H2   LYS   1           H2       LYS   1 -10.653  -4.979   3.849
    3    H3   LYS   1           H3       LYS   1 -11.646  -6.019   4.677
    4    HA   LYS   1           HA       LYS   1  -9.524  -7.084   4.267
    5    HB2  LYS   1           HB2      LYS   1 -10.433  -9.150   3.131
    6    HB3  LYS   1           HB3      LYS   1 -11.298  -8.549   4.517
    7    HG2  LYS   1           HG2      LYS   1 -12.895  -9.303   2.938
    8    HG3  LYS   1           HG3      LYS   1 -13.048  -7.572   3.102
    9    HD2  LYS   1           HD2      LYS   1 -13.401  -8.102   0.844
   10    HD3  LYS   1           HD3      LYS   1 -11.851  -7.297   0.887
   11    HE2  LYS   1           HE2      LYS   1 -11.815 -10.303   1.118
   12    HE3  LYS   1           HE3      LYS   1 -12.438  -9.659  -0.403
   13    HZ1  LYS   1           HZ1      LYS   1 -10.059  -9.991  -0.579
   14    HZ2  LYS   1           HZ2      LYS   1 -10.383  -8.358  -0.620
   15    HZ3  LYS   1           HZ3      LYS   1  -9.770  -8.987   0.711
   16    H    LEU   2           H        LEU   2  -9.697  -4.779   2.170
   17    HA   LEU   2           HA       LEU   2  -8.722  -4.051   0.431
   18    HB2  LEU   2           HB2      LEU   2  -6.975  -6.490   0.749
   19    HB3  LEU   2           HB3      LEU   2  -6.838  -5.510  -0.677
   20    HG   LEU   2           HG       LEU   2  -5.128  -4.955   0.885
   21   HD11  LEU   2          HD11      LEU   2  -7.074  -2.628   0.705
   22   HD12  LEU   2          HD12      LEU   2  -5.315  -2.557   0.890
   23   HD13  LEU   2          HD13      LEU   2  -6.013  -3.204  -0.605
   24   HD21  LEU   2          HD21      LEU   2  -5.466  -3.880   2.999
   25   HD22  LEU   2          HD22      LEU   2  -7.235  -3.950   2.825
   26   HD23  LEU   2          HD23      LEU   2  -6.291  -5.451   3.014
   27    HA   PRO   3           HA       PRO   3 -10.854  -5.482  -3.180
   28    HB2  PRO   3           HB2      PRO   3  -8.601  -4.362  -4.827
   29    HB3  PRO   3           HB3      PRO   3 -10.354  -4.048  -4.953
   30    HG2  PRO   3           HG2      PRO   3  -8.689  -2.220  -3.841
   31    HG3  PRO   3           HG3      PRO   3 -10.302  -2.551  -3.126
   32    HD2  PRO   3           HD2      PRO   3  -7.610  -3.639  -2.265
   33    HD3  PRO   3           HD3      PRO   3  -8.917  -2.927  -1.271
   34    HA   PRO   4           HA       PRO   4  -9.700  -9.396  -4.612
   35    HB2  PRO   4           HB2      PRO   4  -9.591  -8.376  -7.461
   36    HB3  PRO   4           HB3      PRO   4 -10.293  -9.905  -6.835
   37    HG2  PRO   4           HG2      PRO   4 -11.897  -7.780  -7.269
   38    HG3  PRO   4           HG3      PRO   4 -12.071  -8.715  -5.749
   39    HD2  PRO   4           HD2      PRO   4 -10.672  -6.079  -6.192
   40    HD3  PRO   4           HD3      PRO   4 -11.721  -6.593  -4.837
   41    H    GLY   5           H        GLY   5  -7.767  -9.889  -3.741
   42    HA2  GLY   5           HA2      GLY   5  -5.711 -10.947  -3.995
   43    HA3  GLY   5           HA3      GLY   5  -5.502 -10.196  -5.578
   44    H    TRP   6           H        TRP   6  -6.268  -7.589  -3.610
   45    HA   TRP   6           HA       TRP   6  -3.466  -6.761  -3.512
   46    HB2  TRP   6           HB2      TRP   6  -6.113  -5.425  -2.898
   47    HB3  TRP   6           HB3      TRP   6  -4.562  -4.663  -2.609
   48    HD1  TRP   6           HD1      TRP   6  -6.920  -5.597  -5.407
   49    HE1  TRP   6           HE1      TRP   6  -6.150  -4.472  -7.600
   50    HE3  TRP   6           HE3      TRP   6  -2.290  -4.033  -3.927
   51    HZ2  TRP   6           HZ2      TRP   6  -3.791  -3.152  -8.597
   52    HZ3  TRP   6           HZ3      TRP   6  -0.764  -2.936  -5.550
   53    HH2  TRP   6           HH2      TRP   6  -1.509  -2.464  -7.864
   54    H    GLU   7           H        GLU   7  -2.202  -6.462  -1.717
   55    HA   GLU   7           HA       GLU   7  -3.371  -6.498   0.984
   56    HB2  GLU   7           HB2      GLU   7  -2.884  -8.895  -0.030
   57    HB3  GLU   7           HB3      GLU   7  -1.219  -8.492   0.286
   58    HG2  GLU   7           HG2      GLU   7  -3.442  -8.424   2.385
   59    HG3  GLU   7           HG3      GLU   7  -2.528  -9.883   2.013
   60    H    LYS   8           H        LYS   8  -1.582  -6.040   2.649
   61    HA   LYS   8           HA       LYS   8   0.014  -3.754   1.793
   62    HB2  LYS   8           HB2      LYS   8  -1.043  -3.487   3.814
   63    HB3  LYS   8           HB3      LYS   8  -0.829  -5.118   4.347
   64    HG2  LYS   8           HG2      LYS   8   1.411  -3.071   4.266
   65    HG3  LYS   8           HG3      LYS   8   0.353  -3.344   5.636
   66    HD2  LYS   8           HD2      LYS   8   2.509  -5.208   4.605
   67    HD3  LYS   8           HD3      LYS   8   2.364  -4.405   6.134
   68    HE2  LYS   8           HE2      LYS   8   1.908  -6.593   6.651
   69    HE3  LYS   8           HE3      LYS   8   0.303  -5.861   6.618
   70    HZ1  LYS   8           HZ1      LYS   8  -0.233  -7.072   4.685
   71    HZ2  LYS   8           HZ2      LYS   8   1.274  -7.148   4.143
   72    HZ3  LYS   8           HZ3      LYS   8   0.779  -8.125   5.377
   73    H    ARG   9           H        ARG   9   2.208  -3.534   1.713
   74    HA   ARG   9           HA       ARG   9   3.983  -5.811   2.471
   75    HB2  ARG   9           HB2      ARG   9   4.124  -4.251  -0.117
   76    HB3  ARG   9           HB3      ARG   9   5.333  -5.419   0.419
   77    HG2  ARG   9           HG2      ARG   9   2.542  -5.987  -0.551
   78    HG3  ARG   9           HG3      ARG   9   4.062  -6.316  -1.338
   79    HD2  ARG   9           HD2      ARG   9   4.227  -8.331  -0.492
   80    HD3  ARG   9           HD3      ARG   9   4.336  -7.655   1.117
   81    HE   ARG   9           HE       ARG   9   1.961  -7.921   1.423
   82   HH11  ARG   9          HH11      ARG   9   2.916  -9.423  -1.638
   83   HH12  ARG   9          HH12      ARG   9   1.619 -10.604  -1.503
   84   HH21  ARG   9          HH21      ARG   9   0.452  -9.570   1.532
   85   HH22  ARG   9          HH22      ARG   9   0.235 -10.585   0.092
   86    H    MET  10           H        MET  10   6.332  -5.066   2.329
   87    HA   MET  10           HA       MET  10   6.862  -2.237   2.829
   88    HB2  MET  10           HB2      MET  10   6.017  -3.178   4.987
   89    HB3  MET  10           HB3      MET  10   7.319  -4.366   4.967
   90    HG2  MET  10           HG2      MET  10   8.991  -2.620   5.186
   91    HG3  MET  10           HG3      MET  10   7.778  -1.358   4.910
   92    HE1  MET  10           HE1      MET  10   8.588  -0.712   8.679
   93    HE2  MET  10           HE2      MET  10   9.775  -1.283   7.489
   94    HE3  MET  10           HE3      MET  10   8.567  -0.051   7.030
   95    H    PHE  11           H        PHE  11   8.658  -1.877   1.666
   96    HA   PHE  11           HA       PHE  11  10.453  -3.918   0.690
   97    HB2  PHE  11           HB2      PHE  11  10.498  -0.908   0.729
   98    HB3  PHE  11           HB3      PHE  11  11.795  -1.855   0.033
   99    HD1  PHE  11           HD2      PHE  11  11.098  -3.719  -1.708
  100    HD2  PHE  11           HD1      PHE  11   8.722  -0.217  -0.778
  101    HE1  PHE  11           HE2      PHE  11  10.000  -3.859  -3.926
  102    HE2  PHE  11           HE1      PHE  11   7.686  -0.364  -3.024
  103    HZ   PHE  11           HZ       PHE  11   8.318  -2.147  -4.587
  104    H    ALA  12           H        ALA  12  12.753  -4.116   1.183
  105    HA   ALA  12           HA       ALA  12  13.367  -4.288   3.912
  106    HB1  ALA  12           HB1      ALA  12  15.614  -4.885   3.097
  107    HB2  ALA  12           HB2      ALA  12  14.357  -5.668   2.123
  108    HB3  ALA  12           HB3      ALA  12  15.220  -4.244   1.489
  109    H    ASN  13           H        ASN  13  13.551  -1.437   1.962
  110    HA   ASN  13           HA       ASN  13  15.432  -0.045   3.766
  111    HB2  ASN  13           HB2      ASN  13  15.078   1.854   2.230
  112    HB3  ASN  13           HB3      ASN  13  15.574   0.400   1.366
  113   HD21  ASN  13          HD21      ASN  13  14.676   1.568  -0.564
  114    H    GLY  14           H        GLY  14  12.222  -0.972   4.060
  115    HA2  GLY  14           HA2      GLY  14  10.867  -0.391   5.839
  116    HA3  GLY  14           HA3      GLY  14  11.617   1.201   5.968
  117    H    THR  15           H        THR  15  10.587   0.243   2.701
  118    HA   THR  15           HA       THR  15   8.706   2.534   2.828
  119    HB   THR  15           HB       THR  15   9.822   1.061   0.442
  120    HG1  THR  15           HG1      THR  15  11.438   1.963   1.446
  121   HG21  THR  15          HG21      THR  15   8.598   3.832   0.534
  122   HG22  THR  15          HG22      THR  15   9.155   2.916  -0.892
  123   HG23  THR  15          HG23      THR  15   7.712   2.392  -0.006
  124    H    VAL  16           H        VAL  16   6.555   2.196   3.042
  125    HA   VAL  16           HA       VAL  16   5.524  -0.545   2.669
  126    HB   VAL  16           HB       VAL  16   4.552   1.922   4.123
  127   HG11  VAL  16          HG11      VAL  16   2.540   0.651   4.839
  128   HG12  VAL  16          HG12      VAL  16   2.489   1.040   3.122
  129   HG13  VAL  16          HG13      VAL  16   2.910  -0.609   3.646
  130   HG21  VAL  16          HG21      VAL  16   5.017  -0.977   4.957
  131   HG22  VAL  16          HG22      VAL  16   6.169   0.361   5.221
  132   HG23  VAL  16          HG23      VAL  16   4.601   0.369   6.039
  133    H    TYR  17           H        TYR  17   3.906  -1.137   1.374
  134    HA   TYR  17           HA       TYR  17   2.598   0.717  -0.469
  135    HB2  TYR  17           HB2      TYR  17   3.450  -0.356  -2.487
  136    HB3  TYR  17           HB3      TYR  17   4.776   0.309  -1.564
  137    HD1  TYR  17           HD1      TYR  17   6.244  -1.150  -0.191
  138    HD2  TYR  17           HD2      TYR  17   3.437  -2.799  -3.045
  139    HE1  TYR  17           HE1      TYR  17   7.615  -3.177  -0.344
  140    HE2  TYR  17           HE2      TYR  17   4.809  -4.841  -3.185
  141    HH   TYR  17           HH       TYR  17   7.954  -5.141  -1.559
  142    H    TYR  18           H        TYR  18   1.224  -0.720  -2.053
  143    HA   TYR  18           HA       TYR  18   0.341  -3.226  -0.686
  144    HB2  TYR  18           HB2      TYR  18  -1.321  -1.301  -2.345
  145    HB3  TYR  18           HB3      TYR  18  -1.883  -2.815  -1.624
  146    HD1  TYR  18           HD2      TYR  18  -0.616   0.600  -0.905
  147    HD2  TYR  18           HD1      TYR  18  -2.331  -2.991   0.787
  148    HE1  TYR  18           HE2      TYR  18  -0.825   1.726   1.284
  149    HE2  TYR  18           HE1      TYR  18  -2.503  -1.873   2.975
  150    HH   TYR  18           HH       TYR  18  -2.221   0.104   4.146
  151    H    PHE  19           H        PHE  19   0.025  -5.010  -1.896
  152    HA   PHE  19           HA       PHE  19   1.066  -5.012  -4.698
  153    HB2  PHE  19           HB2      PHE  19   2.738  -5.648  -3.011
  154    HB3  PHE  19           HB3      PHE  19   1.658  -6.911  -2.411
  155    HD1  PHE  19           HD1      PHE  19   3.931  -5.891  -5.137
  156    HD2  PHE  19           HD2      PHE  19   1.335  -9.006  -3.665
  157    HE1  PHE  19           HE1      PHE  19   5.025  -7.511  -6.642
  158    HE2  PHE  19           HE2      PHE  19   2.488 -10.643  -5.153
  159    HZ   PHE  19           HZ       PHE  19   4.316  -9.903  -6.634
  160    H    ASN  20           H        ASN  20   0.009  -6.361  -6.075
  161    HA   ASN  20           HA       ASN  20  -2.383  -7.772  -5.053
  162    HB2  ASN  20           HB2      ASN  20  -2.597  -6.060  -6.857
  163    HB3  ASN  20           HB3      ASN  20  -1.594  -7.069  -7.883
  164   HD21  ASN  20          HD22      ASN  20  -4.760  -6.619  -6.486
  165   HD22  ASN  20          HD21      ASN  20  -5.527  -8.047  -7.113
  166    H    HIS  21           H        HIS  21  -1.627  -9.734  -4.257
  167    HA   HIS  21           HA       HIS  21   0.405 -11.201  -5.777
  168    HB2  HIS  21           HB2      HIS  21   0.250 -12.888  -3.949
  169    HB3  HIS  21           HB3      HIS  21   0.773 -11.287  -3.515
  170    HD2  HIS  21           HD2      HIS  21  -2.902 -12.592  -3.675
  171    HE1  HIS  21           HE1      HIS  21  -2.104 -11.314   0.305
  172    HE2  HIS  21           HE2      HIS  21  -3.887 -12.202  -1.265
  173    H    ILE  22           H        ILE  22  -2.336 -10.732  -6.981
  174    HA   ILE  22           HA       ILE  22  -2.631 -13.524  -7.998
  175    HB   ILE  22           HB       ILE  22  -4.683 -11.280  -7.873
  176   HG12  ILE  22          HG12      ILE  22  -4.489 -14.012  -6.522
  177   HG13  ILE  22          HG13      ILE  22  -4.367 -12.438  -5.741
  178   HG21  ILE  22          HG21      ILE  22  -4.936 -14.033  -9.163
  179   HG22  ILE  22          HG22      ILE  22  -6.269 -12.875  -8.930
  180   HG23  ILE  22          HG23      ILE  22  -4.959 -12.468 -10.008
  181   HD11  ILE  22          HD11      ILE  22  -6.855 -13.723  -6.898
  182   HD12  ILE  22          HD12      ILE  22  -6.524 -13.246  -5.229
  183   HD13  ILE  22          HD13      ILE  22  -6.776 -11.998  -6.467
  184    H    THR  23           H        THR  23  -1.609 -10.277  -8.700
  185    HA   THR  23           HA       THR  23  -1.248 -10.962 -11.602
  186    HB   THR  23           HB       THR  23  -1.716  -8.592 -12.109
  187    HG1  THR  23           HG1      THR  23  -2.596  -8.440  -9.433
  188   HG21  THR  23          HG21      THR  23  -4.118  -8.537 -11.760
  189   HG22  THR  23          HG22      THR  23  -3.620 -10.178 -12.216
  190   HG23  THR  23          HG23      THR  23  -4.023  -9.811 -10.527
  191    H    ASN  24           H        ASN  24   0.321  -9.851  -8.728
  192    HA   ASN  24           HA       ASN  24   2.310  -9.083  -8.246
  193    HB2  ASN  24           HB2      ASN  24   2.985 -10.680 -10.224
  194    HB3  ASN  24           HB3      ASN  24   3.314  -9.182 -11.090
  195   HD21  ASN  24          HD22      ASN  24   4.661  -7.567  -9.488
  196   HD22  ASN  24          HD21      ASN  24   6.118  -8.397  -8.889
  197    H    ALA  25           H        ALA  25  -0.011  -7.292  -9.656
  198    HA   ALA  25           HA       ALA  25   1.452  -4.888 -10.296
  199    HB1  ALA  25           HB1      ALA  25  -0.703  -3.780 -10.014
  200    HB2  ALA  25           HB2      ALA  25  -0.921  -5.296 -10.908
  201    HB3  ALA  25           HB3      ALA  25  -1.371  -5.202  -9.192
  202    H    SER  26           H        SER  26   1.702  -2.928  -8.944
  203    HA   SER  26           HA       SER  26   1.473  -3.234  -6.022
  204    HB2  SER  26           HB2      SER  26   3.810  -2.486  -5.688
  205    HB3  SER  26           HB3      SER  26   3.713  -4.093  -6.407
  206    HG   SER  26           HG       SER  26   3.902  -1.752  -7.998
  207    H    GLN  27           H        GLN  27   1.149  -1.281  -4.968
  208    HA   GLN  27           HA       GLN  27   1.802   1.236  -6.363
  209    HB2  GLN  27           HB2      GLN  27  -0.425   2.176  -6.079
  210    HB3  GLN  27           HB3      GLN  27  -0.453   0.762  -7.129
  211    HG2  GLN  27           HG2      GLN  27  -1.289  -0.608  -5.173
  212    HG3  GLN  27           HG3      GLN  27  -1.361   0.867  -4.216
  213   HE21  GLN  27          HE22      GLN  27  -3.227   2.170  -4.396
  214   HE22  GLN  27          HE21      GLN  27  -4.463   1.817  -5.623
  215    H    PHE  28           H        PHE  28   2.398   2.875  -5.053
  216    HA   PHE  28           HA       PHE  28   2.585   2.528  -2.167
  217    HB2  PHE  28           HB2      PHE  28   3.129   4.922  -3.971
  218    HB3  PHE  28           HB3      PHE  28   3.554   4.794  -2.265
  219    HD1  PHE  28           HD1      PHE  28   5.017   2.755  -1.549
  220    HD2  PHE  28           HD2      PHE  28   4.764   4.258  -5.587
  221    HE1  PHE  28           HE1      PHE  28   7.143   1.639  -2.102
  222    HE2  PHE  28           HE2      PHE  28   6.920   3.155  -6.125
  223    HZ   PHE  28           HZ       PHE  28   8.123   1.850  -4.385
  224    H    GLU  29           H        GLU  29   0.434   4.275  -4.422
  225    HA   GLU  29           HA       GLU  29  -0.990   5.867  -2.518
  226    HB2  GLU  29           HB2      GLU  29  -1.423   4.830  -5.328
  227    HB3  GLU  29           HB3      GLU  29  -2.826   5.433  -4.457
  228    HG2  GLU  29           HG2      GLU  29  -0.278   7.065  -4.806
  229    HG3  GLU  29           HG3      GLU  29  -1.662   7.139  -5.906
  230    H    ARG  30           H        ARG  30  -1.913   4.970  -0.731
  231    HA   ARG  30           HA       ARG  30  -2.522   2.291  -0.576
  232    HB2  ARG  30           HB2      ARG  30  -3.191   2.513   1.578
  233    HB3  ARG  30           HB3      ARG  30  -1.929   3.700   1.316
  234    HG2  ARG  30           HG2      ARG  30  -4.891   4.218   1.740
  235    HG3  ARG  30           HG3      ARG  30  -3.546   4.415   2.863
  236    HD2  ARG  30           HD2      ARG  30  -4.112   6.606   2.139
  237    HD3  ARG  30           HD3      ARG  30  -2.590   6.183   1.332
  238    HE   ARG  30           HE       ARG  30  -4.991   5.493  -0.182
  239   HH11  ARG  30          HH11      ARG  30  -2.523   7.993   0.121
  240   HH12  ARG  30          HH12      ARG  30  -2.481   8.208  -1.628
  241   HH21  ARG  30          HH21      ARG  30  -5.163   6.083  -2.215
  242   HH22  ARG  30          HH22      ARG  30  -4.137   7.372  -2.870
  243    HA   PRO  31           HA       PRO  31  -6.698   2.119  -2.344
  244    HB2  PRO  31           HB2      PRO  31  -6.883  -0.567  -2.628
  245    HB3  PRO  31           HB3      PRO  31  -5.782   0.397  -3.654
  246    HG2  PRO  31           HG2      PRO  31  -5.102  -1.237  -1.209
  247    HG3  PRO  31           HG3      PRO  31  -4.216  -1.141  -2.759
  248    HD2  PRO  31           HD2      PRO  31  -3.686   0.313  -0.415
  249    HD3  PRO  31           HD3      PRO  31  -3.094   0.757  -2.042
  250    H    SER  32           H        SER  32  -8.698   0.512  -1.547
  251    HA   SER  32           HA       SER  32  -8.479  -0.424   1.169
  252    HB2  SER  32           HB2      SER  32 -10.110   2.079   0.591
  253    HB3  SER  32           HB3      SER  32 -10.417   1.025   1.988
  254    HG   SER  32           HG       SER  32  -7.761   1.751   1.538
  255    H    GLY  33           H        GLY  33 -10.438  -1.523   1.891
  256    HA2  GLY  33           HA2      GLY  33 -12.799  -2.151   0.819
  257    HA3  GLY  33           HA3      GLY  33 -11.679  -3.015  -0.254
  258    H1   NAG 101           H1       NAG  34  11.876   0.616  -0.811
  259    H2   NAG 101           H2       NAG  34  13.185   2.639  -2.698
  260    H3   NAG 101           H3       NAG  34  10.449   1.268  -2.501
  261    H4   NAG 101           H4       NAG  34  12.676   1.228  -4.576
  262    H5   NAG 101           H5       NAG  34  11.634  -0.954  -2.733
  263    H61  NAG 101           H61      NAG  34  13.395  -2.376  -3.471
  264    H62  NAG 101           H62      NAG  34  12.653  -1.753  -4.948
  265    H81  NAG 101           H2M      NAG  34  10.218   5.610  -0.519
  266    H82  NAG 101           H3M      NAG  34  11.502   6.684  -1.117
  267    H83  NAG 101           H1M      NAG  34  11.843   5.546   0.204
  268    HN2  NAG 101           H2N      NAG  34  11.571   3.177  -0.337
  269    HO3  NAG 101           H3O      NAG  34  11.089   3.666  -3.653
  270    HO4  NAG 101           H4O      NAG  34  10.393   1.093  -5.137
  271    HO6  NAG 101           H6O      NAG  34  14.878  -0.543  -3.628
  Start of MODEL   17
    1    H1   LYS   1           H1       LYS   1  -4.667  -7.904   4.027
    2    H2   LYS   1           H2       LYS   1  -4.725  -7.942   5.672
    3    H3   LYS   1           H3       LYS   1  -4.263  -6.571   4.860
    4    HA   LYS   1           HA       LYS   1  -6.941  -7.807   4.744
    5    HB2  LYS   1           HB2      LYS   1  -6.583  -6.769   6.940
    6    HB3  LYS   1           HB3      LYS   1  -5.923  -5.333   6.181
    7    HG2  LYS   1           HG2      LYS   1  -8.414  -5.278   5.040
    8    HG3  LYS   1           HG3      LYS   1  -8.789  -6.233   6.448
    9    HD2  LYS   1           HD2      LYS   1  -9.235  -3.794   6.688
   10    HD3  LYS   1           HD3      LYS   1  -8.165  -4.437   7.925
   11    HE2  LYS   1           HE2      LYS   1  -7.492  -2.183   7.128
   12    HE3  LYS   1           HE3      LYS   1  -6.235  -3.399   6.952
   13    HZ1  LYS   1           HZ1      LYS   1  -7.876  -2.261   4.737
   14    HZ2  LYS   1           HZ2      LYS   1  -6.274  -2.100   4.991
   15    HZ3  LYS   1           HZ3      LYS   1  -6.863  -3.559   4.559
   16    H    LEU   2           H        LEU   2  -6.988  -7.740   2.381
   17    HA   LEU   2           HA       LEU   2  -8.117  -5.219   1.512
   18    HB2  LEU   2           HB2      LEU   2  -5.558  -6.340   0.368
   19    HB3  LEU   2           HB3      LEU   2  -6.674  -5.552  -0.705
   20    HG   LEU   2           HG       LEU   2  -5.006  -4.334   1.492
   21   HD11  LEU   2          HD11      LEU   2  -4.097  -4.478  -0.776
   22   HD12  LEU   2          HD12      LEU   2  -5.543  -3.675  -1.433
   23   HD13  LEU   2          HD13      LEU   2  -4.465  -2.787  -0.367
   24   HD21  LEU   2          HD21      LEU   2  -6.121  -2.187   1.238
   25   HD22  LEU   2          HD22      LEU   2  -7.328  -2.890   0.125
   26   HD23  LEU   2          HD23      LEU   2  -7.285  -3.330   1.846
   27    HA   PRO   3           HA       PRO   3 -10.861  -7.689  -0.831
   28    HB2  PRO   3           HB2      PRO   3  -9.951  -6.243  -3.327
   29    HB3  PRO   3           HB3      PRO   3 -11.618  -6.645  -2.805
   30    HG2  PRO   3           HG2      PRO   3 -10.648  -4.157  -2.398
   31    HG3  PRO   3           HG3      PRO   3 -11.554  -4.977  -1.083
   32    HD2  PRO   3           HD2      PRO   3  -8.567  -4.694  -1.423
   33    HD3  PRO   3           HD3      PRO   3  -9.560  -4.491   0.052
   34    HA   PRO   4           HA       PRO   4  -8.619 -11.279  -2.060
   35    HB2  PRO   4           HB2      PRO   4 -10.941 -11.694  -3.966
   36    HB3  PRO   4           HB3      PRO   4 -10.086 -12.902  -2.950
   37    HG2  PRO   4           HG2      PRO   4 -12.398 -11.807  -2.084
   38    HG3  PRO   4           HG3      PRO   4 -11.017 -11.975  -0.950
   39    HD2  PRO   4           HD2      PRO   4 -11.974  -9.509  -2.401
   40    HD3  PRO   4           HD3      PRO   4 -11.356  -9.696  -0.730
   41    H    GLY   5           H        GLY   5  -6.776 -10.703  -3.014
   42    HA2  GLY   5           HA2      GLY   5  -5.664 -11.478  -5.214
   43    HA3  GLY   5           HA3      GLY   5  -6.670 -10.228  -5.957
   44    H    TRP   6           H        TRP   6  -6.462  -8.243  -3.841
   45    HA   TRP   6           HA       TRP   6  -3.612  -7.441  -4.134
   46    HB2  TRP   6           HB2      TRP   6  -6.059  -5.963  -4.332
   47    HB3  TRP   6           HB3      TRP   6  -5.215  -5.414  -2.904
   48    HD1  TRP   6           HD1      TRP   6  -2.613  -4.626  -3.300
   49    HE1  TRP   6           HE1      TRP   6  -1.474  -3.459  -5.300
   50    HE3  TRP   6           HE3      TRP   6  -6.151  -5.564  -6.865
   51    HZ2  TRP   6           HZ2      TRP   6  -2.024  -3.067  -8.111
   52    HZ3  TRP   6           HZ3      TRP   6  -5.829  -4.763  -9.203
   53    HH2  TRP   6           HH2      TRP   6  -3.764  -3.538  -9.832
   54    H    GLU   7           H        GLU   7  -2.301  -6.970  -2.325
   55    HA   GLU   7           HA       GLU   7  -3.571  -6.930   0.317
   56    HB2  GLU   7           HB2      GLU   7  -1.833  -9.155  -0.610
   57    HB3  GLU   7           HB3      GLU   7  -1.304  -8.418   0.884
   58    HG2  GLU   7           HG2      GLU   7  -4.015  -9.672   0.371
   59    HG3  GLU   7           HG3      GLU   7  -2.740 -10.250   1.437
   60    H    LYS   8           H        LYS   8  -2.180  -6.273   2.059
   61    HA   LYS   8           HA       LYS   8  -0.488  -3.952   1.292
   62    HB2  LYS   8           HB2      LYS   8  -2.153  -3.892   3.185
   63    HB3  LYS   8           HB3      LYS   8  -1.174  -5.092   4.038
   64    HG2  LYS   8           HG2      LYS   8   0.787  -3.426   3.879
   65    HG3  LYS   8           HG3      LYS   8  -0.372  -2.237   3.292
   66    HD2  LYS   8           HD2      LYS   8  -0.412  -3.692   5.969
   67    HD3  LYS   8           HD3      LYS   8   0.066  -2.016   5.725
   68    HE2  LYS   8           HE2      LYS   8  -2.712  -3.075   5.051
   69    HE3  LYS   8           HE3      LYS   8  -2.296  -2.453   6.648
   70    HZ1  LYS   8           HZ1      LYS   8  -3.335  -0.873   4.978
   71    HZ2  LYS   8           HZ2      LYS   8  -2.006  -0.314   5.790
   72    HZ3  LYS   8           HZ3      LYS   8  -1.885  -0.794   4.230
   73    H    ARG   9           H        ARG   9   1.704  -3.907   1.352
   74    HA   ARG   9           HA       ARG   9   3.295  -6.137   2.569
   75    HB2  ARG   9           HB2      ARG   9   3.925  -4.679  -0.006
   76    HB3  ARG   9           HB3      ARG   9   4.875  -5.982   0.691
   77    HG2  ARG   9           HG2      ARG   9   2.189  -6.223  -0.671
   78    HG3  ARG   9           HG3      ARG   9   3.765  -6.597  -1.333
   79    HD2  ARG   9           HD2      ARG   9   2.825  -8.661  -0.862
   80    HD3  ARG   9           HD3      ARG   9   4.102  -8.399   0.339
   81    HE   ARG   9           HE       ARG   9   1.851  -7.482   1.622
   82   HH11  ARG   9          HH12      ARG   9   2.384 -10.596   0.120
   83   HH12  ARG   9          HH11      ARG   9   1.236 -11.381   1.177
   84   HH21  ARG   9          HH22      ARG   9   0.493  -8.394   2.829
   85   HH22  ARG   9          HH21      ARG   9   0.141 -10.121   2.768
   86    H    MET  10           H        MET  10   5.709  -5.347   2.591
   87    HA   MET  10           HA       MET  10   6.094  -2.499   2.611
   88    HB2  MET  10           HB2      MET  10   6.915  -2.298   4.889
   89    HB3  MET  10           HB3      MET  10   5.235  -2.830   4.899
   90    HG2  MET  10           HG2      MET  10   6.011  -5.179   5.278
   91    HG3  MET  10           HG3      MET  10   7.672  -4.575   5.389
   92    HE1  MET  10           HE1      MET  10   7.998  -5.734   7.709
   93    HE2  MET  10           HE2      MET  10   6.882  -5.545   9.080
   94    HE3  MET  10           HE3      MET  10   6.342  -6.379   7.606
   95    H    PHE  11           H        PHE  11   8.111  -1.953   2.151
   96    HA   PHE  11           HA       PHE  11  10.102  -3.937   1.382
   97    HB2  PHE  11           HB2      PHE  11  10.001  -0.896   1.431
   98    HB3  PHE  11           HB3      PHE  11  11.405  -1.807   0.912
   99    HD1  PHE  11           HD1      PHE  11  11.037  -3.643  -0.917
  100    HD2  PHE  11           HD2      PHE  11   8.423  -0.266  -0.262
  101    HE1  PHE  11           HE1      PHE  11  10.161  -3.880  -3.224
  102    HE2  PHE  11           HE2      PHE  11   7.580  -0.514  -2.599
  103    HZ   PHE  11           HZ       PHE  11   8.431  -2.302  -4.060
  104    H    ALA  12           H        ALA  12  11.915  -4.557   2.596
  105    HA   ALA  12           HA       ALA  12  12.332  -3.781   5.300
  106    HB1  ALA  12           HB1      ALA  12  13.229  -5.847   4.283
  107    HB2  ALA  12           HB2      ALA  12  14.297  -4.880   3.235
  108    HB3  ALA  12           HB3      ALA  12  14.526  -4.870   4.997
  109    H    ASN  13           H        ASN  13  13.230  -2.251   2.305
  110    HA   ASN  13           HA       ASN  13  15.051  -0.247   3.293
  111    HB2  ASN  13           HB2      ASN  13  15.026  -1.016   0.990
  112    HB3  ASN  13           HB3      ASN  13  13.336  -0.612   0.803
  113   HD21  ASN  13          HD21      ASN  13  14.236   2.732  -0.154
  114    H    GLY  14           H        GLY  14  11.815  -0.671   4.140
  115    HA2  GLY  14           HA2      GLY  14  10.681   0.635   5.621
  116    HA3  GLY  14           HA3      GLY  14  11.787   1.980   5.322
  117    H    THR  15           H        THR  15   9.263   0.130   3.396
  118    HA   THR  15           HA       THR  15   7.664   2.564   3.205
  119    HB   THR  15           HB       THR  15   9.119   1.492   0.784
  120    HG1  THR  15           HG1      THR  15   9.610   3.386   2.391
  121   HG21  THR  15          HG21      THR  15   7.758   3.077  -0.572
  122   HG22  THR  15          HG22      THR  15   6.759   1.765   0.071
  123   HG23  THR  15          HG23      THR  15   6.708   3.373   0.826
  124    H    VAL  16           H        VAL  16   5.516   2.079   3.018
  125    HA   VAL  16           HA       VAL  16   4.766  -0.787   2.786
  126    HB   VAL  16           HB       VAL  16   3.477   1.684   3.964
  127   HG11  VAL  16          HG11      VAL  16   1.978  -0.890   3.294
  128   HG12  VAL  16          HG12      VAL  16   1.401   0.379   4.394
  129   HG13  VAL  16          HG13      VAL  16   1.611   0.741   2.684
  130   HG21  VAL  16          HG21      VAL  16   3.746  -1.170   4.988
  131   HG22  VAL  16          HG22      VAL  16   4.941   0.112   5.317
  132   HG23  VAL  16          HG23      VAL  16   3.283   0.263   5.926
  133    H    TYR  17           H        TYR  17   3.362  -1.523   1.241
  134    HA   TYR  17           HA       TYR  17   2.232   0.332  -0.732
  135    HB2  TYR  17           HB2      TYR  17   3.367  -0.677  -2.643
  136    HB3  TYR  17           HB3      TYR  17   4.550  -0.015  -1.533
  137    HD1  TYR  17           HD1      TYR  17   5.948  -1.404  -0.152
  138    HD2  TYR  17           HD2      TYR  17   3.315  -3.123  -3.105
  139    HE1  TYR  17           HE1      TYR  17   7.305  -3.497  -0.136
  140    HE2  TYR  17           HE2      TYR  17   4.678  -5.201  -3.122
  141    HH   TYR  17           HH       TYR  17   6.645  -6.195  -2.374
  142    H    TYR  18           H        TYR  18   1.116  -0.990  -2.442
  143    HA   TYR  18           HA       TYR  18  -0.306  -3.300  -1.269
  144    HB2  TYR  18           HB2      TYR  18  -1.283  -1.005  -3.004
  145    HB3  TYR  18           HB3      TYR  18  -2.277  -2.351  -2.430
  146    HD1  TYR  18           HD2      TYR  18  -2.363  -2.812   0.075
  147    HD2  TYR  18           HD1      TYR  18  -0.805   0.884  -1.525
  148    HE1  TYR  18           HE2      TYR  18  -2.697  -1.727   2.272
  149    HE2  TYR  18           HE1      TYR  18  -0.868   1.868   0.705
  150    HH   TYR  18           HH       TYR  18  -2.932   0.738   3.168
  151    H    PHE  19           H        PHE  19   0.025  -5.129  -2.195
  152    HA   PHE  19           HA       PHE  19   1.089  -5.271  -4.974
  153    HB2  PHE  19           HB2      PHE  19   2.531  -5.877  -3.093
  154    HB3  PHE  19           HB3      PHE  19   1.358  -7.087  -2.568
  155    HD1  PHE  19           HD2      PHE  19   3.717  -6.161  -5.302
  156    HD2  PHE  19           HD1      PHE  19   1.346  -9.285  -3.515
  157    HE1  PHE  19           HE2      PHE  19   4.923  -7.832  -6.650
  158    HE2  PHE  19           HE1      PHE  19   2.572 -10.977  -4.872
  159    HZ   PHE  19           HZ       PHE  19   4.340 -10.258  -6.452
  160    H    ASN  20           H        ASN  20  -0.156  -6.222  -6.470
  161    HA   ASN  20           HA       ASN  20  -2.476  -7.871  -5.814
  162    HB2  ASN  20           HB2      ASN  20  -2.353  -6.277  -7.745
  163    HB3  ASN  20           HB3      ASN  20  -1.126  -7.300  -8.475
  164   HD21  ASN  20          HD22      ASN  20  -4.383  -6.627  -8.593
  165   HD22  ASN  20          HD21      ASN  20  -4.924  -8.225  -9.105
  166    H    HIS  21           H        HIS  21  -2.002  -9.868  -4.931
  167    HA   HIS  21           HA       HIS  21   0.450 -11.286  -5.682
  168    HB2  HIS  21           HB2      HIS  21  -0.285 -12.932  -3.986
  169    HB3  HIS  21           HB3      HIS  21  -0.130 -11.294  -3.388
  170    HD2  HIS  21           HD2      HIS  21  -2.999 -13.683  -4.525
  171    HE1  HIS  21           HE1      HIS  21  -4.506 -11.055  -1.507
  172    HE2  HIS  21           HE2      HIS  21  -5.058 -13.079  -2.989
  173    H    ILE  22           H        ILE  22  -2.000 -10.891  -7.622
  174    HA   ILE  22           HA       ILE  22  -1.834 -13.682  -8.677
  175    HB   ILE  22           HB       ILE  22  -3.944 -11.582  -9.301
  176   HG12  ILE  22          HG12      ILE  22  -4.154 -14.073  -7.544
  177   HG13  ILE  22          HG13      ILE  22  -4.162 -12.408  -6.963
  178   HG21  ILE  22          HG21      ILE  22  -3.762 -14.530 -10.062
  179   HG22  ILE  22          HG22      ILE  22  -5.077 -13.414 -10.494
  180   HG23  ILE  22          HG23      ILE  22  -3.477 -13.166 -11.163
  181   HD11  ILE  22          HD11      ILE  22  -6.254 -11.971  -8.257
  182   HD12  ILE  22          HD12      ILE  22  -6.325 -13.711  -8.640
  183   HD13  ILE  22          HD13      ILE  22  -6.414 -13.172  -6.960
  184    H    THR  23           H        THR  23  -1.591 -10.176  -9.524
  185    HA   THR  23           HA       THR  23  -0.303 -10.929 -12.101
  186    HB   THR  23           HB       THR  23  -0.685  -8.686 -12.813
  187    HG1  THR  23           HG1      THR  23  -1.771  -7.246 -11.367
  188   HG21  THR  23          HG21      THR  23  -2.661 -10.215 -12.889
  189   HG22  THR  23          HG22      THR  23  -3.206  -9.549 -11.335
  190   HG23  THR  23          HG23      THR  23  -3.094  -8.502 -12.766
  191    H    ASN  24           H        ASN  24   0.646  -9.663  -8.991
  192    HA   ASN  24           HA       ASN  24   2.542  -9.073  -8.101
  193    HB2  ASN  24           HB2      ASN  24   4.007  -9.082 -10.756
  194    HB3  ASN  24           HB3      ASN  24   4.697  -9.068  -9.144
  195   HD21  ASN  24          HD22      ASN  24   3.052 -11.042 -11.533
  196   HD22  ASN  24          HD21      ASN  24   3.484 -12.590 -10.775
  197    H    ALA  25           H        ALA  25   0.661  -7.185 -10.021
  198    HA   ALA  25           HA       ALA  25   2.176  -4.796 -10.315
  199    HB1  ALA  25           HB1      ALA  25  -0.808  -5.166  -9.808
  200    HB2  ALA  25           HB2      ALA  25  -0.032  -3.699 -10.435
  201    HB3  ALA  25           HB3      ALA  25  -0.001  -5.191 -11.397
  202    H    SER  26           H        SER  26   2.874  -3.241  -8.886
  203    HA   SER  26           HA       SER  26   2.014  -3.411  -6.036
  204    HB2  SER  26           HB2      SER  26   4.305  -2.775  -5.461
  205    HB3  SER  26           HB3      SER  26   4.289  -4.292  -6.373
  206    HG   SER  26           HG       SER  26   4.550  -1.768  -7.623
  207    H    GLN  27           H        GLN  27   0.981  -1.615  -5.362
  208    HA   GLN  27           HA       GLN  27   1.597   1.009  -6.685
  209    HB2  GLN  27           HB2      GLN  27  -0.984   0.143  -5.330
  210    HB3  GLN  27           HB3      GLN  27  -0.701   1.606  -6.243
  211    HG2  GLN  27           HG2      GLN  27  -1.071  -1.205  -7.213
  212    HG3  GLN  27           HG3      GLN  27  -1.958   0.259  -7.658
  213   HE21  GLN  27          HE22      GLN  27  -0.202   2.068  -8.748
  214   HE22  GLN  27          HE21      GLN  27   0.751   1.229  -9.976
  215    H    PHE  28           H        PHE  28   1.678   2.821  -5.428
  216    HA   PHE  28           HA       PHE  28   2.100   2.441  -2.469
  217    HB2  PHE  28           HB2      PHE  28   2.792   4.817  -4.223
  218    HB3  PHE  28           HB3      PHE  28   3.128   4.646  -2.498
  219    HD1  PHE  28           HD2      PHE  28   4.550   2.558  -1.738
  220    HD2  PHE  28           HD1      PHE  28   4.399   4.047  -5.798
  221    HE1  PHE  28           HE2      PHE  28   6.634   1.406  -2.242
  222    HE2  PHE  28           HE1      PHE  28   6.501   2.837  -6.307
  223    HZ   PHE  28           HZ       PHE  28   7.624   1.495  -4.542
  224    H    GLU  29           H        GLU  29   0.109   3.824  -4.932
  225    HA   GLU  29           HA       GLU  29  -1.667   5.517  -3.612
  226    HB2  GLU  29           HB2      GLU  29  -2.479   3.453  -5.703
  227    HB3  GLU  29           HB3      GLU  29  -3.195   5.023  -5.367
  228    HG2  GLU  29           HG2      GLU  29  -2.025   5.500  -7.283
  229    HG3  GLU  29           HG3      GLU  29  -0.825   5.967  -6.085
  230    H    ARG  30           H        ARG  30  -2.617   5.128  -1.699
  231    HA   ARG  30           HA       ARG  30  -2.941   2.462  -0.708
  232    HB2  ARG  30           HB2      ARG  30  -1.978   4.316   0.519
  233    HB3  ARG  30           HB3      ARG  30  -3.531   5.159   0.549
  234    HG2  ARG  30           HG2      ARG  30  -3.836   2.445   1.612
  235    HG3  ARG  30           HG3      ARG  30  -2.451   3.236   2.368
  236    HD2  ARG  30           HD2      ARG  30  -4.345   3.646   3.745
  237    HD3  ARG  30           HD3      ARG  30  -3.887   5.173   2.967
  238    HE   ARG  30           HE       ARG  30  -5.986   3.518   1.653
  239   HH11  ARG  30          HH11      ARG  30  -5.467   6.400   3.571
  240   HH12  ARG  30          HH12      ARG  30  -7.045   7.038   3.166
  241   HH21  ARG  30          HH21      ARG  30  -7.810   4.253   1.208
  242   HH22  ARG  30          HH22      ARG  30  -8.416   5.815   1.767
  243    HA   PRO  31           HA       PRO  31  -7.383   2.345  -1.858
  244    HB2  PRO  31           HB2      PRO  31  -7.731  -0.307  -1.930
  245    HB3  PRO  31           HB3      PRO  31  -6.646   0.500  -3.087
  246    HG2  PRO  31           HG2      PRO  31  -5.871  -0.868  -0.505
  247    HG3  PRO  31           HG3      PRO  31  -5.186  -1.139  -2.143
  248    HD2  PRO  31           HD2      PRO  31  -4.108   0.564  -0.245
  249    HD3  PRO  31           HD3      PRO  31  -3.917   0.799  -2.002
  250    H    SER  32           H        SER  32  -8.573  -0.075  -0.358
  251    HA   SER  32           HA       SER  32  -9.603   1.347   1.907
  252    HB2  SER  32           HB2      SER  32 -10.927  -0.650   2.281
  253    HB3  SER  32           HB3      SER  32 -10.900  -0.264   0.549
  254    HG   SER  32           HG       SER  32  -9.225  -2.102   1.890
  255    H    GLY  33           H        GLY  33  -7.222   1.672   2.635
  256    HA2  GLY  33           HA2      GLY  33  -6.253   1.784   4.754
  257    HA3  GLY  33           HA3      GLY  33  -7.020   0.269   5.220
  258    H1   NAG 101           H1       NAG  34  12.053   0.834   0.032
  259    H2   NAG 101           H2       NAG  34  12.589   3.126  -1.939
  260    H3   NAG 101           H3       NAG  34  10.086   1.506  -1.293
  261    H4   NAG 101           H4       NAG  34  11.829   1.831  -3.800
  262    H5   NAG 101           H5       NAG  34  11.232  -0.541  -1.971
  263    H61  NAG 101           H61      NAG  34  12.926  -1.795  -3.202
  264    H62  NAG 101           H62      NAG  34  11.645  -1.302  -4.315
  265    H81  NAG 101           H2M      NAG  34  11.803   4.781   2.332
  266    H82  NAG 101           H3M      NAG  34  10.961   5.773   1.115
  267    H83  NAG 101           H1M      NAG  34  12.629   6.164   1.583
  268    HN2  NAG 101           H2N      NAG  34  10.641   3.500   0.212
  269    HO3  NAG 101           H3O      NAG  34   9.342   2.813  -3.182
  270    HO4  NAG 101           H4O      NAG  34  10.302   0.448  -4.740
  271    HO6  NAG 101           H6O      NAG  34  14.089   0.115  -3.860
  Start of MODEL   18
    1    H1   LYS   1           H1       LYS   1 -12.577  -0.053  -3.302
    2    H2   LYS   1           H2       LYS   1 -12.709   1.527  -2.836
    3    H3   LYS   1           H3       LYS   1 -11.655   0.507  -2.094
    4    HA   LYS   1           HA       LYS   1 -11.488   1.373  -4.911
    5    HB2  LYS   1           HB2      LYS   1 -10.939   3.254  -3.532
    6    HB3  LYS   1           HB3      LYS   1  -9.924   2.281  -2.474
    7    HG2  LYS   1           HG2      LYS   1  -8.568   3.665  -3.915
    8    HG3  LYS   1           HG3      LYS   1  -8.268   1.964  -4.233
    9    HD2  LYS   1           HD2      LYS   1  -9.852   2.181  -6.253
   10    HD3  LYS   1           HD3      LYS   1  -9.835   3.927  -5.974
   11    HE2  LYS   1           HE2      LYS   1  -7.362   2.183  -6.377
   12    HE3  LYS   1           HE3      LYS   1  -8.162   3.052  -7.694
   13    HZ1  LYS   1           HZ1      LYS   1  -7.529   5.125  -6.705
   14    HZ2  LYS   1           HZ2      LYS   1  -7.093   4.411  -5.270
   15    HZ3  LYS   1           HZ3      LYS   1  -6.167   4.169  -6.484
   16    H    LEU   2           H        LEU   2  -9.720  -0.378  -2.275
   17    HA   LEU   2           HA       LEU   2  -7.666  -1.408  -3.831
   18    HB2  LEU   2           HB2      LEU   2  -7.918  -1.349  -1.360
   19    HB3  LEU   2           HB3      LEU   2  -9.127  -2.621  -1.457
   20    HG   LEU   2           HG       LEU   2  -7.430  -4.209  -2.284
   21   HD11  LEU   2          HD11      LEU   2  -5.053  -3.604  -2.265
   22   HD12  LEU   2          HD12      LEU   2  -5.909  -2.688  -3.497
   23   HD13  LEU   2          HD13      LEU   2  -5.456  -1.905  -1.966
   24   HD21  LEU   2          HD21      LEU   2  -7.800  -3.959   0.133
   25   HD22  LEU   2          HD22      LEU   2  -6.113  -4.357  -0.216
   26   HD23  LEU   2          HD23      LEU   2  -6.564  -2.684   0.205
   27    HA   PRO   3           HA       PRO   3 -10.235  -4.298  -6.233
   28    HB2  PRO   3           HB2      PRO   3  -7.869  -4.988  -7.846
   29    HB3  PRO   3           HB3      PRO   3  -9.360  -4.159  -8.338
   30    HG2  PRO   3           HG2      PRO   3  -6.934  -2.855  -8.145
   31    HG3  PRO   3           HG3      PRO   3  -8.515  -2.062  -7.864
   32    HD2  PRO   3           HD2      PRO   3  -6.576  -3.138  -5.814
   33    HD3  PRO   3           HD3      PRO   3  -7.481  -1.595  -5.847
   34    HA   PRO   4           HA       PRO   4  -9.377  -8.303  -4.617
   35    HB2  PRO   4           HB2      PRO   4  -9.797 -10.135  -6.645
   36    HB3  PRO   4           HB3      PRO   4 -11.091  -9.246  -5.787
   37    HG2  PRO   4           HG2      PRO   4  -9.795  -8.552  -8.436
   38    HG3  PRO   4           HG3      PRO   4 -11.543  -8.599  -8.037
   39    HD2  PRO   4           HD2      PRO   4 -10.162  -6.280  -8.054
   40    HD3  PRO   4           HD3      PRO   4 -11.397  -6.580  -6.796
   41    H    GLY   5           H        GLY   5  -7.711  -9.611  -4.121
   42    HA2  GLY   5           HA2      GLY   5  -5.754 -10.837  -4.335
   43    HA3  GLY   5           HA3      GLY   5  -5.565 -10.271  -5.997
   44    H    TRP   6           H        TRP   6  -5.977  -7.364  -4.606
   45    HA   TRP   6           HA       TRP   6  -3.126  -6.839  -4.210
   46    HB2  TRP   6           HB2      TRP   6  -5.585  -5.071  -4.194
   47    HB3  TRP   6           HB3      TRP   6  -3.927  -4.528  -4.035
   48    HD1  TRP   6           HD1      TRP   6  -6.279  -6.053  -6.621
   49    HE1  TRP   6           HE1      TRP   6  -5.563  -5.253  -8.971
   50    HE3  TRP   6           HE3      TRP   6  -1.877  -3.760  -5.387
   51    HZ2  TRP   6           HZ2      TRP   6  -3.398  -3.760 -10.134
   52    HZ3  TRP   6           HZ3      TRP   6  -0.507  -2.685  -7.135
   53    HH2  TRP   6           HH2      TRP   6  -1.264  -2.628  -9.494
   54    H    GLU   7           H        GLU   7  -2.186  -6.776  -2.206
   55    HA   GLU   7           HA       GLU   7  -3.822  -5.864   0.095
   56    HB2  GLU   7           HB2      GLU   7  -2.866  -7.763   1.470
   57    HB3  GLU   7           HB3      GLU   7  -4.162  -8.153   0.344
   58    HG2  GLU   7           HG2      GLU   7  -2.620  -9.174  -1.229
   59    HG3  GLU   7           HG3      GLU   7  -1.227  -8.588  -0.314
   60    H    LYS   8           H        LYS   8  -2.568  -5.329   2.025
   61    HA   LYS   8           HA       LYS   8  -0.568  -3.479   1.288
   62    HB2  LYS   8           HB2      LYS   8  -2.208  -3.335   3.223
   63    HB3  LYS   8           HB3      LYS   8  -1.186  -4.463   4.099
   64    HG2  LYS   8           HG2      LYS   8   0.538  -2.347   3.117
   65    HG3  LYS   8           HG3      LYS   8  -0.922  -1.582   3.706
   66    HD2  LYS   8           HD2      LYS   8   0.576  -1.639   5.554
   67    HD3  LYS   8           HD3      LYS   8  -0.666  -2.848   5.867
   68    HE2  LYS   8           HE2      LYS   8   1.292  -3.956   6.471
   69    HE3  LYS   8           HE3      LYS   8   0.987  -4.577   4.847
   70    HZ1  LYS   8           HZ1      LYS   8   3.305  -3.932   5.183
   71    HZ2  LYS   8           HZ2      LYS   8   2.666  -2.983   4.012
   72    HZ3  LYS   8           HZ3      LYS   8   2.872  -2.385   5.527
   73    H    ARG   9           H        ARG   9   1.600  -3.516   1.230
   74    HA   ARG   9           HA       ARG   9   3.179  -5.819   2.211
   75    HB2  ARG   9           HB2      ARG   9   2.198  -5.419  -0.346
   76    HB3  ARG   9           HB3      ARG   9   3.592  -4.370  -0.394
   77    HG2  ARG   9           HG2      ARG   9   4.304  -6.325  -1.267
   78    HG3  ARG   9           HG3      ARG   9   4.958  -6.422   0.360
   79    HD2  ARG   9           HD2      ARG   9   2.950  -8.123  -1.057
   80    HD3  ARG   9           HD3      ARG   9   4.135  -8.589   0.154
   81    HE   ARG   9           HE       ARG   9   2.126  -7.105   1.500
   82   HH11  ARG   9          HH11      ARG   9   1.893 -10.175  -0.364
   83   HH12  ARG   9          HH12      ARG   9   0.391 -10.473   0.544
   84   HH21  ARG   9          HH22      ARG   9   0.385  -7.805   2.520
   85   HH22  ARG   9          HH21      ARG   9  -0.305  -9.382   1.984
   86    H    MET  10           H        MET  10   5.632  -5.212   1.807
   87    HA   MET  10           HA       MET  10   6.282  -2.436   2.325
   88    HB2  MET  10           HB2      MET  10   7.465  -2.995   4.474
   89    HB3  MET  10           HB3      MET  10   5.717  -2.896   4.574
   90    HG2  MET  10           HG2      MET  10   7.122  -5.563   4.255
   91    HG3  MET  10           HG3      MET  10   6.922  -4.790   5.822
   92    HE1  MET  10           HE1      MET  10   4.370  -7.763   5.936
   93    HE2  MET  10           HE2      MET  10   5.929  -7.735   5.080
   94    HE3  MET  10           HE3      MET  10   5.789  -7.010   6.698
   95    H    PHE  11           H        PHE  11   8.324  -1.948   1.783
   96    HA   PHE  11           HA       PHE  11  10.110  -4.039   0.693
   97    HB2  PHE  11           HB2      PHE  11  10.070  -1.028   0.645
   98    HB3  PHE  11           HB3      PHE  11  11.422  -1.965   0.038
   99    HD1  PHE  11           HD1      PHE  11  10.834  -3.912  -1.647
  100    HD2  PHE  11           HD2      PHE  11   8.339  -0.422  -0.981
  101    HE1  PHE  11           HE1      PHE  11   9.845  -4.177  -3.899
  102    HE2  PHE  11           HE2      PHE  11   7.407  -0.708  -3.259
  103    HZ   PHE  11           HZ       PHE  11   8.158  -2.552  -4.713
  104    H    ALA  12           H        ALA  12  12.347  -4.207   1.377
  105    HA   ALA  12           HA       ALA  12  12.752  -4.244   4.150
  106    HB1  ALA  12           HB1      ALA  12  14.786  -4.314   1.878
  107    HB2  ALA  12           HB2      ALA  12  15.052  -4.876   3.542
  108    HB3  ALA  12           HB3      ALA  12  13.873  -5.707   2.511
  109    H    ASN  13           H        ASN  13  13.054  -1.485   2.107
  110    HA   ASN  13           HA       ASN  13  14.837  -0.011   3.939
  111    HB2  ASN  13           HB2      ASN  13  14.571   1.811   2.293
  112    HB3  ASN  13           HB3      ASN  13  15.110   0.316   1.533
  113   HD21  ASN  13          HD21      ASN  13  14.316   1.427  -0.491
  114    H    GLY  14           H        GLY  14  11.609  -0.922   4.134
  115    HA2  GLY  14           HA2      GLY  14  10.168  -0.200   5.828
  116    HA3  GLY  14           HA3      GLY  14  10.938   1.386   5.869
  117    H    THR  15           H        THR  15  10.117   0.260   2.632
  118    HA   THR  15           HA       THR  15   8.192   2.509   2.501
  119    HB   THR  15           HB       THR  15   9.420   0.900   0.265
  120    HG1  THR  15           HG1      THR  15  10.994   1.854   1.288
  121   HG21  THR  15          HG21      THR  15   7.352   2.182  -0.379
  122   HG22  THR  15          HG22      THR  15   8.175   3.662   0.164
  123   HG23  THR  15          HG23      THR  15   8.840   2.706  -1.186
  124    H    VAL  16           H        VAL  16   6.063   2.162   2.655
  125    HA   VAL  16           HA       VAL  16   4.999  -0.577   2.291
  126    HB   VAL  16           HB       VAL  16   4.018   1.920   3.696
  127   HG11  VAL  16          HG11      VAL  16   1.939   0.692   4.313
  128   HG12  VAL  16          HG12      VAL  16   1.984   1.107   2.602
  129   HG13  VAL  16          HG13      VAL  16   2.332  -0.558   3.112
  130   HG21  VAL  16          HG21      VAL  16   5.535   0.320   4.867
  131   HG22  VAL  16          HG22      VAL  16   3.927   0.354   5.606
  132   HG23  VAL  16          HG23      VAL  16   4.382  -0.991   4.528
  133    H    TYR  17           H        TYR  17   3.394  -1.120   0.951
  134    HA   TYR  17           HA       TYR  17   2.181   0.707  -0.966
  135    HB2  TYR  17           HB2      TYR  17   3.162  -0.435  -2.916
  136    HB3  TYR  17           HB3      TYR  17   4.432   0.265  -1.936
  137    HD1  TYR  17           HD1      TYR  17   5.806  -1.123  -0.410
  138    HD2  TYR  17           HD2      TYR  17   3.248  -2.878  -3.410
  139    HE1  TYR  17           HE1      TYR  17   7.169  -3.170  -0.377
  140    HE2  TYR  17           HE2      TYR  17   4.709  -4.897  -3.432
  141    HH   TYR  17           HH       TYR  17   7.605  -5.168  -1.402
  142    H    TYR  18           H        TYR  18   0.716  -0.747  -2.427
  143    HA   TYR  18           HA       TYR  18  -0.081  -3.292  -1.105
  144    HB2  TYR  18           HB2      TYR  18  -1.588  -1.338  -2.871
  145    HB3  TYR  18           HB3      TYR  18  -2.163  -2.976  -2.549
  146    HD1  TYR  18           HD1      TYR  18  -0.871   0.047  -0.684
  147    HD2  TYR  18           HD2      TYR  18  -3.573  -3.321  -0.677
  148    HE1  TYR  18           HE1      TYR  18  -1.422   0.533   1.548
  149    HE2  TYR  18           HE2      TYR  18  -4.498  -2.542   1.488
  150    HH   TYR  18           HH       TYR  18  -4.452  -0.047   2.704
  151    H    PHE  19           H        PHE  19  -0.076  -5.179  -2.133
  152    HA   PHE  19           HA       PHE  19   1.182  -5.278  -4.843
  153    HB2  PHE  19           HB2      PHE  19   2.703  -5.739  -2.956
  154    HB3  PHE  19           HB3      PHE  19   1.608  -6.980  -2.372
  155    HD1  PHE  19           HD2      PHE  19   3.649  -6.031  -5.399
  156    HD2  PHE  19           HD1      PHE  19   1.871  -9.220  -3.103
  157    HE1  PHE  19           HE2      PHE  19   4.860  -7.698  -6.772
  158    HE2  PHE  19           HE1      PHE  19   3.104 -10.889  -4.482
  159    HZ   PHE  19           HZ       PHE  19   4.586 -10.130  -6.319
  160    H    ASN  20           H        ASN  20   0.122  -6.452  -6.315
  161    HA   ASN  20           HA       ASN  20  -2.134  -8.153  -5.499
  162    HB2  ASN  20           HB2      ASN  20  -2.278  -6.595  -7.474
  163    HB3  ASN  20           HB3      ASN  20  -1.114  -7.618  -8.294
  164   HD21  ASN  20          HD22      ASN  20  -4.425  -7.137  -7.709
  165   HD22  ASN  20          HD21      ASN  20  -5.004  -8.739  -8.080
  166    H    HIS  21           H        HIS  21  -1.357 -10.025  -4.536
  167    HA   HIS  21           HA       HIS  21   1.006 -11.313  -5.713
  168    HB2  HIS  21           HB2      HIS  21   0.816 -13.002  -3.992
  169    HB3  HIS  21           HB3      HIS  21   0.886 -11.368  -3.382
  170    HD2  HIS  21           HD2      HIS  21  -2.696 -11.873  -4.240
  171    HE1  HIS  21           HE1      HIS  21  -2.265 -12.987  -0.150
  172    HE2  HIS  21           HE2      HIS  21  -3.920 -12.336  -1.939
  173    H    ILE  22           H        ILE  22  -1.905 -11.219  -7.107
  174    HA   ILE  22           HA       ILE  22  -1.761 -14.021  -8.093
  175    HB   ILE  22           HB       ILE  22  -3.781 -11.901  -8.898
  176   HG12  ILE  22          HG12      ILE  22  -4.054 -13.986  -6.684
  177   HG13  ILE  22          HG13      ILE  22  -3.980 -12.237  -6.455
  178   HG21  ILE  22          HG21      ILE  22  -3.460 -13.843 -10.431
  179   HG22  ILE  22          HG22      ILE  22  -3.834 -14.942  -9.089
  180   HG23  ILE  22          HG23      ILE  22  -5.062 -13.819  -9.718
  181   HD11  ILE  22          HD11      ILE  22  -6.091 -11.991  -7.781
  182   HD12  ILE  22          HD12      ILE  22  -6.239 -13.768  -7.777
  183   HD13  ILE  22          HD13      ILE  22  -6.260 -12.877  -6.251
  184    H    THR  23           H        THR  23  -1.417 -10.587  -9.140
  185    HA   THR  23           HA       THR  23  -0.360 -11.503 -11.770
  186    HB   THR  23           HB       THR  23  -0.720  -9.267 -12.545
  187    HG1  THR  23           HG1      THR  23  -1.662  -7.749 -11.101
  188   HG21  THR  23          HG21      THR  23  -3.157 -10.019 -10.877
  189   HG22  THR  23          HG22      THR  23  -3.118  -9.031 -12.352
  190   HG23  THR  23          HG23      THR  23  -2.729 -10.758 -12.435
  191    H    ASN  24           H        ASN  24   0.840 -10.089  -8.828
  192    HA   ASN  24           HA       ASN  24   2.837  -9.549  -8.091
  193    HB2  ASN  24           HB2      ASN  24   4.087  -9.697 -10.852
  194    HB3  ASN  24           HB3      ASN  24   4.905  -9.605  -9.304
  195   HD21  ASN  24          HD22      ASN  24   3.056 -11.690 -11.439
  196   HD22  ASN  24          HD21      ASN  24   3.546 -13.197 -10.634
  197    H    ALA  25           H        ALA  25   0.787  -7.712  -9.800
  198    HA   ALA  25           HA       ALA  25   2.372  -5.368 -10.332
  199    HB1  ALA  25           HB1      ALA  25   0.204  -4.257 -10.536
  200    HB2  ALA  25           HB2      ALA  25   0.158  -5.831 -11.345
  201    HB3  ALA  25           HB3      ALA  25  -0.607  -5.630  -9.748
  202    H    SER  26           H        SER  26   2.404  -3.325  -9.161
  203    HA   SER  26           HA       SER  26   1.921  -3.468  -6.233
  204    HB2  SER  26           HB2      SER  26   4.148  -2.513  -5.854
  205    HB3  SER  26           HB3      SER  26   4.268  -4.089  -6.642
  206    HG   SER  26           HG       SER  26   4.151  -1.689  -8.146
  207    H    GLN  27           H        GLN  27   1.117  -1.621  -5.369
  208    HA   GLN  27           HA       GLN  27   1.154   0.924  -6.925
  209    HB2  GLN  27           HB2      GLN  27  -0.966  -0.060  -7.366
  210    HB3  GLN  27           HB3      GLN  27  -1.133  -0.651  -5.715
  211    HG2  GLN  27           HG2      GLN  27  -2.696   1.125  -6.101
  212    HG3  GLN  27           HG3      GLN  27  -1.536   1.584  -4.871
  213   HE21  GLN  27          HE22      GLN  27  -3.249   3.571  -6.400
  214   HE22  GLN  27          HE21      GLN  27  -2.061   4.381  -7.409
  215    H    PHE  28           H        PHE  28   1.927   2.605  -5.732
  216    HA   PHE  28           HA       PHE  28   2.605   2.173  -2.926
  217    HB2  PHE  28           HB2      PHE  28   3.057   4.453  -4.872
  218    HB3  PHE  28           HB3      PHE  28   3.521   4.547  -3.176
  219    HD1  PHE  28           HD2      PHE  28   4.969   2.638  -2.196
  220    HD2  PHE  28           HD1      PHE  28   4.618   3.466  -6.415
  221    HE1  PHE  28           HE2      PHE  28   7.112   1.468  -2.604
  222    HE2  PHE  28           HE1      PHE  28   6.767   2.294  -6.819
  223    HZ   PHE  28           HZ       PHE  28   8.026   1.302  -4.915
  224    H    GLU  29           H        GLU  29  -0.188   3.482  -4.401
  225    HA   GLU  29           HA       GLU  29  -1.088   5.319  -2.388
  226    HB2  GLU  29           HB2      GLU  29  -2.124   4.996  -4.607
  227    HB3  GLU  29           HB3      GLU  29  -2.548   3.335  -4.150
  228    HG2  GLU  29           HG2      GLU  29  -4.039   4.286  -2.355
  229    HG3  GLU  29           HG3      GLU  29  -3.758   5.878  -3.075
  230    H    ARG  30           H        ARG  30  -2.140   4.956  -0.427
  231    HA   ARG  30           HA       ARG  30  -2.381   2.164   0.538
  232    HB2  ARG  30           HB2      ARG  30  -0.682   3.373   1.724
  233    HB3  ARG  30           HB3      ARG  30  -1.789   4.714   2.060
  234    HG2  ARG  30           HG2      ARG  30  -3.168   3.257   3.500
  235    HG3  ARG  30           HG3      ARG  30  -2.155   1.867   3.103
  236    HD2  ARG  30           HD2      ARG  30  -0.210   2.979   4.147
  237    HD3  ARG  30           HD3      ARG  30  -1.233   4.386   4.526
  238    HE   ARG  30           HE       ARG  30  -2.397   1.956   5.533
  239   HH11  ARG  30          HH21      ARG  30   0.126   4.231   6.320
  240   HH12  ARG  30          HH22      ARG  30   0.040   3.938   8.037
  241   HH21  ARG  30          HH11      ARG  30  -2.507   1.589   7.745
  242   HH22  ARG  30          HH12      ARG  30  -1.451   2.452   8.819
  243    HA   PRO  31           HA       PRO  31  -6.751   3.431   0.743
  244    HB2  PRO  31           HB2      PRO  31  -7.893   1.328  -0.488
  245    HB3  PRO  31           HB3      PRO  31  -7.039   2.580  -1.441
  246    HG2  PRO  31           HG2      PRO  31  -6.011  -0.124  -0.555
  247    HG3  PRO  31           HG3      PRO  31  -5.875   0.637  -2.174
  248    HD2  PRO  31           HD2      PRO  31  -3.954   0.690  -0.151
  249    HD3  PRO  31           HD3      PRO  31  -3.992   1.846  -1.483
  250    H    SER  32           H        SER  32  -8.476   2.376   2.027
  251    HA   SER  32           HA       SER  32  -7.554   0.331   3.962
  252    HB2  SER  32           HB2      SER  32  -9.548   1.164   5.237
  253    HB3  SER  32           HB3      SER  32  -8.305   2.398   4.945
  254    HG   SER  32           HG       SER  32 -10.495   3.085   4.479
  255    H    GLY  33           H        GLY  33  -9.355   0.489   1.067
  256    HA2  GLY  33           HA2      GLY  33 -10.314  -2.076   0.896
  257    HA3  GLY  33           HA3      GLY  33 -11.618  -1.133   1.648
  258    H1   NAG 101           H1       NAG  34  11.534   0.455  -0.863
  259    H2   NAG 101           H2       NAG  34  12.968   2.388  -2.756
  260    H3   NAG 101           H3       NAG  34  10.216   1.037  -2.667
  261    H4   NAG 101           H4       NAG  34  12.558   0.892  -4.605
  262    H5   NAG 101           H5       NAG  34  11.402  -1.202  -2.731
  263    H61  NAG 101           H61      NAG  34  13.173  -2.666  -3.314
  264    H62  NAG 101           H62      NAG  34  12.568  -2.069  -4.862
  265    H81  NAG 101           H2M      NAG  34   9.887   5.416  -0.851
  266    H82  NAG 101           H3M      NAG  34  11.145   6.502  -1.483
  267    H83  NAG 101           H1M      NAG  34  11.495   5.455  -0.091
  268    HN2  NAG 101           H2N      NAG  34  11.215   3.031  -0.524
  269    HO3  NAG 101           H3O      NAG  34  10.935   3.378  -3.881
  270    HO4  NAG 101           H4O      NAG  34  10.309   0.739  -5.281
  271    HO6  NAG 101           H6O      NAG  34  14.683  -0.838  -3.395
  Start of MODEL   19
    1    H1   LYS   1           H1       LYS   1  -6.289   2.507  -2.619
    2    H2   LYS   1           H2       LYS   1  -6.948   3.960  -2.996
    3    H3   LYS   1           H3       LYS   1  -6.660   2.883  -4.198
    4    HA   LYS   1           HA       LYS   1  -8.373   1.984  -2.041
    5    HB2  LYS   1           HB2      LYS   1  -9.482   3.524  -4.421
    6    HB3  LYS   1           HB3      LYS   1 -10.365   2.886  -3.030
    7    HG2  LYS   1           HG2      LYS   1  -8.375   5.199  -3.046
    8    HG3  LYS   1           HG3      LYS   1 -10.109   5.329  -2.887
    9    HD2  LYS   1           HD2      LYS   1 -10.148   4.594  -0.689
   10    HD3  LYS   1           HD3      LYS   1  -8.635   3.706  -0.793
   11    HE2  LYS   1           HE2      LYS   1  -8.642   6.729  -1.061
   12    HE3  LYS   1           HE3      LYS   1  -8.704   5.942   0.524
   13    HZ1  LYS   1           HZ1      LYS   1  -6.491   5.599  -1.456
   14    HZ2  LYS   1           HZ2      LYS   1  -6.418   6.278   0.066
   15    HZ3  LYS   1           HZ3      LYS   1  -6.686   4.717  -0.063
   16    H    LEU   2           H        LEU   2  -8.796  -0.245  -2.595
   17    HA   LEU   2           HA       LEU   2  -8.435  -0.969  -5.410
   18    HB2  LEU   2           HB2      LEU   2  -6.525  -2.443  -4.963
   19    HB3  LEU   2           HB3      LEU   2  -6.182  -0.757  -4.690
   20    HG   LEU   2           HG       LEU   2  -6.324  -1.183  -2.168
   21   HD11  LEU   2          HD11      LEU   2  -6.923  -3.951  -3.150
   22   HD12  LEU   2          HD12      LEU   2  -5.917  -3.748  -1.703
   23   HD13  LEU   2          HD13      LEU   2  -7.556  -3.086  -1.754
   24   HD21  LEU   2          HD21      LEU   2  -4.237  -1.031  -3.367
   25   HD22  LEU   2          HD22      LEU   2  -4.186  -2.238  -2.090
   26   HD23  LEU   2          HD23      LEU   2  -4.326  -2.751  -3.789
   27    HA   PRO   3           HA       PRO   3 -11.044  -4.352  -4.245
   28    HB2  PRO   3           HB2      PRO   3 -10.998  -5.880  -6.482
   29    HB3  PRO   3           HB3      PRO   3 -11.535  -4.174  -6.547
   30    HG2  PRO   3           HG2      PRO   3  -8.770  -5.283  -7.171
   31    HG3  PRO   3           HG3      PRO   3  -9.787  -4.221  -8.199
   32    HD2  PRO   3           HD2      PRO   3  -7.847  -3.245  -6.525
   33    HD3  PRO   3           HD3      PRO   3  -9.355  -2.350  -6.870
   34    HA   PRO   4           HA       PRO   4  -9.034  -8.111  -2.739
   35    HB2  PRO   4           HB2      PRO   4 -11.086  -9.596  -4.395
   36    HB3  PRO   4           HB3      PRO   4 -10.575  -9.897  -2.703
   37    HG2  PRO   4           HG2      PRO   4 -12.892  -8.591  -3.206
   38    HG3  PRO   4           HG3      PRO   4 -11.789  -7.986  -1.924
   39    HD2  PRO   4           HD2      PRO   4 -12.112  -6.979  -4.756
   40    HD3  PRO   4           HD3      PRO   4 -11.970  -6.050  -3.231
   41    H    GLY   5           H        GLY   5  -7.401  -9.460  -3.412
   42    HA2  GLY   5           HA2      GLY   5  -6.294 -10.809  -5.193
   43    HA3  GLY   5           HA3      GLY   5  -6.749  -9.540  -6.339
   44    H    TRP   6           H        TRP   6  -6.189  -7.383  -4.250
   45    HA   TRP   6           HA       TRP   6  -3.243  -7.288  -4.400
   46    HB2  TRP   6           HB2      TRP   6  -5.380  -5.339  -3.573
   47    HB3  TRP   6           HB3      TRP   6  -3.663  -5.003  -3.527
   48    HD1  TRP   6           HD1      TRP   6  -6.488  -5.632  -6.052
   49    HE1  TRP   6           HE1      TRP   6  -5.922  -4.444  -8.269
   50    HE3  TRP   6           HE3      TRP   6  -1.742  -4.077  -4.955
   51    HZ2  TRP   6           HZ2      TRP   6  -3.677  -3.052  -9.425
   52    HZ3  TRP   6           HZ3      TRP   6  -0.404  -2.847  -6.631
   53    HH2  TRP   6           HH2      TRP   6  -1.356  -2.320  -8.863
   54    H    GLU   7           H        GLU   7  -1.936  -7.330  -2.593
   55    HA   GLU   7           HA       GLU   7  -3.206  -7.654   0.083
   56    HB2  GLU   7           HB2      GLU   7  -2.224  -9.707  -1.532
   57    HB3  GLU   7           HB3      GLU   7  -0.842  -9.339  -0.522
   58    HG2  GLU   7           HG2      GLU   7  -3.658  -9.925   0.517
   59    HG3  GLU   7           HG3      GLU   7  -2.393 -11.143   0.325
   60    H    LYS   8           H        LYS   8  -1.777  -7.221   1.897
   61    HA   LYS   8           HA       LYS   8  -0.361  -4.722   1.386
   62    HB2  LYS   8           HB2      LYS   8  -0.454  -4.406   3.740
   63    HB3  LYS   8           HB3      LYS   8  -1.966  -5.164   3.257
   64    HG2  LYS   8           HG2      LYS   8  -0.788  -7.421   3.966
   65    HG3  LYS   8           HG3      LYS   8   0.377  -6.369   4.760
   66    HD2  LYS   8           HD2      LYS   8  -1.204  -7.001   6.418
   67    HD3  LYS   8           HD3      LYS   8  -1.509  -5.308   6.038
   68    HE2  LYS   8           HE2      LYS   8  -3.621  -6.459   6.265
   69    HE3  LYS   8           HE3      LYS   8  -3.416  -5.989   4.574
   70    HZ1  LYS   8           HZ1      LYS   8  -4.216  -8.293   4.855
   71    HZ2  LYS   8           HZ2      LYS   8  -2.818  -8.248   4.025
   72    HZ3  LYS   8           HZ3      LYS   8  -2.801  -8.704   5.601
   73    H    ARG   9           H        ARG   9   1.817  -4.206   1.493
   74    HA   ARG   9           HA       ARG   9   3.782  -6.257   2.428
   75    HB2  ARG   9           HB2      ARG   9   3.834  -4.776  -0.211
   76    HB3  ARG   9           HB3      ARG   9   5.115  -5.846   0.363
   77    HG2  ARG   9           HG2      ARG   9   2.376  -6.640  -0.608
   78    HG3  ARG   9           HG3      ARG   9   3.918  -6.891  -1.407
   79    HD2  ARG   9           HD2      ARG   9   4.717  -8.462   0.140
   80    HD3  ARG   9           HD3      ARG   9   3.461  -8.108   1.298
   81    HE   ARG   9           HE       ARG   9   3.116  -9.592  -1.277
   82   HH11  ARG   9          HH21      ARG   9   1.649  -8.781   1.830
   83   HH12  ARG   9          HH22      ARG   9   0.532 -10.106   1.786
   84   HH21  ARG   9          HH12      ARG   9   1.592 -11.294  -1.291
   85   HH22  ARG   9          HH11      ARG   9   0.537 -11.438   0.097
   86    H    MET  10           H        MET  10   6.063  -5.321   2.252
   87    HA   MET  10           HA       MET  10   6.324  -2.450   2.423
   88    HB2  MET  10           HB2      MET  10   7.294  -2.367   4.607
   89    HB3  MET  10           HB3      MET  10   5.692  -3.075   4.750
   90    HG2  MET  10           HG2      MET  10   8.306  -4.631   4.789
   91    HG3  MET  10           HG3      MET  10   7.388  -4.132   6.198
   92    HE1  MET  10           HE1      MET  10   7.600  -6.622   7.072
   93    HE2  MET  10           HE2      MET  10   7.042  -8.038   6.151
   94    HE3  MET  10           HE3      MET  10   8.433  -7.095   5.570
   95    H    PHE  11           H        PHE  11   8.314  -1.769   1.850
   96    HA   PHE  11           HA       PHE  11  10.262  -3.680   0.773
   97    HB2  PHE  11           HB2      PHE  11  10.039  -0.679   0.876
   98    HB3  PHE  11           HB3      PHE  11  11.450  -1.494   0.228
   99    HD1  PHE  11           HD1      PHE  11  11.045  -3.336  -1.583
  100    HD2  PHE  11           HD2      PHE  11   8.217  -0.179  -0.670
  101    HE1  PHE  11           HE1      PHE  11  10.053  -3.558  -3.842
  102    HE2  PHE  11           HE2      PHE  11   7.274  -0.417  -2.958
  103    HZ   PHE  11           HZ       PHE  11   8.192  -2.067  -4.532
  104    H    ALA  12           H        ALA  12  12.564  -3.636   1.385
  105    HA   ALA  12           HA       ALA  12  13.019  -3.895   4.142
  106    HB1  ALA  12           HB1      ALA  12  15.005  -3.520   1.858
  107    HB2  ALA  12           HB2      ALA  12  15.365  -4.202   3.457
  108    HB3  ALA  12           HB3      ALA  12  14.268  -5.061   2.362
  109    H    ASN  13           H        ASN  13  12.962  -0.945   2.369
  110    HA   ASN  13           HA       ASN  13  14.574   0.554   4.343
  111    HB2  ASN  13           HB2      ASN  13  14.123   2.467   2.841
  112    HB3  ASN  13           HB3      ASN  13  14.843   1.109   1.979
  113   HD21  ASN  13          HD21      ASN  13  13.959   2.235   0.008
  114    H    GLY  14           H        GLY  14  11.472  -0.725   4.394
  115    HA2  GLY  14           HA2      GLY  14   9.918  -0.330   6.077
  116    HA3  GLY  14           HA3      GLY  14  10.515   1.316   6.306
  117    H    THR  15           H        THR  15   9.825   0.390   2.944
  118    HA   THR  15           HA       THR  15   7.732   2.494   2.984
  119    HB   THR  15           HB       THR  15   9.128   1.202   0.643
  120    HG1  THR  15           HG1      THR  15  10.588   2.214   1.784
  121   HG21  THR  15          HG21      THR  15   7.640   3.844   0.747
  122   HG22  THR  15          HG22      THR  15   8.382   3.052  -0.669
  123   HG23  THR  15          HG23      THR  15   6.944   2.349   0.089
  124    H    VAL  16           H        VAL  16   5.627   1.931   3.082
  125    HA   VAL  16           HA       VAL  16   4.901  -0.892   2.660
  126    HB   VAL  16           HB       VAL  16   3.694   1.476   4.086
  127   HG11  VAL  16          HG11      VAL  16   1.702   0.115   4.676
  128   HG12  VAL  16          HG12      VAL  16   1.714   0.562   2.971
  129   HG13  VAL  16          HG13      VAL  16   2.168  -1.091   3.458
  130   HG21  VAL  16          HG21      VAL  16   5.329  -0.108   5.184
  131   HG22  VAL  16          HG22      VAL  16   3.742  -0.070   5.972
  132   HG23  VAL  16          HG23      VAL  16   4.156  -1.422   4.899
  133    H    TYR  17           H        TYR  17   3.433  -1.669   1.250
  134    HA   TYR  17           HA       TYR  17   1.994   0.128  -0.587
  135    HB2  TYR  17           HB2      TYR  17   3.061  -0.848  -2.585
  136    HB3  TYR  17           HB3      TYR  17   4.256  -0.080  -1.583
  137    HD1  TYR  17           HD1      TYR  17   5.874  -1.326  -0.280
  138    HD2  TYR  17           HD2      TYR  17   3.206  -3.376  -2.991
  139    HE1  TYR  17           HE1      TYR  17   7.410  -3.242  -0.331
  140    HE2  TYR  17           HE2      TYR  17   4.758  -5.330  -3.014
  141    HH   TYR  17           HH       TYR  17   7.838  -5.307  -1.236
  142    H    TYR  18           H        TYR  18   0.645  -1.233  -2.105
  143    HA   TYR  18           HA       TYR  18   0.059  -3.962  -1.111
  144    HB2  TYR  18           HB2      TYR  18  -1.595  -1.874  -2.537
  145    HB3  TYR  18           HB3      TYR  18  -2.046  -3.581  -2.545
  146    HD1  TYR  18           HD2      TYR  18  -1.071  -0.829  -0.172
  147    HD2  TYR  18           HD1      TYR  18  -3.259  -4.516  -0.737
  148    HE1  TYR  18           HE2      TYR  18  -1.530  -0.860   2.122
  149    HE2  TYR  18           HE1      TYR  18  -4.102  -4.331   1.577
  150    HH   TYR  18           HH       TYR  18  -2.817  -1.870   3.862
  151    H    PHE  19           H        PHE  19  -0.068  -5.647  -2.361
  152    HA   PHE  19           HA       PHE  19   1.273  -5.582  -5.018
  153    HB2  PHE  19           HB2      PHE  19   2.633  -6.260  -3.114
  154    HB3  PHE  19           HB3      PHE  19   1.460  -7.495  -2.665
  155    HD1  PHE  19           HD2      PHE  19   1.229  -9.571  -4.021
  156    HD2  PHE  19           HD1      PHE  19   4.140  -6.535  -4.989
  157    HE1  PHE  19           HE2      PHE  19   2.466 -11.198  -5.441
  158    HE2  PHE  19           HE1      PHE  19   5.370  -8.132  -6.368
  159    HZ   PHE  19           HZ       PHE  19   4.527 -10.490  -6.628
  160    H    ASN  20           H        ASN  20  -0.128  -6.151  -6.566
  161    HA   ASN  20           HA       ASN  20  -2.481  -7.784  -6.182
  162    HB2  ASN  20           HB2      ASN  20  -2.177  -5.996  -7.934
  163    HB3  ASN  20           HB3      ASN  20  -0.993  -7.024  -8.708
  164   HD21  ASN  20          HD22      ASN  20  -4.455  -6.640  -7.949
  165   HD22  ASN  20          HD21      ASN  20  -4.949  -7.960  -9.005
  166    H    HIS  21           H        HIS  21  -2.052  -9.857  -5.367
  167    HA   HIS  21           HA       HIS  21   0.252 -11.356  -6.325
  168    HB2  HIS  21           HB2      HIS  21  -0.510 -13.105  -4.843
  169    HB3  HIS  21           HB3      HIS  21  -0.506 -11.550  -4.036
  170    HD2  HIS  21           HD2      HIS  21  -3.194 -13.760  -5.859
  171    HE1  HIS  21           HE1      HIS  21  -4.995 -11.937  -2.447
  172    HE2  HIS  21           HE2      HIS  21  -5.382 -13.535  -4.408
  173    H    ILE  22           H        ILE  22  -2.406 -10.656  -8.104
  174    HA   ILE  22           HA       ILE  22  -2.595 -13.331  -9.380
  175    HB   ILE  22           HB       ILE  22  -4.171 -10.782  -9.925
  176   HG12  ILE  22          HG12      ILE  22  -4.967 -13.228  -8.279
  177   HG13  ILE  22          HG13      ILE  22  -4.595 -11.636  -7.621
  178   HG21  ILE  22          HG21      ILE  22  -5.720 -12.277 -11.154
  179   HG22  ILE  22          HG22      ILE  22  -4.125 -12.303 -11.865
  180   HG23  ILE  22          HG23      ILE  22  -4.642 -13.655 -10.835
  181   HD11  ILE  22          HD11      ILE  22  -6.996 -12.333  -9.326
  182   HD12  ILE  22          HD12      ILE  22  -6.950 -11.840  -7.632
  183   HD13  ILE  22          HD13      ILE  22  -6.517 -10.670  -8.893
  184    H    THR  23           H        THR  23  -0.990 -10.266  -9.662
  185    HA   THR  23           HA       THR  23   0.027 -10.963 -12.408
  186    HB   THR  23           HB       THR  23  -0.037  -8.545 -12.922
  187    HG1  THR  23           HG1      THR  23  -1.592  -8.334 -10.567
  188   HG21  THR  23          HG21      THR  23  -1.973  -9.935 -13.602
  189   HG22  THR  23          HG22      THR  23  -2.788  -9.553 -12.072
  190   HG23  THR  23          HG23      THR  23  -2.428  -8.261 -13.236
  191    H    ASN  24           H        ASN  24   0.869  -9.794  -9.220
  192    HA   ASN  24           HA       ASN  24   2.734  -9.360  -8.196
  193    HB2  ASN  24           HB2      ASN  24   4.366  -9.394 -10.754
  194    HB3  ASN  24           HB3      ASN  24   4.953  -9.435  -9.104
  195   HD21  ASN  24          HD22      ASN  24   3.388 -11.294 -11.626
  196   HD22  ASN  24          HD21      ASN  24   3.727 -12.874 -10.885
  197    H    ALA  25           H        ALA  25   0.980  -7.335 -10.062
  198    HA   ALA  25           HA       ALA  25   2.718  -5.066 -10.294
  199    HB1  ALA  25           HB1      ALA  25  -0.319  -5.205 -10.038
  200    HB2  ALA  25           HB2      ALA  25   0.625  -3.825 -10.629
  201    HB3  ALA  25           HB3      ALA  25   0.603  -5.341 -11.551
  202    H    SER  26           H        SER  26   3.441  -3.618  -8.759
  203    HA   SER  26           HA       SER  26   2.265  -3.708  -6.026
  204    HB2  SER  26           HB2      SER  26   4.492  -2.987  -5.275
  205    HB3  SER  26           HB3      SER  26   4.568  -4.532  -6.130
  206    HG   SER  26           HG       SER  26   4.902  -2.043  -7.452
  207    H    GLN  27           H        GLN  27   1.351  -1.833  -5.231
  208    HA   GLN  27           HA       GLN  27   2.313   0.750  -6.293
  209    HB2  GLN  27           HB2      GLN  27   0.391   0.046  -7.711
  210    HB3  GLN  27           HB3      GLN  27  -0.627  -0.063  -6.276
  211    HG2  GLN  27           HG2      GLN  27  -0.990   2.015  -7.583
  212    HG3  GLN  27           HG3      GLN  27  -0.489   2.348  -5.934
  213   HE21  GLN  27          HE22      GLN  27   0.475   2.641  -9.374
  214   HE22  GLN  27          HE21      GLN  27   1.902   3.582  -8.968
  215    H    PHE  28           H        PHE  28   2.038   2.502  -4.956
  216    HA   PHE  28           HA       PHE  28   2.133   1.877  -2.132
  217    HB2  PHE  28           HB2      PHE  28   2.348   4.507  -3.641
  218    HB3  PHE  28           HB3      PHE  28   2.794   4.243  -1.956
  219    HD1  PHE  28           HD2      PHE  28   4.486   2.295  -1.479
  220    HD2  PHE  28           HD1      PHE  28   4.054   4.257  -5.297
  221    HE1  PHE  28           HE2      PHE  28   6.760   1.573  -2.111
  222    HE2  PHE  28           HE1      PHE  28   6.338   3.519  -5.928
  223    HZ   PHE  28           HZ       PHE  28   7.702   2.182  -4.335
  224    H    GLU  29           H        GLU  29  -0.585   2.343  -3.952
  225    HA   GLU  29           HA       GLU  29  -2.084   3.922  -1.959
  226    HB2  GLU  29           HB2      GLU  29  -2.474   3.275  -4.755
  227    HB3  GLU  29           HB3      GLU  29  -3.855   2.692  -3.840
  228    HG2  GLU  29           HG2      GLU  29  -2.759   5.529  -3.576
  229    HG3  GLU  29           HG3      GLU  29  -4.010   5.062  -4.731
  230    H    ARG  30           H        ARG  30  -3.975   3.060  -0.976
  231    HA   ARG  30           HA       ARG  30  -3.610   0.246  -0.036
  232    HB2  ARG  30           HB2      ARG  30  -4.516   2.649   1.595
  233    HB3  ARG  30           HB3      ARG  30  -4.216   1.008   2.155
  234    HG2  ARG  30           HG2      ARG  30  -2.502   2.358   2.979
  235    HG3  ARG  30           HG3      ARG  30  -1.829   1.246   1.801
  236    HD2  ARG  30           HD2      ARG  30  -0.791   3.465   1.752
  237    HD3  ARG  30           HD3      ARG  30  -1.484   2.983   0.216
  238    HE   ARG  30           HE       ARG  30  -3.337   4.622   1.800
  239   HH11  ARG  30          HH11      ARG  30  -0.553   4.903  -0.387
  240   HH12  ARG  30          HH12      ARG  30  -0.907   6.589  -0.694
  241   HH21  ARG  30          HH21      ARG  30  -3.882   6.598   1.087
  242   HH22  ARG  30          HH22      ARG  30  -2.771   7.538   0.117
  243    HA   PRO  31           HA       PRO  31  -7.939  -0.568  -0.782
  244    HB2  PRO  31           HB2      PRO  31  -8.353  -1.367   2.065
  245    HB3  PRO  31           HB3      PRO  31  -8.715  -2.277   0.574
  246    HG2  PRO  31           HG2      PRO  31  -6.541  -2.825   2.174
  247    HG3  PRO  31           HG3      PRO  31  -6.505  -3.044   0.408
  248    HD2  PRO  31           HD2      PRO  31  -5.315  -0.858   2.057
  249    HD3  PRO  31           HD3      PRO  31  -4.750  -1.560   0.507
  250    H    SER  32           H        SER  32  -7.432   0.715   2.180
  251    HA   SER  32           HA       SER  32  -9.622   2.774   2.184
  252    HB2  SER  32           HB2      SER  32  -9.395   1.220   4.147
  253    HB3  SER  32           HB3      SER  32  -7.823   1.965   4.503
  254    HG   SER  32           HG       SER  32  -9.691   2.876   5.627
  255    H    GLY  33           H        GLY  33  -8.386   4.551   3.914
  256    HA2  GLY  33           HA2      GLY  33  -7.435   6.744   2.933
  257    HA3  GLY  33           HA3      GLY  33  -6.572   6.030   4.290
  258    H1   NAG 101           H1       NAG  34  11.287   1.023  -0.463
  259    H2   NAG 101           H2       NAG  34  12.526   3.220  -2.199
  260    H3   NAG 101           H3       NAG  34   9.923   1.601  -2.233
  261    H4   NAG 101           H4       NAG  34  12.274   1.826  -4.154
  262    H5   NAG 101           H5       NAG  34  11.319  -0.497  -2.444
  263    H61  NAG 101           H61      NAG  34  13.199  -1.753  -3.122
  264    H62  NAG 101           H62      NAG  34  12.581  -1.076  -4.631
  265    H81  NAG 101           H2M      NAG  34   9.155   5.817  -0.134
  266    H82  NAG 101           H3M      NAG  34  10.356   7.033  -0.624
  267    H83  NAG 101           H1M      NAG  34  10.734   5.890   0.683
  268    HN2  NAG 101           H2N      NAG  34  10.715   3.522   0.057
  269    HO3  NAG 101           H3O      NAG  34  10.404   4.083  -3.268
  270    HO4  NAG 101           H4O      NAG  34  10.038   1.492  -4.851
  271    HO6  NAG 101           H6O      NAG  34  14.543   0.210  -3.012
  Start of MODEL   20
    1    H1   LYS   1           H1       LYS   1 -12.461  -0.789  -2.932
    2    H2   LYS   1           H2       LYS   1 -12.791   0.428  -1.857
    3    H3   LYS   1           H3       LYS   1 -11.590  -0.580  -1.524
    4    HA   LYS   1           HA       LYS   1 -11.718   1.444  -3.642
    5    HB2  LYS   1           HB2      LYS   1 -11.130   2.273  -1.443
    6    HB3  LYS   1           HB3      LYS   1  -9.831   1.086  -1.290
    7    HG2  LYS   1           HG2      LYS   1  -8.638   2.204  -3.196
    8    HG3  LYS   1           HG3      LYS   1  -9.976   3.375  -3.316
    9    HD2  LYS   1           HD2      LYS   1  -9.590   4.044  -0.969
   10    HD3  LYS   1           HD3      LYS   1  -8.277   2.861  -0.838
   11    HE2  LYS   1           HE2      LYS   1  -7.071   4.102  -2.672
   12    HE3  LYS   1           HE3      LYS   1  -8.327   5.353  -2.576
   13    HZ1  LYS   1           HZ1      LYS   1  -6.565   4.455  -0.368
   14    HZ2  LYS   1           HZ2      LYS   1  -6.392   5.865  -1.165
   15    HZ3  LYS   1           HZ3      LYS   1  -7.748   5.582  -0.189
   16    H    LEU   2           H        LEU   2  -8.825  -0.444  -2.476
   17    HA   LEU   2           HA       LEU   2  -8.129  -0.933  -5.220
   18    HB2  LEU   2           HB2      LEU   2  -6.349  -2.388  -4.284
   19    HB3  LEU   2           HB3      LEU   2  -6.344  -0.706  -3.810
   20    HG   LEU   2           HG       LEU   2  -7.203  -1.326  -1.539
   21   HD11  LEU   2          HD11      LEU   2  -6.874  -3.747  -0.860
   22   HD12  LEU   2          HD12      LEU   2  -8.317  -3.448  -1.828
   23   HD13  LEU   2          HD13      LEU   2  -6.877  -4.172  -2.577
   24   HD21  LEU   2          HD21      LEU   2  -4.807  -1.016  -2.056
   25   HD22  LEU   2          HD22      LEU   2  -5.108  -2.196  -0.776
   26   HD23  LEU   2          HD23      LEU   2  -4.679  -2.758  -2.403
   27    HA   PRO   3           HA       PRO   3 -10.608  -4.531  -5.805
   28    HB2  PRO   3           HB2      PRO   3  -9.571  -5.564  -8.120
   29    HB3  PRO   3           HB3      PRO   3 -10.402  -3.983  -8.042
   30    HG2  PRO   3           HG2      PRO   3  -7.451  -4.568  -8.026
   31    HG3  PRO   3           HG3      PRO   3  -8.323  -3.340  -8.987
   32    HD2  PRO   3           HD2      PRO   3  -7.024  -2.779  -6.607
   33    HD3  PRO   3           HD3      PRO   3  -8.463  -1.880  -7.181
   34    HA   PRO   4           HA       PRO   4  -9.153  -8.319  -4.111
   35    HB2  PRO   4           HB2      PRO   4  -9.630  -9.654  -6.788
   36    HB3  PRO   4           HB3      PRO   4 -10.015 -10.266  -5.146
   37    HG2  PRO   4           HG2      PRO   4 -11.956  -9.103  -6.614
   38    HG3  PRO   4           HG3      PRO   4 -11.777  -8.654  -4.885
   39    HD2  PRO   4           HD2      PRO   4 -10.846  -7.159  -7.330
   40    HD3  PRO   4           HD3      PRO   4 -11.609  -6.524  -5.841
   41    H    GLY   5           H        GLY   5  -7.306  -9.358  -3.677
   42    HA2  GLY   5           HA2      GLY   5  -5.325 -10.490  -4.036
   43    HA3  GLY   5           HA3      GLY   5  -5.314  -9.982  -5.724
   44    H    TRP   6           H        TRP   6  -5.683  -7.002  -4.489
   45    HA   TRP   6           HA       TRP   6  -2.810  -6.453  -4.335
   46    HB2  TRP   6           HB2      TRP   6  -5.292  -4.716  -4.193
   47    HB3  TRP   6           HB3      TRP   6  -3.643  -4.122  -4.128
   48    HD1  TRP   6           HD1      TRP   6  -6.053  -5.877  -6.541
   49    HE1  TRP   6           HE1      TRP   6  -5.415  -5.283  -8.960
   50    HE3  TRP   6           HE3      TRP   6  -1.701  -3.310  -5.648
   51    HZ2  TRP   6           HZ2      TRP   6  -3.343  -3.857 -10.326
   52    HZ3  TRP   6           HZ3      TRP   6  -0.439  -2.340  -7.550
   53    HH2  TRP   6           HH2      TRP   6  -1.241  -2.586  -9.871
   54    H    GLU   7           H        GLU   7  -1.861  -7.083  -2.410
   55    HA   GLU   7           HA       GLU   7  -3.201  -6.204   0.104
   56    HB2  GLU   7           HB2      GLU   7  -2.722  -8.382   1.085
   57    HB3  GLU   7           HB3      GLU   7  -3.834  -8.420  -0.257
   58    HG2  GLU   7           HG2      GLU   7  -2.551 -10.328  -0.552
   59    HG3  GLU   7           HG3      GLU   7  -1.932  -9.213  -1.760
   60    H    LYS   8           H        LYS   8  -2.027  -5.836   1.914
   61    HA   LYS   8           HA       LYS   8   0.056  -4.188   1.591
   62    HB2  LYS   8           HB2      LYS   8   0.095  -3.826   3.833
   63    HB3  LYS   8           HB3      LYS   8  -1.547  -4.323   3.518
   64    HG2  LYS   8           HG2      LYS   8   0.562  -6.186   4.713
   65    HG3  LYS   8           HG3      LYS   8  -0.378  -5.071   5.649
   66    HD2  LYS   8           HD2      LYS   8  -1.344  -7.212   5.905
   67    HD3  LYS   8           HD3      LYS   8  -2.473  -6.160   5.072
   68    HE2  LYS   8           HE2      LYS   8  -2.510  -8.483   4.230
   69    HE3  LYS   8           HE3      LYS   8  -2.119  -7.317   2.979
   70    HZ1  LYS   8           HZ1      LYS   8  -0.616  -9.081   2.710
   71    HZ2  LYS   8           HZ2      LYS   8   0.250  -7.881   3.350
   72    HZ3  LYS   8           HZ3      LYS   8  -0.221  -9.136   4.329
   73    H    ARG   9           H        ARG   9   2.149  -4.099   1.372
   74    HA   ARG   9           HA       ARG   9   3.971  -6.309   2.074
   75    HB2  ARG   9           HB2      ARG   9   2.875  -6.373  -0.262
   76    HB3  ARG   9           HB3      ARG   9   3.608  -4.820  -0.567
   77    HG2  ARG   9           HG2      ARG   9   4.753  -6.514  -1.653
   78    HG3  ARG   9           HG3      ARG   9   5.843  -5.816  -0.486
   79    HD2  ARG   9           HD2      ARG   9   5.610  -8.492  -0.936
   80    HD3  ARG   9           HD3      ARG   9   6.271  -7.761   0.521
   81    HE   ARG   9           HE       ARG   9   4.431  -8.418   1.748
   82   HH11  ARG   9          HH11      ARG   9   3.638  -9.323  -1.613
   83   HH12  ARG   9          HH12      ARG   9   1.987  -9.714  -1.061
   84   HH21  ARG   9          HH22      ARG   9   2.191  -8.516   1.964
   85   HH22  ARG   9          HH21      ARG   9   1.329  -9.538   0.871
   86    H    MET  10           H        MET  10   6.314  -5.527   1.519
   87    HA   MET  10           HA       MET  10   6.780  -2.694   2.064
   88    HB2  MET  10           HB2      MET  10   7.965  -3.131   4.128
   89    HB3  MET  10           HB3      MET  10   6.294  -3.655   4.277
   90    HG2  MET  10           HG2      MET  10   8.668  -5.497   3.793
   91    HG3  MET  10           HG3      MET  10   7.931  -5.169   5.351
   92    HE1  MET  10           HE1      MET  10   8.523  -8.065   4.099
   93    HE2  MET  10           HE2      MET  10   7.883  -7.783   5.737
   94    HE3  MET  10           HE3      MET  10   7.069  -8.930   4.648
   95    H    PHE  11           H        PHE  11   8.724  -1.989   1.436
   96    HA   PHE  11           HA       PHE  11  10.583  -3.760  -0.006
   97    HB2  PHE  11           HB2      PHE  11  10.367  -0.788   0.441
   98    HB3  PHE  11           HB3      PHE  11  11.743  -1.519  -0.363
   99    HD1  PHE  11           HD1      PHE  11  11.209  -3.195  -2.324
  100    HD2  PHE  11           HD2      PHE  11   8.504  -0.080  -0.980
  101    HE1  PHE  11           HE1      PHE  11  10.103  -3.186  -4.539
  102    HE2  PHE  11           HE2      PHE  11   7.451  -0.082  -3.226
  103    HZ   PHE  11           HZ       PHE  11   8.245  -1.605  -4.991
  104    H    ALA  12           H        ALA  12  12.880  -3.864   0.511
  105    HA   ALA  12           HA       ALA  12  13.471  -4.333   3.213
  106    HB1  ALA  12           HB1      ALA  12  15.761  -4.676   2.379
  107    HB2  ALA  12           HB2      ALA  12  14.575  -5.415   1.290
  108    HB3  ALA  12           HB3      ALA  12  15.346  -3.869   0.852
  109    H    ASN  13           H        ASN  13  13.425  -1.258   1.669
  110    HA   ASN  13           HA       ASN  13  15.218   0.027   3.635
  111    HB2  ASN  13           HB2      ASN  13  14.740   2.069   2.333
  112    HB3  ASN  13           HB3      ASN  13  15.338   0.765   1.308
  113   HD21  ASN  13          HD21      ASN  13  14.362   2.120  -0.472
  114    H    GLY  14           H        GLY  14  12.080  -1.153   3.811
  115    HA2  GLY  14           HA2      GLY  14  10.670  -0.840   5.641
  116    HA3  GLY  14           HA3      GLY  14  11.345   0.762   5.944
  117    H    THR  15           H        THR  15  10.409   0.140   2.587
  118    HA   THR  15           HA       THR  15   8.351   2.251   2.929
  119    HB   THR  15           HB       THR  15   9.552   1.136   0.396
  120    HG1  THR  15           HG1      THR  15  11.118   2.013   1.507
  121   HG21  THR  15          HG21      THR  15   8.151   3.790   0.838
  122   HG22  THR  15          HG22      THR  15   8.770   3.113  -0.691
  123   HG23  THR  15          HG23      THR  15   7.367   2.374   0.105
  124    H    VAL  16           H        VAL  16   6.254   1.711   3.125
  125    HA   VAL  16           HA       VAL  16   5.440  -1.046   2.480
  126    HB   VAL  16           HB       VAL  16   4.326   1.169   4.206
  127   HG11  VAL  16          HG11      VAL  16   2.304   0.239   3.166
  128   HG12  VAL  16          HG12      VAL  16   2.860  -1.417   3.511
  129   HG13  VAL  16          HG13      VAL  16   2.438  -0.313   4.835
  130   HG21  VAL  16          HG21      VAL  16   5.005  -1.757   4.733
  131   HG22  VAL  16          HG22      VAL  16   6.100  -0.392   5.072
  132   HG23  VAL  16          HG23      VAL  16   4.570  -0.540   5.951
  133    H    TYR  17           H        TYR  17   3.825  -1.637   1.169
  134    HA   TYR  17           HA       TYR  17   2.296   0.296  -0.421
  135    HB2  TYR  17           HB2      TYR  17   3.203  -0.518  -2.554
  136    HB3  TYR  17           HB3      TYR  17   4.477   0.176  -1.581
  137    HD1  TYR  17           HD2      TYR  17   6.175  -1.179  -0.491
  138    HD2  TYR  17           HD1      TYR  17   3.303  -2.935  -3.179
  139    HE1  TYR  17           HE2      TYR  17   7.719  -3.050  -0.904
  140    HE2  TYR  17           HE1      TYR  17   4.893  -4.797  -3.641
  141    HH   TYR  17           HH       TYR  17   8.145  -4.893  -2.217
  142    H    TYR  18           H        TYR  18   0.877  -1.051  -2.020
  143    HA   TYR  18           HA       TYR  18   0.186  -3.730  -0.937
  144    HB2  TYR  18           HB2      TYR  18  -1.416  -1.623  -2.415
  145    HB3  TYR  18           HB3      TYR  18  -1.956  -3.297  -2.246
  146    HD1  TYR  18           HD2      TYR  18  -0.564  -0.510  -0.110
  147    HD2  TYR  18           HD1      TYR  18  -3.308  -3.827  -0.385
  148    HE1  TYR  18           HE2      TYR  18  -0.999  -0.270   2.208
  149    HE2  TYR  18           HE1      TYR  18  -4.021  -3.397   1.954
  150    HH   TYR  18           HH       TYR  18  -2.307  -1.033   4.042
  151    H    PHE  19           H        PHE  19   0.239  -5.496  -2.107
  152    HA   PHE  19           HA       PHE  19   1.469  -5.370  -4.822
  153    HB2  PHE  19           HB2      PHE  19   2.983  -5.970  -3.021
  154    HB3  PHE  19           HB3      PHE  19   1.865  -7.174  -2.408
  155    HD1  PHE  19           HD1      PHE  19   4.176  -6.338  -5.194
  156    HD2  PHE  19           HD2      PHE  19   1.670  -9.379  -3.434
  157    HE1  PHE  19           HE1      PHE  19   5.307  -8.029  -6.553
  158    HE2  PHE  19           HE2      PHE  19   2.841 -11.107  -4.772
  159    HZ   PHE  19           HZ       PHE  19   4.681 -10.454  -6.319
  160    H    ASN  20           H        ASN  20   0.355  -6.370  -6.407
  161    HA   ASN  20           HA       ASN  20  -2.061  -7.872  -5.788
  162    HB2  ASN  20           HB2      ASN  20  -1.940  -6.298  -7.706
  163    HB3  ASN  20           HB3      ASN  20  -0.749  -7.349  -8.456
  164   HD21  ASN  20          HD22      ASN  20  -4.176  -7.120  -7.422
  165   HD22  ASN  20          HD21      ASN  20  -4.678  -8.566  -8.269
  166    H    HIS  21           H        HIS  21  -1.558  -9.832  -4.783
  167    HA   HIS  21           HA       HIS  21   0.688 -11.419  -5.598
  168    HB2  HIS  21           HB2      HIS  21  -0.002 -12.994  -4.021
  169    HB3  HIS  21           HB3      HIS  21  -0.442 -11.438  -3.347
  170    HD2  HIS  21           HD2      HIS  21  -2.025 -14.551  -5.052
  171    HE1  HIS  21           HE1      HIS  21  -5.091 -12.667  -2.766
  172    HE2  HIS  21           HE2      HIS  21  -4.511 -14.706  -4.195
  173    H    ILE  22           H        ILE  22  -2.069 -10.951  -7.451
  174    HA   ILE  22           HA       ILE  22  -2.164 -13.715  -8.513
  175    HB   ILE  22           HB       ILE  22  -3.857 -11.282  -9.210
  176   HG12  ILE  22          HG12      ILE  22  -4.524 -13.584  -7.317
  177   HG13  ILE  22          HG13      ILE  22  -4.125 -11.946  -6.804
  178   HG21  ILE  22          HG21      ILE  22  -3.861 -12.982 -10.994
  179   HG22  ILE  22          HG22      ILE  22  -4.269 -14.242  -9.812
  180   HG23  ILE  22          HG23      ILE  22  -5.415 -12.940 -10.200
  181   HD11  ILE  22          HD11      ILE  22  -6.608 -12.769  -8.328
  182   HD12  ILE  22          HD12      ILE  22  -6.476 -12.142  -6.682
  183   HD13  ILE  22          HD13      ILE  22  -6.110 -11.079  -8.054
  184    H    THR  23           H        THR  23  -0.727 -10.628  -9.166
  185    HA   THR  23           HA       THR  23   0.165 -11.521 -11.900
  186    HB   THR  23           HB       THR  23  -0.065  -9.178 -12.634
  187    HG1  THR  23           HG1      THR  23  -1.457  -8.809 -10.195
  188   HG21  THR  23          HG21      THR  23  -2.481  -9.035 -12.810
  189   HG22  THR  23          HG22      THR  23  -1.971 -10.721 -13.030
  190   HG23  THR  23          HG23      THR  23  -2.701 -10.208 -11.495
  191    H    ASN  24           H        ASN  24   1.107  -9.978  -8.901
  192    HA   ASN  24           HA       ASN  24   3.018  -9.345  -8.046
  193    HB2  ASN  24           HB2      ASN  24   4.514  -9.630 -10.670
  194    HB3  ASN  24           HB3      ASN  24   5.184  -9.456  -9.061
  195   HD21  ASN  24          HD22      ASN  24   3.538 -11.655 -11.246
  196   HD22  ASN  24          HD21      ASN  24   3.999 -13.122 -10.355
  197    H    ALA  25           H        ALA  25   1.078  -7.639 -10.009
  198    HA   ALA  25           HA       ALA  25   2.629  -5.246 -10.439
  199    HB1  ALA  25           HB1      ALA  25  -0.368  -5.584  -9.979
  200    HB2  ALA  25           HB2      ALA  25   0.447  -4.184 -10.710
  201    HB3  ALA  25           HB3      ALA  25   0.456  -5.747 -11.545
  202    H    SER  26           H        SER  26   2.342  -3.137  -9.131
  203    HA   SER  26           HA       SER  26   1.673  -3.539  -6.309
  204    HB2  SER  26           HB2      SER  26   3.885  -2.869  -5.494
  205    HB3  SER  26           HB3      SER  26   3.950  -4.379  -6.390
  206    HG   SER  26           HG       SER  26   4.764  -3.276  -8.159
  207    H    GLN  27           H        GLN  27   1.393  -1.669  -5.111
  208    HA   GLN  27           HA       GLN  27   1.476   0.978  -6.441
  209    HB2  GLN  27           HB2      GLN  27  -0.626   0.058  -7.187
  210    HB3  GLN  27           HB3      GLN  27  -1.000  -0.583  -5.586
  211    HG2  GLN  27           HG2      GLN  27  -2.355   1.397  -6.184
  212    HG3  GLN  27           HG3      GLN  27  -1.434   1.615  -4.704
  213   HE21  GLN  27          HE22      GLN  27  -1.391   2.444  -8.266
  214   HE22  GLN  27          HE21      GLN  27  -0.461   3.902  -7.961
  215    H    PHE  28           H        PHE  28   1.962   2.558  -4.934
  216    HA   PHE  28           HA       PHE  28   2.484   1.836  -2.183
  217    HB2  PHE  28           HB2      PHE  28   2.458   4.497  -3.652
  218    HB3  PHE  28           HB3      PHE  28   2.957   4.287  -1.975
  219    HD1  PHE  28           HD2      PHE  28   4.800   2.543  -1.462
  220    HD2  PHE  28           HD1      PHE  28   4.117   4.244  -5.367
  221    HE1  PHE  28           HE2      PHE  28   7.094   1.911  -2.143
  222    HE2  PHE  28           HE1      PHE  28   6.423   3.622  -6.038
  223    HZ   PHE  28           HZ       PHE  28   7.917   2.457  -4.427
  224    H    GLU  29           H        GLU  29  -0.280   3.466  -3.804
  225    HA   GLU  29           HA       GLU  29  -1.389   4.436  -1.366
  226    HB2  GLU  29           HB2      GLU  29  -2.172   4.400  -4.146
  227    HB3  GLU  29           HB3      GLU  29  -3.544   3.859  -3.192
  228    HG2  GLU  29           HG2      GLU  29  -1.970   6.417  -2.653
  229    HG3  GLU  29           HG3      GLU  29  -3.456   6.328  -3.597
  230    H    ARG  30           H        ARG  30  -3.207   3.830  -0.244
  231    HA   ARG  30           HA       ARG  30  -3.583   0.906   0.097
  232    HB2  ARG  30           HB2      ARG  30  -3.239   1.147   2.516
  233    HB3  ARG  30           HB3      ARG  30  -1.851   1.531   1.508
  234    HG2  ARG  30           HG2      ARG  30  -2.003   2.865   3.504
  235    HG3  ARG  30           HG3      ARG  30  -1.854   3.762   2.016
  236    HD2  ARG  30           HD2      ARG  30  -4.593   3.287   3.260
  237    HD3  ARG  30           HD3      ARG  30  -3.511   4.490   3.970
  238    HE   ARG  30           HE       ARG  30  -3.572   5.132   1.227
  239   HH11  ARG  30          HH11      ARG  30  -6.245   4.772   3.384
  240   HH12  ARG  30          HH12      ARG  30  -6.865   6.368   3.038
  241   HH21  ARG  30          HH21      ARG  30  -4.675   6.673   0.381
  242   HH22  ARG  30          HH22      ARG  30  -5.967   7.486   1.265
  243    HA   PRO  31           HA       PRO  31  -7.863   1.140   0.526
  244    HB2  PRO  31           HB2      PRO  31  -7.660   0.079   3.343
  245    HB3  PRO  31           HB3      PRO  31  -8.772  -0.419   2.025
  246    HG2  PRO  31           HG2      PRO  31  -6.575  -1.878   2.548
  247    HG3  PRO  31           HG3      PRO  31  -6.996  -1.506   0.845
  248    HD2  PRO  31           HD2      PRO  31  -4.969  -0.159   2.631
  249    HD3  PRO  31           HD3      PRO  31  -4.801  -0.648   0.917
  250    H    SER  32           H        SER  32  -9.669   1.955   1.497
  251    HA   SER  32           HA       SER  32 -10.286   3.497   3.633
  252    HB2  SER  32           HB2      SER  32 -10.164   5.834   2.925
  253    HB3  SER  32           HB3      SER  32  -8.553   5.163   3.121
  254    HG   SER  32           HG       SER  32 -10.023   5.345   0.725
  255    H    GLY  33           H        GLY  33 -11.959   2.050   2.919
  256    HA2  GLY  33           HA2      GLY  33 -14.108   1.748   2.045
  257    HA3  GLY  33           HA3      GLY  33 -13.882   3.130   0.957
  258    H1   NAG 101           H1       NAG  34  11.633   1.019  -0.872
  259    H2   NAG 101           H2       NAG  34  12.818   3.338  -2.480
  260    H3   NAG 101           H3       NAG  34  10.174   1.786  -2.480
  261    H4   NAG 101           H4       NAG  34  12.397   2.149  -4.527
  262    H5   NAG 101           H5       NAG  34  11.500  -0.310  -2.984
  263    H61  NAG 101           H61      NAG  34  13.332  -1.516  -3.888
  264    H62  NAG 101           H62      NAG  34  12.587  -0.726  -5.282
  265    H81  NAG 101           H2M      NAG  34  11.313   5.799   0.734
  266    H82  NAG 101           H3M      NAG  34   9.677   5.814   0.034
  267    H83  NAG 101           H1M      NAG  34  10.863   7.050  -0.444
  268    HN2  NAG 101           H2N      NAG  34  11.168   3.482  -0.088
  269    HO3  NAG 101           H3O      NAG  34  10.661   4.346  -3.320
  270    HO4  NAG 101           H4O      NAG  34  10.124   1.929  -5.116
  271    HO6  NAG 101           H6O      NAG  34  14.705   0.410  -3.743