*HEADER    ELECTRON TRANSPORT                      21-FEB-00   1EHJ              
*TITLE     A PROTON-NMR INVESTIGATION OF THE FULLY REDUCED CYTOCHROME            
*TITLE    2 C7 FROM DESULFUROMONAS ACETOXIDANS                                   
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: CYTOCHROME C7;                                             
*COMPND   3 CHAIN: A                                                             
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: DESULFUROMONAS ACETOXIDANS;                     
*SOURCE   3 ORGANISM_COMMON: BACTERIA                                            
*KEYWDS    MULTI-HEME                                                            
*EXPDTA    NMR, MINIMIZED AVERAGE STRUCTURE                                      
*AUTHOR    M.ASSFALG, L.BANCI, I.BERTINI, M.BRUSCHI, M.T.GIUDICI-                
*AUTHOR   2 ORTICONI                                                             
*REVDAT   1   10-MAY-00 1EHJ    0 


Experimental NOESY cross peak intensities (last column) 
and corresponding upper distance limits (5th column). 
Heme I, III, and IV are called HEM 69, 70, 71, respectively. 


residue atom        |      residue  atom  | distance    |      cross
      peak
      intensity

2 ASP- HN 2 ASP- HB2 4.4 3531
 HN 3 VAL HN 4.5 3090
 HN 18 LYS+ HB3 4.9 1205
 HN 18 LYS+ HG3 5.9 389
 HN 18 LYS+ HD2 4.9 1237
 HA 2 ASP- HB2 3.4 17420
 HA 3 VAL HN 4.1 5509
 HA 17 HIS HN 5.8 932.3
 HA 17 HIS HB2 4.5 2034
 HA 17 HIS HB3 4.5 1944
 HA 18 LYS+ HN 4.3 4143
 HA 18 LYS+ HA 5.7 954
 HA 18 LYS+ HB2 3.3 12400
 HA 18 LYS+ HB3 3.4 11940
 HA 19 ALA HN 6.1 700.7
 HB2 3 VAL HN 3.7 9998
 HB2 18 LYS+ HN 4.8 1301
 HB2 18 LYS+ HB2 3.4 11970
 HB2 18 LYS+ HB3 3.6 8047
 HB2 18 LYS+ HD3 3.3 13020
3 VAL HN 3 VAL HA 4.3 4047
 HN 3 VAL QG1 4.5 26920
 HN 3 VAL QG2 5.2 11310
 HN 4 VAL HN 5.6 819.6
 HN 4 VAL QG2 7.5 1494
 HN 17 HIS HB2 5.7 459
 HN 18 LYS+ HN 6.5 499
 HA 3 VAL QG1 5.6 7233
 HA 3 VAL QG2 4.3 36160
 HA 4 VAL HN 2.8 51830
 HA 4 VAL HB 4.7 2372
 HA 4 VAL QG2 6.5 3653
 HA 17 HIS HN 3.8 7865
 HA 17 HIS HB2 4.4 2461
 HA 18 LYS+ HN 5.6 1044
 QG1 4 VAL HN 6.6 3335
 QG2 14 THR HB 6.4 4006
4 VAL HN 4 VAL HA 3.4 16040
 HN 4 VAL HB 3.4 15160
 HN 4 VAL QG1 4.5 27990
 HN 4 VAL QG2 5.5 7508
 HN 5 THR HN 5.1 1346
 HN 5 THR QG2 7.5 1633
 HN 6 TYR HN 6.5 191
 HN 6 TYR CZ 7.9 405
 HN 15 PHE HN 5.1 1727
 HN 15 PHE HB2 4.8 1335
 HN 15 PHE CG 8.5 162.5
 HN 17 HIS HN 5.6 1054
 HN 17 HIS HA 6.3 584
 HN 18 LYS+ HN 6.5 271
 HA 4 VAL HB 5.9 579.7
 HA 4 VAL QG1 4.1 44180
 HA 4 VAL QG2 4.5 27200
 HA 5 THR HN 2.8 54730
 HA 6 TYR CZ 8 347
 HB 4 VAL QG1 4.4 30490
 HB 4 VAL QG2 4.6 22710
 HB 5 THR HN 4.5 3087
 HB 6 TYR CZ 6.8 1351.5
 HB 15 PHE CG 6.7 1461
 HB 15 PHE CZ 7.2 818.5
 QG1 5 THR HN 4.4 26620
 QG1 5 THR HA 6.6 3521
 QG1 5 THR HB 6.5 3672
 QG1 5 THR QG2 4.5 83310
 QG1 6 TYR HN 6.6 3430
 QG1 6 TYR CG 8.7 3045
 QG1 6 TYR CZ 8 5310
 QG1 7 GLU- HN 7.5 426
 QG1 13 VAL HN 7.5 485
 QG1 15 PHE HN 6.1 4947
 QG1 15 PHE CG 9.5 1526.5
 QG1 15 PHE CZ 8.5 3780
 QG2 5 THR HN 5.9 5898
 QG2 5 THR HA 7.5 140.7
 QG2 6 TYR HN 7.5 476
 QG2 6 TYR CG 9.5 339.5
 QG2 6 TYR CZ 9.4 1975.5
 QG2 15 PHE HN 7.5 652.1
 QG2 15 PHE CG 9.5 1778.5
 QG2 15 PHE CZ 9.5 1623.5
 QG2 17 HIS HN 7.5 1297
5 THR HN 5 THR HA 4.1 5382
 HN 5 THR HB 3.4 15330
 HN 5 THR QG2 5.4 8316
 HN 6 TYR HN 6.2 433.5
 HN 6 TYR CG 7.9 406
 HN 7 GLU- HN 6.5 242
 HN 15 PHE HN 5.6 1045
 HN 15 PHE CZ 7.9 393.5
 HA 5 THR HB 4.4 3610
 HA 5 THR QG2 4.7 19290
 HA 6 TYR HN 3.4 16400
 HA 12 ASN HB3 6.3 251
 HA 13 VAL HN 6.3 571
 HA 15 PHE HN 3.9 7073
 HA 15 PHE HZ 5 1103
 HB 5 THR QG2 4.3 34350
 HB 6 TYR HN 4.6 2661
 HB 7 GLU- HN 5.9 441
 HB 13 VAL HN 6.3 269
 HB 15 PHE HN 5.5 624
 QG2 6 TYR HN 6 5650
 QG2 6 TYR HA 6 5485
 QG2 6 TYR CG 9.5 1454.5
 QG2 6 TYR CZ 9.5 1101
 QG2 7 GLU- HN 6.3 4236
 QG2 7 GLU- HA 6.8 2896
 QG2 8 ASN HN 7.5 1115
 QG2 12 ASN HA 7.5 1534
 QG2 12 ASN HB2 4.9 15410
 QG2 12 ASN HB3 4.8 17780
 QG2 12 ASN HD21 5.4 9666
 QG2 12 ASN HD22 7.4 1960
 QG2 13 VAL HN 7.5 1672
 QG2 13 VAL HA 7.2 2193
6 TYR HN 6 TYR HA 4.5 3160
 HN 6 TYR HB2 4.5 3132
 HN 6 TYR HB3 4.6 2471
 HN 6 TYR CG 6.5 3416.5
 HN 6 TYR CZ 7.4 611.5
 HN 7 GLU- HN 5.4 942.9
 HN 7 GLU- HA 6.5 234
 HN 8 ASN HN 6.5 100
 HN 12 ASN HA 5.2 1543
 HN 12 ASN HB3 5.7 504
 HN 12 ASN HD22 6.5 181
 HN 13 VAL HN 5.4 1235
 HN 13 VAL HB 4.3 2617
 HN 14 THR HA 4.8 2270
 HA 6 TYR HB2 4.4 3401
 HA 6 TYR HB3 4 6433
 HA 6 TYR CG 4.9 7525
 HA 6 TYR CZ 6.5 861.5
 HA 7 GLU- HN 4.7 2277
 HA 7 GLU- HA 6.5 255
 HA 13 VAL HN 5.7 984
 HA 13 VAL QG1 5.4 9750
 HB2 6 TYR CG 6.7 2925.5
 HB2 6 TYR CZ 8.2 719.5
 HB2 7 GLU- HN 5.3 1158
 HB2 8 ASN HD21 6.1 330
 HB2 13 VAL HN 4.8 1405
 HB2 13 VAL HB 4.3 2544
 HB3 6 TYR CG 6.2 4728
 HB3 6 TYR CZ 7.5 1257
 HB3 7 GLU- HN 5.4 1027
 HB3 8 ASN HN 6.5 162
 HB3 8 ASN HD21 5.6 519
 HB3 8 ASN HD22 6.5 123
 HB3 13 VAL HN 5.1 901
 HB3 13 VAL HB 3.9 4807
 HB3 13 VAL QG1 5.4 8991
 HB3 13 VAL QG2 5.1 12150
 CG 6 TYR CZ 7.8 8640
 CG 7 GLU- HN 6.5 2090
 CG 7 GLU- QG 9.1 329.5
 CG 8 ASN HN 8.5 131
 CG 13 VAL HN 6.7 1543.5
 CG 13 VAL HA 8.5 160
 CG 13 VAL HB 5.9 4470
 CG 13 VAL QG1 8.3 4355
 CG 13 VAL QG2 9.5 1558.5
 CG 15 PHE HN 7.3 753
 CG 15 PHE HB2 7.1 985
 CG 15 PHE HB3 6.8 1304
 CG 15 PHE CG 10.5 111.8
 CG 15 PHE CZ 9.4 653.8
 CG 15 PHE HZ 7.7 503.5
 CG 39 ILE HB 7.2 856
 CG 39 ILE QG2 9.2 2204
 CG 70 HEM QM1 9.5 1682.5
 CG 70 HEM QT2 8.9 2654.5
 CG 71 HEM QM5 8.5 3625
 CZ 7 GLU- HN 8.5 105.5
 CZ 13 VAL QG1 9.5 1141
 CZ 13 VAL QG2 9.5 610
 CZ 15 PHE HN 7 1083
 CZ 15 PHE HB2 6.1 3782
 CZ 15 PHE HB3 6.2 2906.5
 CZ 15 PHE CG 9.6 534
 CZ 15 PHE CZ 8.2 3240
 CZ 15 PHE HZ 6.5 1933.5
 CZ 39 ILE HN 7.2 852.5
 CZ 39 ILE HB 5.9 5050
 CZ 39 ILE QG2 8.7 3071
 CZ 39 ILE HG12 7 1119.5
 CZ 39 ILE HG13 7 1118.5
 CZ 69 HEM QM5 9.5 764
 CZ 70 HEM QM1 9.4 1921.5
7 GLU- HN 7 GLU- HA 3.8 7973
 HN 7 GLU- HB2 3.4 16290
 HN 7 GLU- HB3 3.9 7355
 HN 7 GLU- QG 5.3 4646.5
 HN 8 ASN HN 6.1 484.1
 HN 12 ASN HA 5.9 803
 HN 12 ASN HD21 6.5 100
 HN 12 ASN HD22 6.2 287
 HN 13 VAL HN 6.5 223
 HN 13 VAL QG2 7.5 211
 HA 7 GLU- HB2 3.3 19860
 HA 7 GLU- QG 5.5 2393
 HA 8 ASN HN 3.2 23810
 HA 8 ASN HD21 5.8 435
 HA 12 ASN HN 6.5 333
 HA 12 ASN HB2 5.5 605
 HA 12 ASN HB3 4.4 2333
 HA 12 ASN HD21 5.2 793.3
 HA 12 ASN HD22 5.5 615
 HB2 7 GLU- QG 4.1 25040
 HB2 8 ASN HN 3.8 7868
 HB2 12 ASN HA 4.7 1446
 HB2 12 ASN HD21 4.4 2171
 HB2 12 ASN HD22 4.3 2799
 HB3 7 GLU- QG 4.5 12860
 HB3 8 ASN HN 4.4 3443
 HB3 12 ASN HA 5 1025
 HB3 12 ASN HD21 5.6 523
 HB3 12 ASN HD22 5.2 870
 QG 8 ASN HN 6.1 893
 QG 12 ASN HD21 7.3 250.5
 QG 12 ASN HD22 7.1 327
8 ASN HN 8 ASN HA 4.4 3359
 HN 8 ASN HB2 5.5 892
 HN 8 ASN HB3 4.9 1903
 HN 8 ASN HD21 5.4 1358
 HN 8 ASN HD22 6.5 301
 HN 9 LYS+ HN 6.5 165.6
 HN 9 LYS+ HA 5.4 1045
 HN 11 GLY HN 5.7 588
 HN 12 ASN HN 6.3 303.5
 HN 12 ASN HA 3.7 7222
 HN 12 ASN HB2 6.2 355
 HN 12 ASN HB3 5.9 466
 HN 12 ASN HD21 5.8 451
 HN 13 VAL HN 5 1895
 HN 13 VAL QG2 7.5 642
 HA 8 ASN HB2 3.7 9467
 HA 8 ASN HB3 3.7 10010
 HA 8 ASN HD21 6.5 262.4
 HA 9 LYS+ HN 3.5 13180
 HA 9 LYS+ HA 6.1 485.8
 HA 9 LYS+ HB2 5.7 715
 HA 9 LYS+ HB3 5.6 806.6
 HA 10 LYS+ HN 5 1266
 HA 11 GLY HN 6.5 97
 HB2 8 ASN HD21 6.1 769.4
 HB2 8 ASN HD22 6.5 161
 HB2 9 LYS+ HN 4 6008
 HB2 10 LYS+ HN 5.1 1094
 HB2 10 LYS+ QB 7.5 100.5
 HB2 11 GLY HN 6.5 88
 HB3 8 ASN HD21 4 6551
 HB3 8 ASN HD22 4.5 3706
 HB3 9 LYS+ HN 4.2 4628
 HB3 66 HIS HD1 4.4 2426
 HD21 9 LYS+ HN 5.7 482
 HD21 12 ASN HA 4.1 3639
 HD21 13 VAL QG2 6.5 3755
 HD21 66 HIS HD1 4.9 1211
 HD22 9 LYS+ HN 6.4 239
 HD22 11 GLY HN 5.3 774
 HD22 12 ASN HA 4 4174
 HD22 13 VAL HN 5.1 896
 HD22 13 VAL HB 6.5 201
 HD22 13 VAL QG2 5.9 5754
 HD22 66 HIS HD1 3.9 4648
 HD22 66 HIS HE1 4.9 1150
9 LYS+ HN 9 LYS+ HA 3.7 9322
 HN 9 LYS+ HB2 3.9 6716
 HN 9 LYS+ HB3 3.5 12710
 HN 9 LYS+ QG 5.1 5420
 HN 9 LYS+ QD 5.7 2701.5
 HN 9 LYS+ HE2 4.2 4842
 HN 9 LYS+ HE3 6.5 507.8
 HN 9 LYS+ QE 7 804
 HN 10 LYS+ HN 4.3 3795
 HN 10 LYS+ QB 7.5 103
 HN 11 GLY HN 5 1238
 HN 71 HEM QBP7 4.5 2021
 HN 71 HEM QM8 7.5 184
 HA 9 LYS+ HB2 3.5 15080
 HA 9 LYS+ HB3 3.7 9305
 HA 9 LYS+ QG 4.7 5460
 HA 9 LYS+ QD 5.3 4606
 HA 9 LYS+ HE2 5.2 1747
 HA 9 LYS+ HE3 5.2 1695
 HA 10 LYS+ HN 4.8 1998
 HA 11 GLY HN 5.4 749
 HB2 9 LYS+ QG 4.9 7680
 HB2 9 LYS+ QD 4.4 13915
 HB2 9 LYS+ QE 6.8 973.5
 HB2 10 LYS+ HN 4.6 2810
 HB2 11 GLY HN 6.5 65
 HB3 9 LYS+ QG 4.2 19325
 HB3 9 LYS+ QD 5 6460
 HB3 9 LYS+ HE2 5.3 1512
 HB3 9 LYS+ HE3 4.4 4103
 HB3 9 LYS+ QE 4.8 8330
 HB3 10 LYS+ HN 3.7 10080
 QG 9 LYS+ QE 7.2 1773.2
 QG 10 LYS+ HG3 7.5 61
 QD 9 LYS+ QE 7.2 1726
 QD 10 LYS+ HN 5.8 1427
10 LYS+ HN 10 LYS+ HA 4.2 4867
 HN 10 LYS+ QB 5 3296
 HN 10 LYS+ HG2 5 2083
 HN 10 LYS+ HG3 5.4 1347
 HN 10 LYS+ HE2 6 840.7
 HN 11 GLY HN 3.6 10820
 HN 66 HIS HD1 5.7 481.1
 HN 71 HEM QBP7 4.2 3062
 HN 71 HEM QM8 7.5 276.6
 HA 10 LYS+ QB 5.3 3923.5
 HA 10 LYS+ HG2 4.7 2873
 HA 10 LYS+ HG3 4.6 3152
 HA 10 LYS+ HE2 4 6120
 HA 10 LYS+ HE3 3.7 10070
 HA 11 GLY HN 4.9 1820
 QB 10 LYS+ HG2 6.2 1758.5
 QB 10 LYS+ HG3 5.7 2794.5
 QB 10 LYS+ HD3 7.5 25.6
 QB 10 LYS+ HE2 6.9 903
 QB 10 LYS+ HE3 4.4 13745
 QB 11 GLY HN 6.1 1427.5
 QB 66 HIS HB3 7.2 290.5
 QB 66 HIS HD1 5.7 1601.5
 QB 66 HIS HE1 5.6 1671
 QB 71 HEM QM8 8.5 891
 QB 71 HEM HDM 7.5 110.1
 HG2 10 LYS+ HD3 5.8 947.1
 HG2 10 LYS+ HE2 4.6 3321
 HG2 10 LYS+ HE3 3.6 10280
 HG2 71 HEM QM8 7.5 254.7
 HG2 71 HEM HDM 5.1 966.5
 HG3 10 LYS+ HD2 4.7 2741
 HG3 10 LYS+ HD3 4.6 3295
 HG3 10 LYS+ HE2 4 6257
 HG3 10 LYS+ HE3 3.6 11660
 HG3 11 GLY HN 5.3 767
 HG3 11 GLY HA2 5.7 471
 HG3 12 ASN HD22 6.3 263
 HG3 41 LYS+ HB3 5.5 578
 HG3 66 HIS HA 5.8 426
 HG3 66 HIS HB2 4.6 1856
 HG3 66 HIS HB3 5 1118
 HG3 66 HIS HD1 5 1120
 HG3 66 HIS HE1 3.9 4878
 HG3 71 HEM QBP7 5.9 404
 HG3 71 HEM QM8 7.3 2004
 HG3 71 HEM HDM 4.3 2552
 HG3 71 HEM QM1 7.5 1149
 HD2 10 LYS+ HE2 4.1 5677
 HD2 71 HEM QM8 7.5 804
 HD2 71 HEM QM1 5.9 6201
 HD3 10 LYS+ HE2 4.2 4794
 HD3 71 HEM HDM 5.9 373.9
 HD3 71 HEM QM1 7.5 908.8
 HE2 71 HEM HDM 4.3 2773
 HE2 71 HEM QM1 7.5 1409
 HE3 71 HEM QM8 5.4 9108
11 GLY HN 11 GLY HA1 4 6617
 HN 11 GLY HA2 4.2 4508
 HN 12 ASN HN 4.8 2042
 HN 12 ASN HA 6.5 321
 HN 13 VAL HN 5.8 490
 HN 13 VAL QG2 7.5 1571
 HN 66 HIS HA 6.5 86
 HN 66 HIS HB3 6.5 202
 HN 66 HIS HD1 4.1 3720
 HN 66 HIS HE1 5.1 983
 HN 67 ILE HN 6.5 147
 HN 71 HEM QBP7 5.8 445
 HA1 12 ASN HN 3.6 12550
 HA1 12 ASN HB3 6.5 200.3
 HA1 66 HIS HA 6.1 674.4
 HA1 67 ILE HN 6.2 629
 HA1 68 LYS+ HN 5.9 836.7
 HA1 68 LYS+ QG 7.5 174.7
 HA2 12 ASN HN 3.6 11070
 HA2 12 ASN HB2 6.5 86.4
 HA2 12 ASN HB3 6.5 247.5
 HA2 66 HIS HA 6.1 686.4
 HA2 67 ILE HN 6.5 80
 HA2 67 ILE HB 5.5 611
 HA2 67 ILE QG2 7.5 563
 HA2 68 LYS+ QG 6.2 851.5
12 ASN HN 12 ASN HA 4.2 4850
 HN 12 ASN HB2 3.7 10300
 HN 12 ASN HB3 4.2 4658
 HN 12 ASN HD21 6.5 376.4
 HN 12 ASN HD22 6.5 243
 HN 13 VAL HN 5.7 710.8
 HN 13 VAL QG2 7.5 433.9
 HN 67 ILE HN 6.5 446.5
 HN 67 ILE HB 6.5 216.4
 HA 12 ASN HB2 4.3 3882
 HA 12 ASN HB3 3.9 7145
 HA 12 ASN HD21 6 793
 HA 12 ASN HD22 6.5 375
 HA 13 VAL HN 3.7 9702
 HA 13 VAL HA 5.3 1106
 HA 13 VAL QG1 7.5 427.7
 HA 13 VAL QG2 7.5 208.2
 HB2 12 ASN HD21 3.9 7086
 HB2 12 ASN HD22 4.5 3563
 HB2 13 VAL HN 4.2 4506
 HB3 12 ASN HD21 4.3 4390
 HB3 12 ASN HD22 4.9 2237
 HB3 13 VAL HN 4.2 4583
 HD21 13 VAL HN 4.7 1511
13 VAL HN 13 VAL HA 4.8 1934
 HN 13 VAL HB 4.3 3698
 HN 13 VAL QG1 7.3 1366
 HN 13 VAL QG2 5.8 5390
 HN 14 THR HN 4.9 1752
 HN 66 HIS HD1 6.2 293
 HA 13 VAL HB 4.8 1976
 HA 13 VAL QG1 5.4 8964
 HA 13 VAL QG2 6.3 3374
 HA 14 THR HN 3.3 18390
 HA 14 THR HB 5.1 1467
 HA 67 ILE HN 6.5 81.8
 HA 67 ILE QG1 6.9 379.6
 HB 13 VAL QG1 4.2 42360
 HB 13 VAL QG2 4.9 15600
 HB 14 THR HN 5.5 845.5
 HB 71 HEM QM5 6 5558
 QG1 14 THR HN 5.6 7700
 QG1 65 CYSS HN 7.5 238
 QG1 65 CYSS HA 7.5 1050
 QG1 66 HIS HN 7.5 320
 QG1 66 HIS HA 7.5 489
 QG1 70 HEM HDM 6.9 2668
 QG1 70 HEM QM1 4.9 15170
 QG1 71 HEM HT4A 6.1 4944
 QG1 71 HEM HBM 5.7 7191
 QG1 71 HEM QM5 5.2 10810
 QG2 14 THR HN 7 2540
 QG2 65 CYSS HN 7.5 560
 QG2 65 CYSS HB2 6.4 4018
 QG2 66 HIS HN 7.5 1386
 QG2 66 HIS HA 5.5 8872
 QG2 66 HIS HD1 5.4 9692
 QG2 66 HIS HE1 5.3 10470
 QG2 67 ILE HN 7.5 941.1
 QG2 70 HEM HDM 7.5 601
 QG2 70 HEM QM1 7.2 2131
 QG2 71 HEM HT4A 7.3 2002
 QG2 71 HEM HBM 6.2 4619
 QG2 71 HEM QM5 5.3 10510
14 THR HN 14 THR HA 4.1 5490
 HN 14 THR HB 3.6 11910
 HN 14 THR QG2 5.8 5745
 HN 15 PHE HN 4.7 2216
 HN 15 PHE CZ 8.5 100.5
 HN 66 HIS HA 6.5 128.1
 HN 67 ILE HN 6.5 247
 HN 67 ILE QG2 7.5 427
 HN 67 ILE QD1 7.5 541
 HN 70 HEM QM8 7.5 244.9
 HN 70 HEM HDM 5.9 386
 HA 14 THR HB 4.3 3823
 HA 14 THR QG2 4.8 16780
 HA 15 PHE HN 3.3 18900
 HA 15 PHE CG 8.5 61
 HB 14 THR QG2 4.4 31040
 HB 15 PHE HN 4.8 2044
 HB 67 ILE HN 6.5 94
 QG2 15 PHE HN 5.1 11890
15 PHE HN 15 PHE HB2 4 5946
 HN 15 PHE HB3 4 6459
 HN 15 PHE CG 8.5 531.5
 HN 15 PHE CZ 7.5 88.5
 HN 16 ASP- HN 5.2 1239
 HN 70 HEM HDM 6 349
 HN 70 HEM QM1 7.5 1127
 HB2 15 PHE CG 8 855
 HB2 15 PHE CZ 8.5 488
 HB2 15 PHE HZ 5.7 1032
 HB2 16 ASP- HN 5.1 1332
 HB2 70 HEM QM1 7.4 1863
 HB2 70 HEM QT2 7.5 713
 HB3 15 PHE CG 8.3 664.5
 HB3 15 PHE CZ 8.5 342
 HB3 15 PHE HZ 6.5 547
 HB3 16 ASP- HN 5.1 1375
 HB3 70 HEM QM1 7.5 1233
 CG 15 PHE CZ 10.5 109.8
 CG 15 PHE HZ 8.5 346.5
 CG 16 ASP- HN 7.6 549.5
 CG 69 HEM HT4A 7.4 656
 CG 69 HEM QM5 9.5 220.5
 CG 70 HEM QM1 9.5 328.5
 CG 70 HEM QT2 9.5 338
 CZ 37 ILE HN 8.2 288.5
 CZ 37 ILE HB 8.1 329.5
 CZ 37 ILE HG13 8.2 299
 CZ 38 ALA HA 8.2 295.5
 CZ 39 ILE HB 6.5 1986
 CZ 39 ILE QG2 9.5 1115.5
 CZ 39 ILE HG12 6.8 1297
 CZ 39 ILE HG13 6.9 1269
 CZ 39 ILE QD1 9.5 1208.5
 CZ 69 HEM HT4A 8.5 77.5
 CZ 69 HEM HBM 7.7 472
 CZ 69 HEM QM5 9.5 1634
 CZ 69 HEM HA61 7.2 833.5
 CZ 70 HEM QT2 9.5 1441.5
 HZ 37 ILE HN 6.4 229
 HZ 39 ILE QG2 7.5 603
 HZ 69 HEM HBM 6.5 139
 HZ 69 HEM QM5 7.5 703
16 ASP- HN 17 HIS HN 5.7 731
 HN 70 HEM HDM 5.4 642
 HB2 17 HIS HN 5.7 712.8
 HB2 19 ALA QB 5.6 8115
 HB3 17 HIS HN 5.2 1193
 HB3 19 ALA HN 5.9 442
 HB3 19 ALA QB 4.9 14950
 HB3 20 HIS HN 5.8 497.6
17 HIS HN 17 HIS HA 3.5 13670
 HN 17 HIS HB2 3.7 9456
 HN 17 HIS HB3 3.8 8095
 HN 18 LYS+ HN 4.6 2802
 HN 18 LYS+ HA 6.5 328
 HN 19 ALA HN 5.9 440
 HN 19 ALA QB 6.1 569.1
 HN 20 HIS HN 6.5 261.9
 HA 17 HIS HB2 4.7 2198
 HA 17 HIS HB3 3.3 20320
 HA 18 LYS+ HN 5.7 747.3
 HB2 18 LYS+ HN 4.5 3006
 HB3 18 LYS+ HN 5.3 1176
18 LYS+ HN 18 LYS+ HA 4.1 5550
 HN 18 LYS+ HB2 3.5 13750
 HN 18 LYS+ HB3 3.9 7211
 HN 18 LYS+ HG2 4.8 2605
 HN 18 LYS+ HG3 5 2118
 HN 18 LYS+ HD2 5.1 1828
 HN 18 LYS+ HD3 5.3 1549
 HN 19 ALA HN 3.9 7424
 HN 19 ALA QB 5.5 1449
 HN 21 ALA QB 5.2 1571
 HA 18 LYS+ HB2 3.8 8339
 HA 18 LYS+ HB3 3.5 14630
 HA 18 LYS+ HG2 3 27570
 HA 18 LYS+ HG3 3.8 8628
 HA 18 LYS+ HD3 3.5 11920
 HA 19 ALA HN 4.5 2815
 HA 20 HIS HN 6.2 346.5
 HA 21 ALA QB 3.6 14770
 HA 22 GLU- HN 5 1195
 HB2 18 LYS+ HD3 2.9 33750
 HB2 19 ALA HN 3.8 8847
 HB3 18 LYS+ HG2 2.9 31980
 HB3 18 LYS+ HG3 3.2 19070
 HB3 18 LYS+ HD2 4.1 5632
 HB3 19 ALA HN 4.8 2063
 HG2 18 LYS+ HD2 3.3 18300
 HG2 18 LYS+ HD3 3.6 11190
 HG2 19 ALA HN 4 4282
 HG2 19 ALA HA 4.6 1705
 HG3 18 LYS+ HD2 3.6 11610
 HG3 18 LYS+ HD3 3.9 7309
 HG3 19 ALA HN 4.1 3727
 HD3 19 ALA HN 4 4256
19 ALA HN 19 ALA HA 3.8 9006
 HN 19 ALA QB 3.5 25430
 HN 20 HIS HN 4 5916
 HN 20 HIS HA 6.5 293.4
 HN 20 HIS HD1 5.4 652.9
 HN 21 ALA HN 4.9 1372
 HA 19 ALA QB 3.5 63950
 HA 20 HIS HN 4.4 3558
 HA 20 HIS HA 5.9 607.1
 HA 21 ALA HN 5.3 847.3
 HA 22 GLU- HN 4.4 2622
 HA 22 GLU- HB2 4.2 3383
 HA 22 GLU- HG2 3.7 6167
 HA 22 GLU- HG3 3.9 4587
 HA 22 GLU- QG 5.1 3338
 HA 23 LYS+ HN 5.7 574.9
 QB 20 HIS HN 3.7 17660
 QB 20 HIS HD1 5.9 5745
 QB 21 ALA HN 4.8 2477
 QB 22 GLU- HN 5.8 777.2
20 HIS HN 20 HIS HA 3.9 6891
 HN 20 HIS QB 4.8 4454
 HN 20 HIS HD1 3.7 9363
 HN 21 ALA HN 3.6 10900
 HN 21 ALA HA 6.5 288
 HN 21 ALA QB 5.2 2184
 HN 22 GLU- HN 5 1241
 HN 69 HEM HAM 6.5 56.2
 HA 20 HIS QB 5.2 4769.5
 HA 20 HIS HD1 5.7 1092
 HA 21 ALA HN 5 1561
 HA 23 LYS+ HN 4.9 1409
 HA 23 LYS+ HB2 4.1 4494
 HA 23 LYS+ HB3 5.1 1153
 HA 23 LYS+ HG3 4.4 2446
 HA 24 LEU HN 5.5 719.9
 HA 24 LEU QD1 6.5 3658
 HB3 21 ALA HN 3.8 7925
 QB 20 HIS HD1 6.3 1514.5
 QB 21 ALA HN 5.6 2595.5
 QB 22 GLU- HN 7.1 361.5
 HD1 21 ALA HN 5.1 909.7
 HD1 21 ALA QB 7.5 144.5
 HD1 69 HEM QT4 7.5 929.4
21 ALA HN 21 ALA HA 4 5847
 HN 21 ALA QB 3.5 36780
 HN 22 GLU- HN 3.9 7578
 HN 22 GLU- HG2 4.3 2792
 HN 22 GLU- QG 5.9 1166.5
 HN 23 LYS+ HN 5.2 1046
 HN 24 LEU HN 6.2 339
 HN 25 GLY HN 5.5 707
 HN 69 HEM HAM 5.1 934.5
 HN 69 HEM QM3 6.4 3831
 HN 69 HEM QT4 7.5 485
 HA 21 ALA QB 3.5 24520
 HA 23 LYS+ HN 6.5 129.3
 HA 24 LEU HN 4.4 2615
 HA 24 LEU QD1 7.5 1053
 HA 25 GLY HN 3.9 5715
 HA 26 CYSS HN 5.5 1176
 HA 69 HEM HT2A 4.1 3570
 HA 69 HEM HAM 3.4 10260
 HA 69 HEM QM3 4.7 18510
 QB 22 GLU- HN 3.9 11880
 QB 23 LYS+ HN 5.9 731.1
 QB 24 LEU HN 6.9 272.8
 QB 25 GLY HN 5.3 1344
 QB 25 GLY HA2 5.4 1282
 QB 26 CYSS HN 6.4 3886
 QB 26 CYSS HA 7.5 1038
 QB 69 HEM QM1 6.5 3599
 QB 69 HEM HT2A 4.6 20600
 QB 69 HEM QT2 4 44760
 QB 69 HEM HAM 4.6 20360
 QB 69 HEM QM3 5.3 10140
22 GLU- HN 22 GLU- HA 3.8 8932
 HN 22 GLU- HB2 3.9 6918
 HN 22 GLU- HB3 4.5 2970
 HN 22 GLU- HG2 3.6 10830
 HN 22 GLU- HG3 3.6 11580
 HN 22 GLU- QG 4.6 10740
 HN 23 LYS+ HN 4 6363
 HN 23 LYS+ HA 6.5 127.8
 HN 24 LEU HN 5.2 1024
 HN 25 GLY HN 4.4 2575
 HA 22 GLU- HB2 3.9 7221
 HA 22 GLU- HB3 3.6 12210
 HA 22 GLU- HG2 4.2 5248
 HA 22 GLU- HG3 3.7 9642
 HA 22 GLU- QG 5 3845
 HA 23 LYS+ HN 4.8 1937
 HB2 22 GLU- HG2 3.2 19130
 HB2 22 GLU- QG 5.1 5930
 HB2 23 LYS+ HN 6 501.6
 HB2 23 LYS+ HG2 3.7 7084
 HB3 22 GLU- HG2 3.1 25260
 HB3 22 GLU- QG 4.6 10795
 HB3 23 LYS+ HN 5.1 1392
 HB3 23 LYS+ HG2 5.8 411
 HG2 23 LYS+ HN 3.6 8203
 HG3 23 LYS+ HN 3.3 12780
23 LYS+ HN 23 LYS+ HA 3.9 6694
 HN 23 LYS+ HB2 3.6 12690
 HN 23 LYS+ HB3 3.4 17070
 HN 23 LYS+ HG2 4.1 5966
 HN 23 LYS+ HG3 4.3 4248
 HN 23 LYS+ HD2 3.7 8915
 HN 23 LYS+ HD3 4.5 3339
 HN 23 LYS+ QE 7.3 656
 HN 24 LEU HN 3.8 7992
 HN 24 LEU HA 5.5 848
 HN 24 LEU QB 7.5 307
 HN 24 LEU QD1 7.5 497.4
 HN 25 GLY HN 5.2 990
 HA 23 LYS+ HB2 3.5 14220
 HA 23 LYS+ HB3 3.6 10920
 HA 23 LYS+ HG2 4.2 4722
 HA 23 LYS+ HG3 3.3 17310
 HA 23 LYS+ HD2 3.5 12630
 HA 23 LYS+ HD3 4.1 5964
 HA 23 LYS+ QE 7.5 369
 HA 24 LEU HN 4.2 4906
 HB2 23 LYS+ HG2 5.2 1625
 HB2 23 LYS+ HG3 3.5 11750
 HB2 23 LYS+ HD2 2.9 30130
 HB2 23 LYS+ QE 6 2139.5
 HB3 23 LYS+ HG3 3 27150
 HB3 23 LYS+ QE 6.5 1306
 HB3 24 LEU HN 3.7 10220
 HG2 23 LYS+ HD2 5.2 1729
 HG2 23 LYS+ HD3 5.1 1807
 HG2 23 LYS+ QE 6.4 1428.5
 HG3 24 LEU HN 4.4 2439
 HG3 70 HEM QM5 7.4 1898
 HD2 23 LYS+ QE 4.7 9995
 HD2 24 LEU HN 4.7 1561
 HD3 23 LYS+ QE 4.8 8815
24 LEU HN 24 LEU HA 3.9 7404
 HN 24 LEU QB 4.2 11010
 HN 24 LEU HG 3.7 8873
 HN 24 LEU QD1 5.9 5321
 HN 24 LEU QD2 5.1 12800
 HN 25 GLY HN 3.5 14960
 HN 25 GLY HA2 5 1685
 HN 26 CYSS HN 6.5 237
 HN 69 HEM QM3 7.5 834.9
 HN 70 HEM QT4 7.5 300
 HA 24 LEU QB 5.7 2280.5
 HA 24 LEU HG 4 6288
 HA 24 LEU QD1 6.6 2500
 HA 24 LEU QD2 4.5 26830
 HA 25 GLY HN 4.4 3351
 HA 28 ALA QB 5.2 1614
 QB 24 LEU HG 4.7 10090
 QB 24 LEU QD1 6.6 6875
 QB 24 LEU QD2 6.6 7250
 QB 25 GLY HN 5.5 2829
 QB 25 GLY HA2 6.6 770
 QB 69 HEM QM3 8 2516
 QB 70 HEM HT4A 6.5 618
 QB 70 HEM QT4 8.5 385.8
 HG 24 LEU QD1 5.1 11750
 HG 24 LEU QD2 5.4 8728
 HG 69 HEM QM3 5.8 6275
 QD1 25 GLY HN 7.5 1080
 QD1 28 ALA QB 5.8 17170
 QD1 29 CYSS HN 7.4 1945
 QD1 69 HEM HAM 7.5 1322
 QD1 69 HEM QM3 5.1 12550
 QD1 69 HEM QT4 5.6 7639
 QD1 70 HEM QM3 7.4 1970
 QD1 70 HEM HT4A 4.6 21090
 QD1 70 HEM QT4 4.6 21460
 QD1 70 HEM HBM 5.1 12420
 QD1 70 HEM QM5 5.8 6722
 QD2 69 HEM QM3 6.9 2635
 QD2 70 HEM HT4A 5 14060
 QD2 70 HEM QT4 5.3 10210
 QD2 70 HEM HBM 5.5 8331
 QD2 70 HEM QM5 5.1 12060
25 GLY HN 25 GLY HA1 3.7 9140
 HN 25 GLY HA2 3.6 12530
 HN 26 CYSS HN 5.4 980
 HN 26 CYSS HA 5.7 745
 HN 27 ASP- HN 5.1 1063
 HN 69 HEM QM3 7.5 1200
 HA1 26 CYSS HN 5.4 958
 HA1 27 ASP- HN 4.9 1411
 HA1 28 ALA HN 5.8 517
 HA2 26 CYSS HN 3.4 17470
 HA2 27 ASP- HN 4.9 1485
 HA2 28 ALA HN 5.2 1046
 HA2 69 HEM HT2A 6.4 240.3
26 CYSS HN 26 CYSS HA 3.5 12760
 HN 26 CYSS HB2 5.4 958
 HN 26 CYSS HB3 4.7 2241
 HN 27 ASP- HN 3.6 11540
 HN 28 ALA HN 5.5 687
 HN 28 ALA QB 4.8 2381
 HN 69 HEM QT2 6.1 5183
 HN 69 HEM QM3 7.4 1868
 HA 26 CYSS HB2 4.2 4793
 HA 26 CYSS HB3 4 6360
 HA 27 ASP- HN 4.5 2859
 HA 28 ALA HN 5.1 1148
 HA 28 ALA QB 6.1 572.3
 HA 29 CYSS HN 5.9 453
 HA 29 CYSS HB3 6.5 186
 HA 30 HIS HN 6.5 195
 HA 69 HEM QT2 6.7 3141
 HA 69 HEM QM3 4.9 15970
 HB3 27 ASP- HN 5.3 1178
27 ASP- HN 27 ASP- HA 3.8 8850
 HN 27 ASP- HB2 3.5 14610
 HN 27 ASP- HB3 3.6 11160
 HN 28 ALA HN 3.6 10850
 HN 28 ALA HA 5.2 1254
 HN 28 ALA QB 4.9 2972
 HN 29 CYSS HN 5.6 608.6
 HA 27 ASP- HB2 3.4 16010
 HA 27 ASP- HB3 3.9 6823
 HA 28 ALA HN 4.8 1986
 HA 29 CYSS HN 5.2 988
 HA 30 HIS HN 4.5 2402
 HA 30 HIS HB2 5.6 661
 HA 31 GLU- HA 3.5 10330
 HB2 28 ALA HN 4.7 2230
 HB2 29 CYSS HN 6.5 150
 HB3 28 ALA HN 5.1 1481
 HB3 29 CYSS HN 6.5 185
 HB3 31 GLU- HG3 3.9 4874
28 ALA HN 28 ALA HA 3.6 10900
 HN 28 ALA QB 3.5 27660
 HN 29 CYSS HN 4.1 5311
 HN 30 HIS HN 4.3 3125
 HN 69 HEM QM3 7.5 1793
 HN 70 HEM QT4 7.5 740.4
 HA 28 ALA QB 3.5 33210
 HA 29 CYSS HN 4.9 1879
 HA 30 HIS HN 5.9 450
 HA 70 HEM QT4 7.5 371.3
 QB 29 CYSS HN 4.4 6263
 QB 29 CYSS HA 6.5 539
 QB 30 HIS HN 5.6 962.5
 QB 69 HEM QM3 4.9 14570
 QB 70 HEM HT4A 7.5 1705
 QB 70 HEM QT4 4.7 19700
29 CYSS HN 29 CYSS HA 4.4 3392
 HN 29 CYSS HB2 5.4 1043
 HN 29 CYSS HB3 4.3 4105
 HN 30 HIS HN 3.8 8846
 HN 30 HIS HA 6.3 380
 HN 31 GLU- HN 6.5 153
 HN 37 ILE QD1 7.5 570
 HN 69 HEM HAM 6.5 113
 HN 69 HEM QM3 7.3 2063
 HN 69 HEM HT4A 6.1 309
 HN 70 HEM QT4 7.5 463
 HA 29 CYSS HB2 4 6333
 HA 29 CYSS HB3 3.9 7425
 HA 30 HIS HN 5 1577
 HA 37 ILE QD1 7.5 468.2
 HA 69 HEM HT4A 6.5 176.7
 HB2 30 HIS HN 4.5 3134
 HB2 37 ILE QD1 6.6 3471
 HB2 69 HEM HT4A 4.3 2650
 HB2 69 HEM HBM 4.4 2324
 HB3 30 HIS HN 4.8 1915
 HB3 37 ILE QD1 6.3 4279
 HB3 69 HEM HT4A 4.3 2781
 HB3 69 HEM HBM 4.5 1999
30 HIS HN 30 HIS HA 4.6 2758
 HN 30 HIS HB2 4.4 3316
 HN 30 HIS HB3 4.9 1687
 HN 30 HIS HD1 6.5 492
 HN 31 GLU- HN 5.2 1308
 HN 31 GLU- HB3 6.5 103
 HN 37 ILE QD1 7.5 870
 HN 69 HEM HAM 6.5 89
 HN 69 HEM QM3 7.5 644
 HA 30 HIS HB2 3.6 11380
 HA 30 HIS HB3 3.6 11570
 HA 30 HIS HD1 3.7 9514
 HA 31 GLU- HN 3.1 28550
 HA 31 GLU- HA 4.6 2549
 HA 31 GLU- HB2 5.8 627
 HA 31 GLU- HB3 5.9 558
 HA 32 GLY HN 5.8 501.8
 HA 34 PRO HA 5.5 702
 HA 34 PRO HG2 6.3 264
 HA 37 ILE QD1 5.8 6704
 HB2 30 HIS HD1 4.5 3625
 HB2 31 GLU- HN 5.4 959
 HB2 31 GLU- HA 6.5 209
 HB2 34 PRO HA 6.5 126
 HB2 34 PRO HG2 5.5 590.5
 HB2 34 PRO HG3 4.7 1478
 HB2 37 ILE QD1 7.5 1246
 HB3 30 HIS HD1 4.2 5111
 HB3 31 GLU- HN 4.6 2699
 HB3 34 PRO HA 4.7 1818
 HB3 34 PRO HB3 3.6 8296
 HD1 31 GLU- HN 4.9 1211
 HD1 34 PRO HA 4 4102
 HD1 34 PRO HB2 4.3 2700
 HD1 34 PRO HB3 3.9 4522
 HD1 34 PRO HG2 4.6 1737
 HD1 34 PRO HG3 5.9 376
 HD1 36 LYS+ HN 5.9 391
 HD1 37 ILE QG2 6.9 2680
 HD1 37 ILE HG12 4.3 2755
 HD1 37 ILE HG13 4.8 1324
 HD1 37 ILE QD1 5.9 5836
31 GLU- HN 31 GLU- HA 3.9 7420
 HN 31 GLU- HB2 4.5 3093
 HN 31 GLU- HB3 4.8 2102
 HN 31 GLU- HG2 3.8 8298
 HN 31 GLU- HG3 3.7 10010
 HN 32 GLY HN 4.7 2312
 HN 32 GLY HA1 6.5 192.3
 HN 33 THR HN 6.5 207
 HN 37 ILE QD1 7.5 1329
 HA 31 GLU- HB2 4.1 5545
 HA 31 GLU- HB3 4.3 4059
 HA 31 GLU- HG2 3.6 10380
 HA 31 GLU- HG3 3.7 9937
 HA 32 GLY HN 3.6 11990
 HB2 31 GLU- HG2 3.4 13730
 HB2 31 GLU- HG3 3.8 7921
 HB2 32 GLY HN 4.8 2151
 HB3 32 GLY HN 4.7 2293
 HG2 32 GLY HN 4.1 3664
 HG3 32 GLY HN 4.2 2974
32 GLY HN 32 GLY HA1 3.6 11430
 HN 32 GLY HA2 3.4 15990
 HN 33 THR HN 4 6287
 HA1 33 THR HN 3.6 10730
 HA2 33 THR HN 3.5 13370
33 THR HN 33 THR HA 4.7 2356
 HN 33 THR HB 3.9 7271
 HN 33 THR QG2 6 4792
 HN 34 PRO HD2 5.8 441
 HA 33 THR QG2 5.4 8960
 HB 33 THR QG2 4.4 31720
34 PRO HA 34 PRO HB2 3.9 6935
 HA 34 PRO HB3 3.5 13410
 HA 34 PRO HG2 5.4 1454
 HA 34 PRO HG3 6.5 457.9
 HA 34 PRO HD2 4.5 3634
 HA 35 ALA HN 6.5 29
 HA 35 ALA QB 7.5 83
 HA 36 LYS+ HN 6.4 283
 HA 69 HEM QM8 7.5 576.5
 HA 69 HEM HDM 5.4 665.7
 HB2 34 PRO HG2 5.1 1814
 HB2 34 PRO HG3 5.4 1399
 HB2 36 LYS+ HN 3.2 18810
 HB3 34 PRO HG2 4.1 5458
 HB3 34 PRO HG3 5.5 1262
 HG2 34 PRO HD2 5.7 1077
 HG2 35 ALA HN 6.5 178
 HG2 35 ALA QB 6.7 3054
 HG2 36 LYS+ HN 6.5 194
 HG2 69 HEM QM8 7 2458
 HG2 69 HEM HDM 3.8 5457
 HG2 69 HEM QM1 7.1 2428
 HG3 34 PRO HD2 6 856.9
 HG3 35 ALA HN 6 338
 HG3 35 ALA QB 7.5 1680
 HG3 69 HEM QM8 7.5 1747
 HG3 69 HEM HDM 5.3 744
 HG3 69 HEM QM1 7.2 2184
35 ALA HN 35 ALA QB 5.2 2215
36 LYS+ HN 36 LYS+ HA 4.5 3019
 HN 36 LYS+ HB2 3.9 6828
 HN 36 LYS+ HB3 4.8 2025
 HN 36 LYS+ HG2 4.4 3830
 HN 36 LYS+ HG3 3.6 10830
 HN 36 LYS+ QD 6.3 1589.5
 HN 36 LYS+ HE2 5.9 906
 HN 36 LYS+ HE3 6.5 202
 HN 37 ILE HN 5.5 925
 HN 37 ILE QD1 7.5 197
 HN 69 HEM QM8 7.5 1300
 HN 69 HEM HGM 4.3 2493
 HA 36 LYS+ HB2 4.2 4402
 HA 36 LYS+ HB3 4.2 4601
 HA 36 LYS+ HG2 4.5 3705
 HA 36 LYS+ HG3 4.1 5857
 HA 36 LYS+ QD 6.8 972.5
 HA 36 LYS+ HE2 5.6 1183
 HA 36 LYS+ HE3 6.5 466
 HA 37 ILE HG12 4.8 1437
 HA 37 ILE HG13 5.4 693
 HB2 36 LYS+ HG2 3.2 21380
 HB2 36 LYS+ HG3 3.1 22700
 HB2 37 ILE HN 5.1 1380
 HB3 36 LYS+ HG2 2.8 40460
 HB3 37 ILE HN 5 1563
 HG2 36 LYS+ QD 5.1 5965
 HG2 37 ILE HN 4.9 1160
 HG3 37 ILE HN 5 1034
 QD 37 ILE HN 7 345
 QD 38 ALA HN 7.5 138
 HE2 37 ILE HN 5.3 774
 HE3 37 ILE HN 5.2 814
37 ILE HN 37 ILE HA 4.4 3498
 HN 37 ILE HB 3.8 9001
 HN 37 ILE QG2 6.7 2364
 HN 37 ILE HG12 4.4 3962
 HN 37 ILE HG13 4.8 2520
 HN 37 ILE QD1 6.8 2094
 HN 38 ALA HN 5.7 756.3
 HN 69 HEM QM5 7.1 2346
 HN 69 HEM HGM 3.8 6001
 HN 69 HEM HA61 4 4389
 HN 69 HEM HA62 3.5 8615
 HA 37 ILE HB 4.1 5373
 HA 37 ILE QG2 5.4 9070
 HA 37 ILE HG13 3.9 7663
 HA 37 ILE QD1 6.7 2350
 HA 38 ALA HN 3.4 42200
 HA 38 ALA HA 5.5 875.8
 HB 37 ILE QG2 5.3 10310
 HB 37 ILE HG12 3.7 9563
 HB 37 ILE HG13 3 27060
 HB 37 ILE QD1 5.3 9956
 HB 38 ALA HN 5.2 1267
 HB 69 HEM QM5 5.9 5943
 QG2 37 ILE HG12 4 50240
 QG2 37 ILE HG13 4.8 17230
 QG2 37 ILE QD1 5.8 16840
 QG2 38 ALA HN 6.7 3128
 QG2 38 ALA HA 7.5 566
 QG2 39 ILE QD1 8.5 193
 QG2 69 HEM HBM 7.5 455.8
 QG2 69 HEM QM5 7.5 944
 HG12 37 ILE QD1 4.8 18450
 HG12 38 ALA HN 4.6 1669
 HG12 69 HEM QM5 7.5 890
 HG13 37 ILE QD1 4.4 30590
 HG13 38 ALA HN 3.2 16440
 HG13 39 ILE HG12 4.3 2823
 HG13 39 ILE HG13 4.3 2496
 HG13 69 HEM QM5 5.6 7673
 QD1 38 ALA HN 7.4 1909
 QD1 39 ILE HN 7.5 242
 QD1 39 ILE QD1 6.7 7207
 QD1 69 HEM HT4A 6.7 3203
 QD1 69 HEM HBM 6.1 5087
 QD1 69 HEM QM5 5.7 7167
38 ALA HN 38 ALA HA 3.6 10910
 HN 38 ALA QB 3.5 48380
 HN 39 ILE HN 4.4 3545
 HN 39 ILE HB 6.1 465
 HN 39 ILE QG2 7.5 468
 HN 39 ILE QD1 7.5 432
 HN 69 HEM HBM 6.5 131
 HN 69 HEM QM5 7.5 389
 HN 69 HEM HGM 6.5 135
 HA 38 ALA QB 3.5 36280
 QB 40 ASP- HN 5.7 878
39 ILE HN 39 ILE HA 3.1 26800
 HN 39 ILE HB 3.4 15210
 HN 39 ILE QG2 6.1 4058
 HN 39 ILE HG12 4 6545
 HN 39 ILE HG13 4.6 3294
 HN 39 ILE QD1 6.2 3845
 HN 40 ASP- HN 5.1 1359
 HN 69 HEM HBM 6.5 87
 HN 69 HEM QM5 7.5 358.3
 HA 39 ILE HB 4 6376
 HA 39 ILE QG2 5 14290
 HA 39 ILE HG12 4.3 4350
 HA 39 ILE HG13 4.8 2452
 HA 39 ILE QD1 4.6 22220
 HA 40 ASP- HN 3.3 21360
 HA 43 SER HN 4.9 1499
 HA 43 SER HB3 4.7 1904
 HA 48 ALA QB 7.5 1131
 HA 69 HEM QM5 7.5 472.8
 HA 70 HEM QT2 7.5 657.8
 HB 39 ILE QG2 4.5 27830
 HB 39 ILE HG12 3.3 16960
 HB 39 ILE HG13 3.1 23780
 HB 39 ILE QD1 5.4 8786
 HB 40 ASP- HN 5.1 1444
 HB 69 HEM QM5 7.5 1110
 HB 71 HEM QM5 7.5 1046
 QG2 39 ILE HG12 5.1 11750
 QG2 39 ILE HG13 5 14570
 QG2 39 ILE QD1 5.1 48890
 QG2 40 ASP- HN 6 5646
 QG2 40 ASP- HA 7.5 1730
 QG2 44 ALA HN 6.4 4109
 QG2 44 ALA HA 6.3 4213
 QG2 44 ALA QB 6.3 9862
 QG2 48 ALA QB 7.5 3616
 QG2 69 HEM QM5 6.9 2682
 QG2 70 HEM QM1 7.5 55.8
 QG2 70 HEM QT2 5.4 8982
 QG2 71 HEM QM5 4.8 16940
 QG2 71 HEM HA61 5.3 10470
 QG2 71 HEM HA62 7.2 2201
 QG2 71 HEM QBP6 7.5 424.2
 HG12 39 ILE QD1 5 13120
 HG12 40 ASP- HN 5.1 915
 HG12 69 HEM QM5 6.6 3388
 HG12 70 HEM QT2 5.8 6342
 HG13 39 ILE QD1 4.9 16670
 HG13 40 ASP- HN 5.4 637
 HG13 70 HEM QT2 5.5 8233
 QD1 40 ASP- HN 6 5408
 QD1 44 ALA HN 7.1 2301
 QD1 48 ALA HA 7.5 673.8
 QD1 48 ALA QB 4.5 91270
 QD1 69 HEM QM5 5.5 8809
 QD1 70 HEM HT2A 7.4 1929
40 ASP- HN 40 ASP- HA 4.6 2764
 HN 40 ASP- HB3 5.6 795
 HN 41 LYS+ HN 4.9 1844
 HN 43 SER HA 5.7 544
 HN 43 SER HB2 5.6 635
 HN 44 ALA HN 4.2 3613
 HN 44 ALA QB 4.7 2868
 HN 71 HEM QM5 7.5 327.3
 HA 40 ASP- HB2 3.7 10080
 HA 40 ASP- HB3 3.5 14510
 HA 41 LYS+ HN 3.4 15200
 HA 42 LYS+ HN 6.5 204
 HA 71 HEM HA61 5.1 950.4
 HB2 41 LYS+ HN 3.5 14450
 HB2 42 LYS+ HN 5.8 501
 HB3 41 LYS+ HN 3.4 15580
41 LYS+ HN 41 LYS+ HA 4 6077
 HN 41 LYS+ HB2 3.4 15130
 HN 41 LYS+ HB3 3.5 14680
 HN 41 LYS+ HG2 6.5 291
 HN 41 LYS+ HG3 6.5 382
 HN 41 LYS+ HD2 6.2 701
 HN 41 LYS+ HD3 6.1 748
 HN 41 LYS+ QE 7.4 604.5
 HN 42 LYS+ HN 4.1 5518
 HN 44 ALA QB 5.3 1422
 HA 41 LYS+ HG3 6.5 258
 HA 41 LYS+ HD2 4.8 2472
 HA 41 LYS+ HD3 5.4 1375
 HA 42 LYS+ HN 5.6 818
 HB2 41 LYS+ HG2 6.5 372
 HB2 41 LYS+ HG3 6.3 665
 HB2 41 LYS+ HD2 6.5 559
 HB2 41 LYS+ HD3 6 841
 HB2 42 LYS+ HN 3.9 7390
 HB2 71 HEM QAP7 5.8 453.1
 HB2 71 HEM HGM 4.2 3023
 HB3 41 LYS+ HG2 4.9 2297
 HB3 41 LYS+ HG3 5.1 1824
 HB3 42 LYS+ HN 3.6 12600
 HG2 41 LYS+ QE 7.5 507.5
 HG3 41 LYS+ HD2 6.2 671
 HG3 41 LYS+ QE 7.4 596.5
 HD2 42 LYS+ HN 6.2 297
 HD3 41 LYS+ QE 7.5 203
42 LYS+ HN 42 LYS+ HA 3.7 10150
 HN 42 LYS+ HG2 4.7 2682
 HN 42 LYS+ HG3 3.8 8679
 HN 43 SER HN 3.7 9215
 HN 44 ALA HN 4.9 1446
 HN 44 ALA QB 6.4 429.7
 HN 45 HIS HN 6.5 87
 HA 42 LYS+ HB3 4.8 1983
 HA 42 LYS+ HG2 3.8 7874
 HA 42 LYS+ HG3 4 6276
 HA 42 LYS+ QE 7.5 335.3
 HA 43 SER HN 4.4 3230
 HA 45 HIS HN 4.6 2137
 HB2 42 LYS+ HG3 3 26070
 HB3 42 LYS+ HG2 2.5 63720
 HB3 42 LYS+ HG3 2.8 42460
 HB3 43 SER HN 4.6 2555
 HG2 42 LYS+ QE 5.3 4266
 HG2 43 SER HN 4.7 1614
 HG3 42 LYS+ QE 5.5 3669.5
 HG3 43 SER HN 5 1036
 HG3 45 HIS HN 6.5 207
43 SER HN 43 SER HA 3.1 31620
 HN 43 SER HB2 3.6 11890
 HN 43 SER HB3 3.4 17420
 HN 44 ALA HN 3.5 14590
 HN 44 ALA HA 5.9 557.2
 HN 44 ALA QB 5.8 1054
 HN 45 HIS HN 5.6 645
 HA 43 SER HB2 4.2 4712
 HA 43 SER HB3 3.1 26350
 HA 44 ALA HN 3.8 8241
 HA 45 HIS HN 6.5 156
 HA 46 LYS+ HN 4.3 2968
 HB2 44 ALA HN 4.7 2204
 HB2 44 ALA QB 7.5 765.8
 HB2 45 HIS HN 5.9 457.2
 HB3 44 ALA HN 4.1 5163
 HB3 44 ALA QB 6.1 5114
 HB3 45 HIS HN 5.3 838.7
 HB3 48 ALA QB 5.6 8072
44 ALA HN 44 ALA HA 3.8 7844
 HN 44 ALA QB 3.6 21400
 HN 45 HIS HN 4.3 4126
 HN 45 HIS HB3 6.5 324
 HN 46 LYS+ HN 5.6 652.4
 HN 48 ALA QB 4.2 5829
 HA 44 ALA QB 3.5 30260
 HA 45 HIS HN 4.9 1727
 HA 48 ALA HN 4.1 4492
 HA 48 ALA QB 3.6 13990
 HA 49 CYSS HN 4.2 4324
 HA 49 CYSS HB3 4.4 2280
 HA 50 LYS+ HN 5.4 1284
 QB 45 HIS HN 4.1 8383
 QB 45 HIS HA 5.2 2211
 QB 46 LYS+ HN 5 1851
 QB 49 CYSS HN 7.5 862
 QB 49 CYSS HB2 7.5 1600
 QB 49 CYSS HB3 7.5 842
 QB 71 HEM HBM 5.5 8175
 QB 71 HEM QM5 4.4 25300
45 HIS HN 45 HIS HA 4.6 2512
 HN 45 HIS HB2 4.6 2690
 HN 45 HIS HB3 4.5 3112
 HN 46 LYS+ HN 4.2 4881
 HN 71 HEM QM5 7.5 1643
 HA 45 HIS HB2 3.7 9161
 HA 45 HIS HB3 3.3 20180
 HA 46 LYS+ HN 5 1557
 HA 49 CYSS HB3 5.8 521
 HA 50 LYS+ HN 6.1 695
 HB2 46 LYS+ HN 4.6 2474
 HB3 46 LYS+ HN 5.6 812
46 LYS+ HN 46 LYS+ HA 4 6204
 HN 46 LYS+ QB 5.1 3041
 HN 46 LYS+ QG 5.7 2825
 HN 46 LYS+ QD 5.5 3556
 HN 47 ASP- HN 4.6 2723
 HN 47 ASP- HB2 6.5 78
 HN 48 ALA HN 4.5 2340
 HN 48 ALA HA 6.5 140
 HN 49 CYSS HN 5.4 783.6
 HA 46 LYS+ QB 4.5 12950
 HA 46 LYS+ QG 4.2 11065
 HA 46 LYS+ QD 4.2 20140
 HA 47 ASP- HN 4 6177
 QB 46 LYS+ QG 5.4 13602.5
 QB 46 LYS+ QD 5.8 8225
 QB 47 ASP- HN 4.5 14735
 QB 48 ALA HN 5.9 1372
 QG 46 LYS+ QD 5.1 22302.5
 QG 47 ASP- HN 4.3 14155
 QG 47 ASP- HA 7.1 306
 QD 46 LYS+ QE 5.5 11842.5
 QD 47 ASP- HN 4.6 7860
 QD 47 ASP- HB3 4.3 13385
 QD 48 ALA HN 5.7 1518
47 ASP- HN 47 ASP- HA 3.7 10130
 HN 47 ASP- HB2 3.9 7328
 HN 47 ASP- HB3 3.7 10470
 HN 48 ALA HN 3.7 10400
 HN 48 ALA QB 5 2776
 HN 49 CYSS HN 5.1 1139
 HA 47 ASP- HB2 3.5 13430
 HA 47 ASP- HB3 3.7 9817
 HA 48 ALA HN 4.3 3859
 HA 49 CYSS HN 5.9 468.5
 HA 51 THR QG2 5.4 8922
 HB2 48 ALA HN 4.6 2705
 HB2 48 ALA QB 6.7 3114
 HB3 48 ALA HN 4.6 2511
48 ALA HN 48 ALA HA 3.6 11530
 HN 48 ALA QB 3.5 27690
 HN 49 CYSS HN 3.6 11120
 HN 49 CYSS HA 6.5 251
 HN 50 LYS+ HN 5.3 878.2
 HA 48 ALA QB 3.5 34600
 HA 49 CYSS HN 4.5 3179
 HA 70 HEM HAM 5.9 373
 QB 49 CYSS HN 4.3 6287
 QB 49 CYSS HB3 7.5 960.8
 QB 50 LYS+ HN 7.3 201.7
 QB 69 HEM QM5 7.5 1768
 QB 70 HEM HT2A 6.6 3401
49 CYSS HN 49 CYSS HA 4.7 2372
 HN 49 CYSS HB2 4.6 2473
 HN 49 CYSS HB3 4.9 1784
 HN 50 LYS+ HN 4.1 5075
 HN 51 THR HN 4.7 1906
 HN 70 HEM HT2A 4.7 1564
 HN 70 HEM HAM 4.4 2253
 HA 49 CYSS HB2 4.5 3177
 HA 49 CYSS HB3 4.1 5109
 HA 50 LYS+ HN 5.6 775.8
 HA 51 THR HN 6.5 177
 HA 52 CYSS HN 6.5 157
 HA 70 HEM QM1 7.5 112.5
 HA 70 HEM HT2A 3.5 9119
 HA 70 HEM QT2 7.3 1993
 HA 70 HEM HAM 3.5 8645
 HA 70 HEM QM3 5.4 9435
 HA 71 HEM QT4 7.5 1293
 HB2 50 LYS+ HN 3.8 8243
 HB2 70 HEM QM1 7.5 336.7
 HB2 70 HEM HAM 4.9 1200
 HB2 71 HEM QT4 5 14050
 HB3 50 LYS+ HN 3.9 6796
 HB3 70 HEM HDM 6.1 316
 HB3 70 HEM QM1 7.5 458.7
 HB3 70 HEM HT2A 3.8 5230
 HB3 70 HEM HAM 4.8 1335
 HB3 71 HEM QT4 4.5 23310
 HB3 71 HEM HBM 4.2 2932
50 LYS+ HN 50 LYS+ HA 4.5 3214
 HN 50 LYS+ QG 6 2077
 HN 51 THR HN 4.5 2982
 HN 70 HEM HT2A 6.1 314
 HN 70 HEM HAM 6.5 211
 HN 71 HEM QT4 4.7 18850
 HA 50 LYS+ QG 4.6 6060
 HA 50 LYS+ QD 6 1976
 HA 51 THR HN 5.1 1460
 HA 51 THR HB 5.9 560
 HA 52 CYSS HN 6.3 322
 HA 53 HIS HN 5.2 1001
 HA 53 HIS HD1 5 1109
 HA 71 HEM QM3 7.5 629
 HA 71 HEM QT4 4.3 29820
 QG 71 HEM QM3 8.5 1699.5
 QD 71 HEM HAM 7.5 44.5
 QD 71 HEM QM3 8.5 1008.5
51 THR HN 51 THR HA 3.5 14430
 HN 51 THR HB 3.7 9706
 HN 51 THR QG2 5 13430
 HN 52 CYSS HN 4.3 4101
 HN 52 CYSS HA 6.1 475.8
 HN 52 CYSS HB2 5.6 803
 HN 53 HIS HN 5.7 539
 HN 54 LYS+ HN 5.7 549
 HN 54 LYS+ HD3 4.9 1173
 HN 70 HEM HAM 6.5 63
 HA 51 THR HB 4.1 5330
 HA 51 THR QG2 4.4 28710
 HA 52 CYSS HN 4.1 5363
 HA 52 CYSS HB3 6.5 268
 HB 51 THR QG2 4.4 30610
 HB 52 CYSS HN 4.8 2161
 HB 52 CYSS HB3 6.5 67.2
 HB 53 HIS HN 6.3 297
 QG2 52 CYSS HN 6.4 4047
 QG2 52 CYSS HA 6.6 3423
 QG2 52 CYSS HB2 7.3 2110
 QG2 54 LYS+ HN 7.5 932
52 CYSS HN 52 CYSS HA 4 5961
 HN 52 CYSS HB2 3.7 9918
 HN 52 CYSS HB3 3.8 8265
 HN 53 HIS HN 4.3 3890
 HN 70 HEM HAM 6.5 207
 HN 70 HEM QM3 7 2540
 HN 70 HEM HT4A 5.6 557
 HN 70 HEM QT4 7 2445
 HA 52 CYSS HB2 3.9 7136
 HA 52 CYSS HB3 4.1 5392
 HA 53 HIS HN 5.6 834.1
 HA 70 HEM QT4 7.3 1988
 HB2 70 HEM HAM 5.6 557
 HB2 70 HEM QM3 5.9 5978
 HB2 70 HEM HT4A 5.4 678.8
 HB2 70 HEM QT4 5.6 7701
 HB3 53 HIS HN 4.5 3194
 HB3 53 HIS HD1 6.5 57.9
 HB3 70 HEM HAM 5.3 764
 HB3 70 HEM QM3 6.2 4747
 HB3 70 HEM QT4 5.5 8665
53 HIS HN 53 HIS HA 5 1621
 HN 53 HIS QB 5.6 1598
 HN 53 HIS HD1 5.6 1174
 HN 53 HIS HE1 6.3 635.9
 HN 54 LYS+ HN 4.9 1745
 HN 54 LYS+ HB3 6.2 439.3
 HN 54 LYS+ HG3 5.1 983
 HN 70 HEM QT4 7.5 468
 HA 53 HIS QB 5.9 1831
 HA 54 LYS+ HN 4.8 2157
 QB 53 HIS HD1 5.9 2185
 HD1 53 HIS HE1 5.6 1209
 HD1 71 HEM QM3 7.5 424.1
 HD1 71 HEM QT4 4.9 15000
54 LYS+ HN 54 LYS+ HA 4.7 2200
 HN 54 LYS+ HB2 4 5899
 HN 54 LYS+ HB3 4.1 5637
 HN 54 LYS+ HG2 4 6386
 HN 54 LYS+ HG3 4.8 2481
 HN 54 LYS+ HD2 3.8 8398
 HN 54 LYS+ QE 6.7 1074
 HN 55 SER HN 4.1 5304
 HA 54 LYS+ HB2 3.8 7765
 HA 54 LYS+ HB3 4.1 5142
 HA 54 LYS+ HG2 3.6 10290
 HA 54 LYS+ HG3 3.3 17400
 HA 54 LYS+ HD2 4.7 2700
 HA 54 LYS+ HD3 4.3 4685
 HA 55 SER HN 4.6 2612
 HA 56 ASN HN 5.1 1090
 HB2 54 LYS+ HG2 3.3 17320
 HB2 54 LYS+ HG3 4.1 5539
 HB2 54 LYS+ HD2 2.8 39940
 HB2 54 LYS+ HD3 3.1 25230
 HB2 54 LYS+ QE 6.5 1332
 HB2 55 SER HN 5.2 1316
 HB3 54 LYS+ HG2 2.7 46500
 HB3 54 LYS+ HG3 3.3 17090
 HB3 54 LYS+ QE 6.5 1304
 HB3 55 SER HN 4.7 2324
 HG2 54 LYS+ HD2 2.7 49820
 HG2 54 LYS+ HD3 2.6 62650
 HG2 54 LYS+ QE 7.4 596
 HG3 54 LYS+ HD2 3.8 8426
 HG3 54 LYS+ HD3 3.6 11450
 HG3 54 LYS+ QE 7.5 233
 HD2 54 LYS+ QE 6.4 1457.5
 HD3 54 LYS+ QE 5.2 4864.5
55 SER HN 55 SER HA 4.5 3033
 HN 55 SER HB2 4.2 4421
 HN 55 SER HB3 4.4 3374
 HN 56 ASN HN 3.6 11830
 HA 55 SER HB2 4.1 5168
 HA 55 SER HB3 3.7 9268
 HA 56 ASN HN 4.7 2174
 HB2 56 ASN HN 5.6 835.5
 HB2 56 ASN HD22 6.1 303.6
 HB3 56 ASN HN 6.1 497
 HB3 56 ASN QB 6 1016
56 ASN HN 56 ASN HA 4.3 3763
 HN 56 ASN QB 5.7 1376.5
 HN 56 ASN HD22 6.5 129.8
 HN 57 ASN HN 5.2 1212
 HA 56 ASN QB 4.5 7670
 HA 56 ASN HD22 5.1 1952
 HA 57 ASN HN 4 5707
 HB2 56 ASN HD21 4.7 2723
 HB2 56 ASN HD22 4.4 3947
 QB 56 ASN HD21 6.6 1194.5
 QB 56 ASN HD22 5.5 3420
 QB 57 ASN HN 5.1 5110
 QB 70 HEM QM5 6.9 5730
 QB 70 HEM HA62 6.1 991
 HD21 70 HEM HBM 4.2 2970
 HD21 70 HEM QM5 6.5 3736
 HD22 57 ASN HN 4.7 1573
 HD22 70 HEM HBM 4.2 3274
 HD22 70 HEM QM5 5.4 9472
57 ASN HN 57 ASN HA 3.5 12850
 HN 57 ASN HB2 3.7 10080
 HB2 57 ASN HD21 5.2 1714
 HB2 57 ASN HD22 4 6292
 HB3 57 ASN HD21 5.8 974
59 PRO HA 60 THR HN 4 6329
 HA 60 THR QG2 4.5 24720
 HA 61 LYS+ HN 4.4 2792
60 THR HN 60 THR HA 3.2 23570
 HN 60 THR QG2 5.6 6644
 HN 61 LYS+ HN 3.3 18500
 HN 61 LYS+ QG 5.3 2569.5
 HN 62 CYSS HN 4.6 2142
 HN 71 HEM QM3 7.5 850.3
 HA 60 THR QG2 6.5 2778
 HA 61 LYS+ HN 4.2 4332
 QG2 61 LYS+ HN 7.5 1365
61 LYS+ HN 61 LYS+ HA 4.7 2237
 HN 61 LYS+ QB 4.3 9265
 HN 61 LYS+ QG 5.5 3518
 HN 61 LYS+ QD 5 6170
 HA 61 LYS+ QB 6.2 1314.5
 HA 61 LYS+ QD 5.8 2485
 HA 62 CYSS HN 3.7 23150
 HA 71 HEM HT2A 6.1 332.8
 QB 61 LYS+ QD 5.7 9332.5
 QB 62 CYSS HN 5.5 3192.5
 QG 61 LYS+ QD 7.7 1057.8
 QG 62 CYSS HN 6.7 460.1
 QD 62 CYSS HN 5.5 1907
62 CYSS HN 62 CYSS HA 4.2 4682
 HN 62 CYSS HB2 4 6141
 HN 62 CYSS HB3 4.4 3449
 HN 63 GLY HN 4.6 2694
 HN 71 HEM HT2A 3.9 4749
 HN 71 HEM QT2 6.3 4320
 HN 71 HEM QM3 6.1 4955
 HA 62 CYSS HB2 5 1668
 HA 62 CYSS HB3 3.9 7315
 HA 63 GLY HN 4.9 1900
 HA 64 GLY HN 6 431
 HA 65 CYSS HN 6.5 110
 HA 71 HEM HT2A 3.6 7940
 HA 71 HEM QT2 7.5 255.6
 HA 71 HEM HAM 3.3 13940
 HA 71 HEM QM3 6.6 3328
 HB2 63 GLY HN 4 6468
 HB2 71 HEM HT2A 4.8 1375
 HB2 71 HEM HAM 4 4153
 HB2 71 HEM QM3 4 41280
 HB3 63 GLY HN 4.4 3595
 HB3 63 GLY HA2 5.6 760.9
 HB3 71 HEM QM1 7.5 644.4
 HB3 71 HEM HT2A 4.3 2752
 HB3 71 HEM HAM 4.5 2043
63 GLY HN 63 GLY HA1 3.6 11790
 HN 63 GLY HA2 3.3 20380
 HN 64 GLY HN 3.7 10160
 HN 64 GLY HA1 5.9 555.7
 HN 65 CYSS HN 5.4 825.3
 HN 66 HIS HN 6.5 95
 HN 68 LYS+ HN 5.8 925
 HN 71 HEM HT2A 4.8 1437
 HN 71 HEM HAM 3.9 4531
 HA1 66 HIS HN 4.6 2090
 HA2 64 GLY HN 4.9 1852
64 GLY HN 64 GLY HA1 3.7 10120
 HN 64 GLY HA2 3.7 9722
 HN 65 CYSS HN 4.1 5543
 HN 65 CYSS HB2 6.5 239.7
 HN 66 HIS HN 4.8 1604
 HN 71 HEM HAM 5.5 602.7
 HN 71 HEM QM3 7.5 659.7
 HA1 65 CYSS HN 4.3 4127
 HA2 65 CYSS HN 4.8 2139
 HA2 71 HEM HAM 5 1045
65 CYSS HN 65 CYSS HA 4.7 2200
 HN 65 CYSS HB2 4.1 5026
 HN 65 CYSS HB3 4.1 5360
 HN 66 HIS HN 4.1 5486
 HN 66 HIS HA 6.5 269
 HN 66 HIS HB2 5.8 625
 HN 67 ILE QG1 7 354
 HN 71 HEM QM3 7.3 2001
 HN 71 HEM HBM 6.1 307
 HA 65 CYSS HB2 4.2 4798
 HA 65 CYSS HB3 4.3 4238
 HA 66 HIS HN 5.8 638.1
 HA 70 HEM QM8 6.3 4296
 HB2 66 HIS HN 4.9 1860
 HB2 70 HEM QM1 7.5 524
 HB2 71 HEM QM3 7.5 447.9
 HB2 71 HEM HT4A 4.2 3242
 HB2 71 HEM HBM 4.1 3339
 HB3 66 HIS HN 3.5 14450
 HB3 71 HEM QM3 5.6 7545
 HB3 71 HEM HT4A 4.2 3246
66 HIS HN 66 HIS HA 4.8 2160
 HN 66 HIS HB2 4.5 3207
 HN 66 HIS HB3 4.7 2313
 HN 66 HIS QB 5.9 1083
 HN 66 HIS HD1 6.5 239
 HN 67 ILE HN 4.8 2160
 HN 71 HEM QM3 7.5 355.6
 HA 66 HIS HB2 3.8 8713
 HA 66 HIS QB 5.3 3875.5
 HA 66 HIS HD1 4.4 4120
 HA 67 ILE HN 3.5 14580
 HA 67 ILE HA 6.5 207.4
 HA 67 ILE HB 6.2 438.3
 HB2 66 HIS HD1 4.9 2216
 HB3 66 HIS HD1 4.8 2414
 QB 66 HIS HD1 5.7 2767
 HD1 66 HIS HE1 3.6 11210
 HD1 67 ILE HN 6.5 220.6
 HE1 71 HEM HGM 3.8 5515
67 ILE HN 67 ILE HA 4.3 4060
 HN 67 ILE HB 3.8 9058
 HN 67 ILE QG2 5.5 7611
 HN 67 ILE QG1 6.6 1131.5
 HN 67 ILE QD1 5.8 5858
 HN 68 LYS+ HN 5.1 1391
 HA 67 ILE HB 3.6 10780
 HA 67 ILE QG2 4.5 28190
 HA 67 ILE QG1 5.6 2035.5
 HA 67 ILE QD1 4.9 15780
 HA 68 LYS+ HN 3 37160
 HB 67 ILE QG2 4.1 47580
 HB 67 ILE QG1 4.7 9520
 HB 67 ILE QD1 4.7 20910
 HB 68 LYS+ HN 4.6 2496
 QG2 67 ILE QG1 5.3 34760
 QG2 68 LYS+ HN 4.9 15100
 QG1 67 ILE QD1 5.7 20025
 QG1 68 LYS+ HN 5.6 1746.5
 QD1 68 LYS+ HN 6.1 5267
68 LYS+ HN 68 LYS+ HA 2.9 41360
 HN 68 LYS+ QB 4.7 5625
 HN 68 LYS+ QG 5.4 4161
 HN 68 LYS+ QD 5.6 3312
 HA 68 LYS+ QB 5.3 4200
 HA 68 LYS+ QG 4.6 6165
 HA 68 LYS+ QD 5.9 2311
 QB 68 LYS+ QG 5.6 10585
 QB 68 LYS+ QE 6 6562.5
 QG 68 LYS+ QD 6.5 3690
 QG 68 LYS+ QE 6.5 3462.5
 QD 68 LYS+ QE 7.3 1543.5
69 HEM QM8 69 HEM HDM 4.4 29530
 QM8 69 HEM QM1 6.1 4284
 HDM 69 HEM QM1 4.4 31660
 HDM 69 HEM QT2 6.3 3515
 QM1 69 HEM HT2A 7.5 902.4
 QM1 69 HEM QT2 4.8 17800
 HT2A 69 HEM QT2 5.1 12700
 HT2A 69 HEM HAM 2.7 45110
 QT2 69 HEM HAM 5.2 10740
 HAM 69 HEM QM3 4.8 17040
 QM3 69 HEM HT4A 7.5 1208
 QM3 69 HEM QT4 4.6 22900
 HT4A 69 HEM QT4 4.5 27620
 HT4A 69 HEM HBM 2.9 33020
 HT4A 69 HEM QM5 5.3 9479
 HT4A 70 HEM HAM 4.5 1875
 HT4A 70 HEM QM3 7.5 545.3
 QT4 69 HEM HBM 5.5 8219
 QT4 69 HEM QM5 7.1 1663
 QT4 70 HEM HAM 6.5 3729
 QT4 70 HEM QM3 5.6 7965
 QT4 70 HEM QT4 6 5489
 HBM 69 HEM QM5 4.7 19910
 HBM 70 HEM HAM 5.9 403
 QM5 69 HEM HA61 7.3 1429
 QM5 69 HEM HA62 7.5 1093
 QM5 70 HEM QT2 5.3 10200
 QM5 70 HEM HAM 7.5 985.9
 HGM 69 HEM HA61 3.4 14070
 HGM 69 HEM HA62 3.5 12990
70 HEM HA71 70 HEM HB73 3.5 12690
 HA71 70 HEM QM8 7 1819
 HA71 70 HEM HGM 3.8 8053
 HA72 70 HEM HB73 3.7 9381
 HA72 70 HEM HGM 4.2 4827
 HB73 70 HEM HB74 3.3 18290
 HB73 70 HEM QM8 4.6 22890
 HB73 70 HEM HGM 3.8 8845
 HB74 70 HEM HGM 5.2 1665
 QM8 70 HEM HDM 5.1 12070
 QM8 70 HEM QM1 5.9 5160
 HDM 70 HEM QM1 5.2 10410
 HDM 70 HEM QT2 6.5 2801
 HDM 71 HEM HT4A 5.5 598.8
 HDM 71 HEM QT4 7.5 1045
 HDM 71 HEM HBM 5.3 743
 HDM 71 HEM QM5 7.5 686
 QM1 70 HEM HT2A 7.5 285.6
 QM1 70 HEM QT2 4.4 29730
 QM1 71 HEM HT4A 5.8 6391
 QM1 71 HEM QT4 5.6 7466
 QM1 71 HEM HBM 6.2 4721
 QM1 71 HEM QM5 6.2 4657
 HT2A 70 HEM QT2 4.8 18340
 HT2A 70 HEM HAM 3.1 23850
 HT2A 70 HEM QM3 5 14680
 QT2 70 HEM HAM 5.7 6313
 QT2 71 HEM HBM 7.3 2097
 QT2 71 HEM QM5 7.5 1750
 HAM 70 HEM QM3 5.3 10220
 HAM 70 HEM QT4 7.5 1113
 QM3 70 HEM HT4A 7.5 1167
 QM3 70 HEM QT4 4.3 32410
 HT4A 70 HEM QT4 4.4 31150
 HT4A 70 HEM HBM 2.9 32490
 HT4A 70 HEM QM5 5.6 7131
 QT4 70 HEM HBM 5.2 10470
 QT4 70 HEM QM5 5.5 7843
 HBM 70 HEM QM5 4.7 21010
 QM5 70 HEM HA61 7.5 1113
 QM5 70 HEM HA62 6.4 3010
 HGM 70 HEM HA61 3.5 13260
71 HEM QAP7 71 HEM QBP7 4.6 3168
 QAP7 71 HEM QM8 6.2 3637
 QAP7 71 HEM HGM 3.3 16790
 QBP7 71 HEM QM8 6 4701
 QBP7 71 HEM HGM 5.9 910.9
 QM8 71 HEM HDM 4.5 28150
 QM8 71 HEM HGM 7.5 258.7
 HDM 71 HEM QM1 4.5 27910
 QM1 71 HEM HT2A 6.9 2042
 QM1 71 HEM QT2 4.6 24060
 HT2A 71 HEM QT2 4.8 17000
 HT2A 71 HEM HAM 2.9 30730
 HT2A 71 HEM QM3 5.7 6322
 QT2 71 HEM HAM 5.2 11090
 QT2 71 HEM QM3 6.6 2582
 HAM 71 HEM QM3 4.7 21550
 QM3 71 HEM HT4A 7.5 610.6
 QM3 71 HEM QT4 4.5 28180
 HT4A 71 HEM QT4 4.7 20220
 HT4A 71 HEM HBM 2.8 38200
 HT4A 71 HEM QM5 5.6 7300
 QT4 71 HEM HBM 5.1 12720
 QT4 71 HEM QM5 7.5 778.9
 HBM 71 HEM QM5 4.7 21140
 QM5 71 HEM HA61 6.6 2498
 QM5 71 HEM HA62 6 4518
 QM5 71 HEM QBP6 6.5 2793
 HGM 71 HEM HA61 4 6495
 HGM 71 HEM HA62 4.8 2523
 HGM 71 HEM QBP6 4.8 2525
 HA61 71 HEM HA62 4.5 3381
 HA61 71 HEM QBP6 3.8 8634
                                               

  Entry H atom name         Submitted Coord H atom name
    1   1H    ALA   1           H1       ALA   1  11.022   4.025  -6.275
    2   2H    ALA   1           H2       ALA   1   9.852   4.551  -7.306
    3   3H    ALA   1           H3       ALA   1   9.852   4.551  -7.306
    4    HA   ALA   1           HA       ALA   1  11.259   2.224  -7.485
    5   1HB   ALA   1           HB1      ALA   1  12.009   2.384  -9.834
    6   2HB   ALA   1           HB2      ALA   1  11.591   4.110  -9.874
    7   3HB   ALA   1           HB3      ALA   1  12.910   3.534  -8.831
    8    H    ASP   2           H        ASP   2  10.059   1.202  -9.756
    9    HA   ASP   2           HA       ASP   2   7.346   2.142  -9.909
   10   1HB   ASP   2           HB2      ASP   2   7.409   0.455 -11.830
   11   2HB   ASP   2           HB3      ASP   2   8.667   1.688 -12.005
   12    H    VAL   3           H        VAL   3   9.333  -0.659  -8.954
   13    HA   VAL   3           HA       VAL   3   7.030  -1.399  -7.169
   14    HB   VAL   3           HB       VAL   3   7.377  -3.120  -8.850
   15   1HG1  VAL   3          HG11      VAL   3  10.173  -3.488  -7.689
   16   2HG1  VAL   3          HG12      VAL   3   9.380  -4.513  -8.899
   17   3HG1  VAL   3          HG13      VAL   3   9.796  -2.842  -9.302
   18   1HG2  VAL   3          HG21      VAL   3   6.572  -3.705  -6.586
   19   2HG2  VAL   3          HG22      VAL   3   7.482  -5.021  -7.342
   20   3HG2  VAL   3          HG23      VAL   3   8.243  -4.036  -6.078
   21    H    VAL   4           H        VAL   4   7.417  -1.523  -5.019
   22    HA   VAL   4           HA       VAL   4  10.231  -1.372  -4.008
   23    HB   VAL   4           HB       VAL   4   7.883   0.232  -3.040
   24   1HG1  VAL   4          HG11      VAL   4  10.705  -0.122  -1.883
   25   2HG1  VAL   4          HG12      VAL   4   9.573   1.131  -1.354
   26   3HG1  VAL   4          HG13      VAL   4   9.202  -0.565  -1.064
   27   1HG2  VAL   4          HG21      VAL   4   8.986   1.274  -4.949
   28   2HG2  VAL   4          HG22      VAL   4   9.360   2.162  -3.462
   29   3HG2  VAL   4          HG23      VAL   4  10.573   1.065  -4.164
   30    H    THR   5           H        THR   5  10.378  -2.310  -1.842
   31    HA   THR   5           HA       THR   5   7.905  -3.365  -0.901
   32    HB   THR   5           HB       THR   5   8.876  -5.375  -2.001
   33    HG1  THR   5           HG1      THR   5   7.982  -5.182   0.271
   34   1HG2  THR   5          HG21      THR   5  11.295  -5.033  -0.167
   35   2HG2  THR   5          HG22      THR   5  10.967  -6.395  -1.249
   36   3HG2  THR   5          HG23      THR   5  11.295  -4.793  -1.929
   37    H    TYR   6           H        TYR   6   7.609  -3.315   1.200
   38    HA   TYR   6           HA       TYR   6   9.730  -2.267   3.001
   39   1HB   TYR   6           HB2      TYR   6   6.897  -3.212   3.567
   40   2HB   TYR   6           HB3      TYR   6   8.039  -2.642   4.774
   41    HD1  TYR   6           HD1      TYR   6   5.813  -1.652   2.022
   42    HD2  TYR   6           HD2      TYR   6   8.717  -0.258   4.884
   43    HE1  TYR   6           HE1      TYR   6   5.333   0.672   1.386
   44    HE2  TYR   6           HE2      TYR   6   8.113   2.087   4.343
   45    HH   TYR   6           HH       TYR   6   5.977   2.876   1.689
   46    H    GLU   7           H        GLU   7  11.346  -3.829   3.129
   47    HA   GLU   7           HA       GLU   7  10.719  -6.629   3.513
   48   1HB   GLU   7           HB2      GLU   7  13.130  -6.794   4.095
   49   2HB   GLU   7           HB3      GLU   7  12.695  -6.396   2.433
   50   1HG   GLU   7           HG2      GLU   7  13.334  -4.070   2.711
   51   2HG   GLU   7           HG3      GLU   7  13.529  -4.282   4.466
   52    H    ASN   8           H        ASN   8   9.269  -6.337   5.061
   53    HA   ASN   8           HA       ASN   8   9.998  -5.604   7.849
   54   1HB   ASN   8           HB2      ASN   8   7.644  -5.765   8.318
   55   2HB   ASN   8           HB3      ASN   8   7.840  -4.850   6.818
   56   1HD2  ASN   8          HD21      ASN   8   6.433  -7.427   4.739
   57   2HD2  ASN   8          HD22      ASN   8   7.330  -5.907   4.758
   58    H    LYS   9           H        LYS   9   9.100  -7.195   9.583
   59    HA   LYS   9           HA       LYS   9  10.796  -9.424   9.268
   60   1HB   LYS   9           HB2      LYS   9  10.178  -8.148  11.420
   61   2HB   LYS   9           HB3      LYS   9   8.627  -8.975  11.370
   62   1HG   LYS   9           HG2      LYS   9   9.663 -10.414  12.758
   63   2HG   LYS   9           HG3      LYS   9  10.227 -11.178  11.274
   64   1HD   LYS   9           HD2      LYS   9  11.668  -9.102  12.958
   65   2HD   LYS   9           HD3      LYS   9  12.006 -10.848  12.928
   66   1HE   LYS   9           HE2      LYS   9  12.605 -10.604  10.460
   67   2HE   LYS   9           HE3      LYS   9  12.448  -8.844  10.656
   68   1HZ   LYS   9           HZ1      LYS   9  14.368 -10.546  12.085
   69   2HZ   LYS   9           HZ2      LYS   9  14.699  -9.524  10.841
   70   3HZ   LYS   9           HZ3      LYS   9  14.194  -8.918  12.281
   71    H    LYS  10           H        LYS  10   7.280  -9.209   9.333
   72    HA   LYS  10           HA       LYS  10   6.576 -11.911   9.484
   73   1HB   LYS  10           HB2      LYS  10   5.296  -9.839   7.632
   74   2HB   LYS  10           HB3      LYS  10   4.543 -11.358   8.049
   75   1HG   LYS  10           HG2      LYS  10   5.292  -9.428  10.226
   76   2HG   LYS  10           HG3      LYS  10   3.944  -9.055   9.154
   77   1HD   LYS  10           HD2      LYS  10   3.189 -10.197  11.212
   78   2HD   LYS  10           HD3      LYS  10   2.756 -11.060   9.727
   79   1HE   LYS  10           HE2      LYS  10   4.569 -12.680  10.091
   80   2HE   LYS  10           HE3      LYS  10   5.172 -11.747  11.481
   81   1HZ   LYS  10           HZ1      LYS  10   2.576 -13.130  11.306
   82   2HZ   LYS  10           HZ2      LYS  10   3.894 -13.648  12.137
   83   3HZ   LYS  10           HZ3      LYS  10   3.119 -12.280  12.612
   84    H    GLY  11           H        GLY  11   7.164 -10.028   6.575
   85   1HA   GLY  11           HA2      GLY  11   7.970 -11.999   4.704
   86   2HA   GLY  11           HA3      GLY  11   6.185 -11.976   4.825
   87    H    ASN  12           H        ASN  12   8.591 -10.655   3.113
   88    HA   ASN  12           HA       ASN  12   8.409  -7.892   3.482
   89   1HB   ASN  12           HB2      ASN  12   9.187  -9.355   0.941
   90   2HB   ASN  12           HB3      ASN  12   9.602  -7.693   1.370
   91   1HD2  ASN  12          HD21      ASN  12  11.622  -9.508   4.211
   92   2HD2  ASN  12          HD22      ASN  12   9.987  -8.931   4.392
   93    H    VAL  13           H        VAL  13   7.171  -6.263   2.606
   94    HA   VAL  13           HA       VAL  13   4.628  -7.157   1.309
   95    HB   VAL  13           HB       VAL  13   5.344  -4.721   2.947
   96   1HG1  VAL  13          HG11      VAL  13   3.093  -5.166   0.975
   97   2HG1  VAL  13          HG12      VAL  13   2.793  -4.223   2.442
   98   3HG1  VAL  13          HG13      VAL  13   4.027  -3.692   1.289
   99   1HG2  VAL  13          HG21      VAL  13   4.624  -6.940   3.979
  100   2HG2  VAL  13          HG22      VAL  13   3.651  -5.532   4.413
  101   3HG2  VAL  13          HG23      VAL  13   3.048  -6.697   3.217
  102    H    THR  14           H        THR  14   5.068  -7.268  -0.834
  103    HA   THR  14           HA       THR  14   6.597  -5.289  -2.267
  104    HB   THR  14           HB       THR  14   4.500  -7.261  -3.272
  105    HG1  THR  14           HG1      THR  14   6.376  -8.566  -3.587
  106   1HG2  THR  14          HG21      THR  14   6.860  -5.900  -4.662
  107   2HG2  THR  14          HG22      THR  14   5.856  -7.182  -5.370
  108   3HG2  THR  14          HG23      THR  14   5.136  -5.614  -5.001
  109    H    PHE  15           H        PHE  15   5.860  -3.471  -3.354
  110    HA   PHE  15           HA       PHE  15   2.987  -3.212  -3.816
  111   1HB   PHE  15           HB2      PHE  15   2.782  -0.931  -3.084
  112   2HB   PHE  15           HB3      PHE  15   3.120  -2.017  -1.751
  113    HD1  PHE  15           HD1      PHE  15   5.558  -2.217  -0.914
  114    HD2  PHE  15           HD2      PHE  15   4.076   1.057  -3.308
  115    HE1  PHE  15           HE1      PHE  15   7.273  -0.727   0.046
  116    HE2  PHE  15           HE2      PHE  15   5.752   2.565  -2.272
  117    HZ   PHE  15           HZ       PHE  15   7.295   1.671  -0.522
  118    H    ASP  16           H        ASP  16   3.026  -3.269  -5.915
  119    HA   ASP  16           HA       ASP  16   4.830  -2.067  -7.683
  120   1HB   ASP  16           HB2      ASP  16   1.883  -2.725  -8.054
  121   2HB   ASP  16           HB3      ASP  16   3.138  -2.593  -9.314
  122    H    HIS  17           HN       HIS  17   5.095  -0.100  -6.463
  123    HA   HIS  17           HA       HIS  17   3.508   2.072  -6.018
  124   1HB   HIS  17           HB2      HIS  17   5.966   1.784  -5.594
  125   2HB   HIS  17           HB3      HIS  17   6.293   2.019  -7.295
  126    HD1  HIS  17           HND      HIS  17   6.999   4.386  -7.857
  127    HD2  HIS  17           HD       HIS  17   4.441   4.080  -4.533
  128    HE1  HIS  17           HE       HIS  17   6.605   6.781  -6.975
  129    H    LYS  18           H        LYS  18   5.223   1.525  -9.073
  130    HA   LYS  18           HA       LYS  18   4.134   3.507 -10.739
  131   1HB   LYS  18           HB2      LYS  18   6.015   2.404 -11.495
  132   2HB   LYS  18           HB3      LYS  18   5.317   0.770 -11.216
  133   1HG   LYS  18           HG2      LYS  18   3.858   1.030 -13.035
  134   2HG   LYS  18           HG3      LYS  18   4.277   2.768 -13.197
  135   1HD   LYS  18           HD2      LYS  18   6.605   2.039 -13.786
  136   2HD   LYS  18           HD3      LYS  18   6.038   0.359 -13.832
  137   1HE   LYS  18           HE2      LYS  18   4.963   2.697 -15.503
  138   2HE   LYS  18           HE3      LYS  18   6.051   1.449 -16.122
  139   1HZ   LYS  18           HZ1      LYS  18   3.487   0.592 -14.965
  140   2HZ   LYS  18           HZ2      LYS  18   3.385   1.378 -16.302
  141   3HZ   LYS  18           HZ3      LYS  18   4.297  -0.023 -16.260
  142    H    ALA  19           H        ALA  19   3.063   0.091 -10.306
  143    HA   ALA  19           HA       ALA  19   0.939   0.142 -12.146
  144   1HB   ALA  19           HB1      ALA  19   1.760  -1.896 -11.002
  145   2HB   ALA  19           HB2      ALA  19   0.990  -1.281  -9.503
  146   3HB   ALA  19           HB3      ALA  19  -0.011  -1.704 -10.899
  147    H    HIS  20           HN       HIS  20   0.836   0.743  -8.598
  148    HA   HIS  20           HA       HIS  20  -1.942   1.417  -8.454
  149   1HB   HIS  20           HB2      HIS  20   0.469   2.225  -6.772
  150   2HB   HIS  20           HB3      HIS  20  -1.181   2.723  -6.421
  151    HD1  HIS  20           HND      HIS  20   0.782  -0.604  -6.742
  152    HD2  HIS  20           HD       HIS  20  -2.626   1.121  -4.989
  153    HE1  HIS  20           HE       HIS  20  -0.215  -2.361  -5.158
  154    H    ALA  21           H        ALA  21   0.976   3.240  -9.238
  155    HA   ALA  21           HA       ALA  21  -0.260   5.852  -9.203
  156   1HB   ALA  21           HB1      ALA  21   2.162   5.058 -10.859
  157   2HB   ALA  21           HB2      ALA  21   1.677   6.669 -10.325
  158   3HB   ALA  21           HB3      ALA  21   2.208   5.452  -9.136
  159    H    GLU  22           H        GLU  22   0.345   3.650 -11.927
  160    HA   GLU  22           HA       GLU  22  -0.838   5.509 -13.829
  161   1HB   GLU  22           HB2      GLU  22  -0.325   3.908 -15.547
  162   2HB   GLU  22           HB3      GLU  22   1.043   4.122 -14.454
  163   1HG   GLU  22           HG2      GLU  22   0.171   1.979 -13.275
  164   2HG   GLU  22           HG3      GLU  22  -0.782   1.718 -14.741
  165    H    LYS  23           H        LYS  23  -1.911   2.471 -12.272
  166    HA   LYS  23           HA       LYS  23  -4.451   2.244 -13.467
  167   1HB   LYS  23           HB2      LYS  23  -3.473   1.605 -10.655
  168   2HB   LYS  23           HB3      LYS  23  -4.980   0.997 -11.329
  169   1HG   LYS  23           HG2      LYS  23  -2.336   0.499 -12.784
  170   2HG   LYS  23           HG3      LYS  23  -2.786  -0.464 -11.387
  171   1HD   LYS  23           HD2      LYS  23  -4.990  -0.187 -13.317
  172   2HD   LYS  23           HD3      LYS  23  -3.512  -0.806 -14.075
  173   1HE   LYS  23           HE2      LYS  23  -3.312  -2.587 -12.353
  174   2HE   LYS  23           HE3      LYS  23  -4.700  -1.930 -11.477
  175   1HZ   LYS  23           HZ1      LYS  23  -4.798  -3.218 -14.123
  176   2HZ   LYS  23           HZ2      LYS  23  -5.271  -3.811 -12.655
  177   3HZ   LYS  23           HZ3      LYS  23  -6.095  -2.564 -13.310
  178    H    LEU  24           H        LEU  24  -3.454   4.018 -10.471
  179    HA   LEU  24           HA       LEU  24  -6.231   4.965 -10.136
  180   1HB   LEU  24           HB2      LEU  24  -3.835   5.371  -8.331
  181   2HB   LEU  24           HB3      LEU  24  -5.530   5.633  -7.945
  182    HG   LEU  24           HG       LEU  24  -4.449   2.867  -8.692
  183   1HD1  LEU  24          HD11      LEU  24  -4.673   4.195  -5.983
  184   2HD1  LEU  24          HD12      LEU  24  -4.411   2.450  -6.242
  185   3HD1  LEU  24          HD13      LEU  24  -3.209   3.637  -6.777
  186   1HD2  LEU  24          HD21      LEU  24  -6.870   3.075  -8.923
  187   2HD2  LEU  24          HD22      LEU  24  -6.486   2.120  -7.484
  188   3HD2  LEU  24          HD23      LEU  24  -6.997   3.814  -7.314
  189    H    GLY  25           H        GLY  25  -2.897   6.475 -10.281
  190   1HA   GLY  25           HA2      GLY  25  -3.120   8.474 -11.869
  191   2HA   GLY  25           HA3      GLY  25  -4.115   9.159 -10.561
  192    H    CYS  26           HN       CYS  26  -3.172   9.305  -8.447
  193    HA   CYS  26           HA       CYS  26  -0.468   8.890  -7.724
  194   1HB   CYS  26           HB2      CYS  26  -0.307  10.796  -9.693
  195   2HB   CYS  26           HB3      CYS  26  -0.745  11.831  -8.363
  196    H    ASP  27           H        ASP  27  -3.022  11.102  -7.774
  197    HA   ASP  27           HA       ASP  27  -3.257  12.566  -5.427
  198   1HB   ASP  27           HB2      ASP  27  -5.675  12.378  -6.019
  199   2HB   ASP  27           HB3      ASP  27  -4.672  12.837  -7.398
  200    H    ALA  28           H        ALA  28  -4.304   9.335  -6.277
  201    HA   ALA  28           HA       ALA  28  -5.645   8.304  -4.211
  202   1HB   ALA  28           HB1      ALA  28  -3.295   7.014  -5.662
  203   2HB   ALA  28           HB2      ALA  28  -4.530   6.130  -4.735
  204   3HB   ALA  28           HB3      ALA  28  -4.990   7.050  -6.190
  205    H    CYS  29           HN       CYS  29  -2.123   8.794  -4.173
  206    HA   CYS  29           HA       CYS  29  -2.070   8.144  -1.232
  207   1HB   CYS  29           HB2      CYS  29   0.081   7.616  -3.257
  208   2HB   CYS  29           HB3      CYS  29   0.073   7.147  -1.545
  209    H    HIS  30           HN       HIS  30  -0.848  10.254  -3.850
  210    HA   HIS  30           HA       HIS  30   0.619  11.903  -1.818
  211   1HB   HIS  30           HB2      HIS  30   1.164  11.452  -4.762
  212   2HB   HIS  30           HB3      HIS  30   2.052  12.544  -3.712
  213    HD1  HIS  30           HND      HIS  30   3.427  11.236  -1.654
  214    HD2  HIS  30           HD       HIS  30   2.199   9.150  -5.041
  215    HE1  HIS  30           HE       HIS  30   5.079   9.217  -1.980
  216    H    GLU  31           H        GLU  31  -1.147  13.211  -1.375
  217    HA   GLU  31           HA       GLU  31  -2.795  14.394  -3.427
  218   1HB   GLU  31           HB2      GLU  31  -2.484  15.539  -0.589
  219   2HB   GLU  31           HB3      GLU  31  -3.841  15.626  -1.710
  220   1HG   GLU  31           HG2      GLU  31  -3.974  13.138  -1.546
  221   2HG   GLU  31           HG3      GLU  31  -2.810  13.175  -0.213
  222    H    GLY  32           H        GLY  32  -0.608  15.858  -1.165
  223   1HA   GLY  32           HA2      GLY  32  -0.520  18.423  -2.490
  224   2HA   GLY  32           HA3      GLY  32   0.463  17.946  -1.098
  225    H    THR  33           H        THR  33   2.219  16.204  -1.724
  226    HA   THR  33           HA       THR  33   3.234  16.224  -4.381
  227    HB   THR  33           HB       THR  33   3.951  18.523  -3.512
  228    HG1  THR  33           HG1      THR  33   6.009  18.279  -4.352
  229   1HG2  THR  33          HG21      THR  33   5.923  16.939  -1.807
  230   2HG2  THR  33          HG22      THR  33   5.787  18.696  -1.956
  231   3HG2  THR  33          HG23      THR  33   4.500  17.781  -1.150
  232    HA   PRO  34           HA       PRO  34   4.830  12.602  -2.203
  233   1HB   PRO  34           HB2      PRO  34   6.577  11.553  -3.959
  234   2HB   PRO  34           HB3      PRO  34   4.820  11.531  -4.277
  235   1HG   PRO  34           HG2      PRO  34   6.838  13.468  -5.351
  236   2HG   PRO  34           HG3      PRO  34   5.506  12.614  -6.204
  237   1HD   PRO  34           HD2      PRO  34   5.297  15.204  -5.318
  238   2HD   PRO  34           HD3      PRO  34   3.896  14.097  -5.381
  239    H    ALA  35           H        ALA  35   6.423  12.316  -0.685
  240    HA   ALA  35           HA       ALA  35   9.142  13.299  -1.095
  241   1HB   ALA  35           HB1      ALA  35   8.028  15.358  -0.311
  242   2HB   ALA  35           HB2      ALA  35   7.351  14.484   1.079
  243   3HB   ALA  35           HB3      ALA  35   9.110  14.715   0.942
  244    H    LYS  36           H        LYS  36   8.609  10.870  -1.144
  245    HA   LYS  36           HA       LYS  36   8.347   8.806  -0.303
  246   1HB   LYS  36           HB2      LYS  36   9.165   9.855   2.442
  247   2HB   LYS  36           HB3      LYS  36   9.045   8.188   1.918
  248   1HG   LYS  36           HG2      LYS  36  10.816   9.429   0.060
  249   2HG   LYS  36           HG3      LYS  36  11.306   9.953   1.674
  250   1HD   LYS  36           HD2      LYS  36  10.764   7.088   0.776
  251   2HD   LYS  36           HD3      LYS  36  12.362   7.795   0.932
  252   1HE   LYS  36           HE2      LYS  36  12.343   7.800   3.235
  253   2HE   LYS  36           HE3      LYS  36  10.616   7.939   3.410
  254   1HZ   LYS  36           HZ1      LYS  36  11.444   5.425   2.238
  255   2HZ   LYS  36           HZ2      LYS  36  11.722   5.643   3.881
  256   3HZ   LYS  36           HZ3      LYS  36  10.243   5.801   3.147
  257    H    ILE  37           H        ILE  37   7.154   7.742   1.765
  258    HA   ILE  37           HA       ILE  37   5.074   9.513   2.863
  259    HB   ILE  37           HB       ILE  37   4.254   6.707   2.055
  260   1HG1  ILE  37          HG12      ILE  37   3.848   9.289   0.529
  261   2HG1  ILE  37          HG13      ILE  37   4.661   7.788   0.024
  262   1HG2  ILE  37          HG21      ILE  37   2.634   9.158   2.885
  263   2HG2  ILE  37          HG22      ILE  37   2.002   7.524   2.599
  264   3HG2  ILE  37          HG23      ILE  37   3.062   7.821   3.970
  265   1HD1  ILE  37          HD11      ILE  37   1.676   8.258   0.457
  266   2HD1  ILE  37          HD12      ILE  37   2.495   7.854  -1.051
  267   3HD1  ILE  37          HD13      ILE  37   2.379   6.640   0.237
  268    H    ALA  38           H        ALA  38   6.460   6.321   2.873
  269    HA   ALA  38           HA       ALA  38   7.404   4.975   4.406
  270   1HB   ALA  38           HB1      ALA  38   8.490   6.997   5.297
  271   2HB   ALA  38           HB2      ALA  38   7.154   7.198   6.460
  272   3HB   ALA  38           HB3      ALA  38   8.167   5.747   6.528
  273    H    ILE  39           H        ILE  39   5.409   3.894   3.884
  274    HA   ILE  39           HA       ILE  39   3.212   4.106   5.851
  275    HB   ILE  39           HB       ILE  39   3.554   2.624   3.234
  276   1HG1  ILE  39          HG12      ILE  39   3.049   5.013   3.042
  277   2HG1  ILE  39          HG13      ILE  39   1.697   4.001   2.544
  278   1HG2  ILE  39          HG21      ILE  39   1.457   2.290   5.372
  279   2HG2  ILE  39          HG22      ILE  39   1.040   2.070   3.666
  280   3HG2  ILE  39          HG23      ILE  39   2.305   1.071   4.388
  281   1HD1  ILE  39          HD11      ILE  39   1.891   5.666   5.072
  282   2HD1  ILE  39          HD12      ILE  39   0.745   5.805   3.737
  283   3HD1  ILE  39          HD13      ILE  39   0.646   4.419   4.826
  284    H    ASP  40           H        ASP  40   3.519   3.196   7.655
  285    HA   ASP  40           HA       ASP  40   5.265   0.828   7.977
  286   1HB   ASP  40           HB2      ASP  40   5.459   1.391  10.241
  287   2HB   ASP  40           HB3      ASP  40   5.510   2.943   9.445
  288    H    LYS  41           H        LYS  41   4.464  -0.520   9.794
  289    HA   LYS  41           HA       LYS  41   2.221  -2.062   9.400
  290   1HB   LYS  41           HB2      LYS  41   2.202  -1.863  12.208
  291   2HB   LYS  41           HB3      LYS  41   3.026  -3.055  11.229
  292   1HG   LYS  41           HG2      LYS  41   5.038  -1.717  11.266
  293   2HG   LYS  41           HG3      LYS  41   4.253  -0.412  12.146
  294   1HD   LYS  41           HD2      LYS  41   4.101  -1.740  14.112
  295   2HD   LYS  41           HD3      LYS  41   4.384  -3.260  13.248
  296   1HE   LYS  41           HE2      LYS  41   6.441  -1.011  13.412
  297   2HE   LYS  41           HE3      LYS  41   6.395  -2.373  14.541
  298   1HZ   LYS  41           HZ1      LYS  41   6.725  -2.777  11.588
  299   2HZ   LYS  41           HZ2      LYS  41   7.953  -2.696  12.670
  300   3HZ   LYS  41           HZ3      LYS  41   6.864  -3.878  12.769
  301    H    LYS  42           H        LYS  42   2.256   0.801  11.544
  302    HA   LYS  42           HA       LYS  42  -0.497   0.645  12.292
  303   1HB   LYS  42           HB2      LYS  42   1.293   3.103  12.119
  304   2HB   LYS  42           HB3      LYS  42  -0.239   2.983  12.987
  305   1HG   LYS  42           HG2      LYS  42   0.684   1.562  14.661
  306   2HG   LYS  42           HG3      LYS  42   2.067   1.120  13.654
  307   1HD   LYS  42           HD2      LYS  42   2.813   2.643  15.366
  308   2HD   LYS  42           HD3      LYS  42   3.000   3.335  13.748
  309   1HE   LYS  42           HE2      LYS  42   0.886   4.663  14.091
  310   2HE   LYS  42           HE3      LYS  42   0.749   3.987  15.724
  311   1HZ   LYS  42           HZ1      LYS  42   2.946   5.665  14.699
  312   2HZ   LYS  42           HZ2      LYS  42   1.751   6.157  15.714
  313   3HZ   LYS  42           HZ3      LYS  42   2.860   5.056  16.228
  314    H    SER  43           H        SER  43   1.121   2.909   9.959
  315    HA   SER  43           HA       SER  43  -1.265   4.070   9.047
  316   1HB   SER  43           HB2      SER  43   1.286   3.658   7.430
  317   2HB   SER  43           HB3      SER  43   0.056   4.921   7.215
  318    HG   SER  43           HG       SER  43   1.894   4.530   9.352
  319    H    ALA  44           H        ALA  44   0.633   1.487   7.551
  320    HA   ALA  44           HA       ALA  44  -0.747   0.771   5.287
  321   1HB   ALA  44           HB1      ALA  44   0.303  -1.387   5.545
  322   2HB   ALA  44           HB2      ALA  44   1.435  -0.099   6.035
  323   3HB   ALA  44           HB3      ALA  44   0.626  -1.077   7.263
  324    H    HIS  45           HN       HIS  45  -1.130  -0.717   8.538
  325    HA   HIS  45           HA       HIS  45  -3.361  -2.327   7.665
  326   1HB   HIS  45           HB2      HIS  45  -2.060  -1.805  10.346
  327   2HB   HIS  45           HB3      HIS  45  -3.550  -2.700  10.186
  328    HD1  HIS  45           HND      HIS  45  -2.744  -4.940  10.921
  329    HD2  HIS  45           HD       HIS  45  -0.556  -3.355   7.685
  330    HE1  HIS  45           HE       HIS  45  -1.285  -6.794  10.054
  331    H    LYS  46           H        LYS  46  -3.063   0.911   9.078
  332    HA   LYS  46           HA       LYS  46  -5.733   0.782  10.296
  333   1HB   LYS  46           HB2      LYS  46  -3.857   1.818  11.430
  334   2HB   LYS  46           HB3      LYS  46  -3.679   3.031  10.157
  335   1HG   LYS  46           HG2      LYS  46  -6.153   2.687  11.909
  336   2HG   LYS  46           HG3      LYS  46  -4.781   3.749  12.279
  337   1HD   LYS  46           HD2      LYS  46  -5.165   4.876  10.027
  338   2HD   LYS  46           HD3      LYS  46  -6.703   3.979   9.960
  339   1HE   LYS  46           HE2      LYS  46  -7.416   5.024  12.083
  340   2HE   LYS  46           HE3      LYS  46  -5.924   5.990  12.107
  341   1HZ   LYS  46           HZ1      LYS  46  -7.940   6.019   9.951
  342   2HZ   LYS  46           HZ2      LYS  46  -7.833   7.168  11.130
  343   3HZ   LYS  46           HZ3      LYS  46  -6.626   6.975  10.019
  344    H    ASP  47           H        ASP  47  -4.184   3.104   8.043
  345    HA   ASP  47           HA       ASP  47  -6.428   3.019   6.223
  346   1HB   ASP  47           HB2      ASP  47  -6.048   5.485   7.945
  347   2HB   ASP  47           HB3      ASP  47  -6.671   5.585   6.308
  348    H    ALA  48           H        ALA  48  -4.441   2.088   5.338
  349    HA   ALA  48           HA       ALA  48  -3.801   4.085   3.360
  350   1HB   ALA  48           HB1      ALA  48  -1.360   3.472   3.212
  351   2HB   ALA  48           HB2      ALA  48  -1.819   4.442   4.624
  352   3HB   ALA  48           HB3      ALA  48  -1.516   2.716   4.815
  353    H    CYS  49           HN       CYS  49  -2.208   0.929   3.844
  354    HA   CYS  49           HA       CYS  49  -3.097   0.061   1.235
  355   1HB   CYS  49           HB2      CYS  49  -1.971  -1.693   3.394
  356   2HB   CYS  49           HB3      CYS  49  -1.860  -1.913   1.657
  357    H    LYS  50           H        LYS  50  -3.778  -1.136   4.543
  358    HA   LYS  50           HA       LYS  50  -5.769  -2.982   3.512
  359   1HB   LYS  50           HB2      LYS  50  -3.995  -3.235   5.465
  360   2HB   LYS  50           HB3      LYS  50  -5.210  -2.406   6.412
  361   1HG   LYS  50           HG2      LYS  50  -6.814  -4.349   5.391
  362   2HG   LYS  50           HG3      LYS  50  -5.262  -5.108   5.050
  363   1HD   LYS  50           HD2      LYS  50  -5.645  -5.988   7.134
  364   2HD   LYS  50           HD3      LYS  50  -4.737  -4.555   7.604
  365   1HE   LYS  50           HE2      LYS  50  -7.766  -5.009   7.641
  366   2HE   LYS  50           HE3      LYS  50  -6.704  -4.784   9.037
  367   1HZ   LYS  50           HZ1      LYS  50  -7.342  -2.699   7.024
  368   2HZ   LYS  50           HZ2      LYS  50  -7.961  -2.795   8.541
  369   3HZ   LYS  50           HZ3      LYS  50  -6.373  -2.487   8.321
  370    H    THR  51           H        THR  51  -6.552  -0.363   2.998
  371    HA   THR  51           HA       THR  51  -9.137  -0.361   4.370
  372    HB   THR  51           HB       THR  51  -7.575   1.377   5.438
  373    HG1  THR  51           HG1      THR  51  -9.310   2.641   5.867
  374   1HG2  THR  51          HG21      THR  51  -8.512   3.016   3.025
  375   2HG2  THR  51          HG22      THR  51  -7.718   3.649   4.454
  376   3HG2  THR  51          HG23      THR  51  -6.817   2.579   3.377
  377    H    CYS  52           HN       CYS  52  -7.126   1.202   1.834
  378    HA   CYS  52           HA       CYS  52  -9.055   1.733  -0.088
  379   1HB   CYS  52           HB2      CYS  52  -6.164   1.419   0.070
  380   2HB   CYS  52           HB3      CYS  52  -6.766   0.601  -1.358
  381    H    HIS  53           HN       HIS  53  -7.183  -1.313   0.311
  382    HA   HIS  53           HA       HIS  53  -8.230  -2.481  -1.986
  383   1HB   HIS  53           HB2      HIS  53  -7.255  -3.906   0.500
  384   2HB   HIS  53           HB3      HIS  53  -7.516  -4.642  -1.085
  385    HD1  HIS  53           HND      HIS  53  -4.709  -4.906   0.034
  386    HD2  HIS  53           HD       HIS  53  -5.976  -1.828  -2.553
  387    HE1  HIS  53           HE       HIS  53  -2.672  -4.024  -1.181
  388    H    LYS  54           H        LYS  54  -9.852  -2.189   1.101
  389    HA   LYS  54           HA       LYS  54 -11.406  -4.434   1.373
  390   1HB   LYS  54           HB2      LYS  54 -12.094  -1.554   1.879
  391   2HB   LYS  54           HB3      LYS  54 -13.163  -2.891   2.327
  392   1HG   LYS  54           HG2      LYS  54 -11.610  -3.848   3.851
  393   2HG   LYS  54           HG3      LYS  54 -10.257  -2.935   3.171
  394   1HD   LYS  54           HD2      LYS  54 -10.743  -1.916   5.224
  395   2HD   LYS  54           HD3      LYS  54 -11.272  -0.836   3.918
  396   1HE   LYS  54           HE2      LYS  54 -13.636  -1.612   4.272
  397   2HE   LYS  54           HE3      LYS  54 -13.077  -2.521   5.689
  398   1HZ   LYS  54           HZ1      LYS  54 -12.853   0.400   5.288
  399   2HZ   LYS  54           HZ2      LYS  54 -13.923  -0.352   6.284
  400   3HZ   LYS  54           HZ3      LYS  54 -12.310  -0.404   6.610
  401    H    SER  55           H        SER  55 -12.285  -1.551  -0.591
  402    HA   SER  55           HA       SER  55 -14.702  -2.828  -1.595
  403   1HB   SER  55           HB2      SER  55 -13.436  -0.201  -2.432
  404   2HB   SER  55           HB3      SER  55 -15.131  -0.702  -2.599
  405    HG   SER  55           HG       SER  55 -14.802   0.638  -0.749
  406    H    ASN  56           H        ASN  56 -11.490  -3.139  -2.546
  407    HA   ASN  56           HA       ASN  56 -12.024  -3.077  -5.485
  408   1HB   ASN  56           HB2      ASN  56  -9.456  -2.920  -3.859
  409   2HB   ASN  56           HB3      ASN  56  -9.519  -3.143  -5.605
  410   1HD2  ASN  56          HD21      ASN  56 -10.159   0.596  -4.143
  411   2HD2  ASN  56          HD22      ASN  56  -9.915  -0.699  -3.002
  412    H    ASN  57           H        ASN  57 -10.521  -5.117  -2.892
  413    HA   ASN  57           HA       ASN  57 -11.352  -7.514  -4.307
  414   1HB   ASN  57           HB2      ASN  57  -9.091  -6.977  -5.339
  415   2HB   ASN  57           HB3      ASN  57  -8.377  -7.087  -3.721
  416   1HD2  ASN  57          HD21      ASN  57  -7.751 -10.448  -4.979
  417   2HD2  ASN  57          HD22      ASN  57  -7.003  -8.875  -4.964
  418    H    GLY  58           H        GLY  58 -10.830  -9.444  -2.800
  419   1HA   GLY  58           HA2      GLY  58 -11.258  -8.534   0.043
  420   2HA   GLY  58           HA3      GLY  58 -11.955  -9.944  -0.734
  421    HA   PRO  59           HA       PRO  59  -7.567 -11.315   0.647
  422   1HB   PRO  59           HB2      PRO  59  -5.892  -9.527   1.821
  423   2HB   PRO  59           HB3      PRO  59  -5.911  -9.775   0.050
  424   1HG   PRO  59           HG2      PRO  59  -7.227  -7.556   1.620
  425   2HG   PRO  59           HG3      PRO  59  -6.301  -7.438   0.098
  426   1HD   PRO  59           HD2      PRO  59  -9.065  -7.547   0.277
  427   2HD   PRO  59           HD3      PRO  59  -8.150  -8.092  -1.169
  428    H    THR  60           H        THR  60  -8.470 -12.367   2.431
  429    HA   THR  60           HA       THR  60 -10.408 -10.866   4.025
  430    HB   THR  60           HB       THR  60 -10.742 -13.303   4.874
  431    HG1  THR  60           HG1      THR  60  -9.737 -14.586   2.882
  432   1HG2  THR  60          HG21      THR  60 -11.063 -12.774   1.886
  433   2HG2  THR  60          HG22      THR  60 -11.947 -13.976   2.847
  434   3HG2  THR  60          HG23      THR  60 -12.189 -12.248   3.151
  435    H    LYS  61           H        LYS  61  -7.813 -13.145   4.624
  436    HA   LYS  61           HA       LYS  61  -7.342 -12.064   7.355
  437   1HB   LYS  61           HB2      LYS  61  -6.202 -14.571   6.039
  438   2HB   LYS  61           HB3      LYS  61  -6.082 -14.081   7.744
  439   1HG   LYS  61           HG2      LYS  61  -8.638 -14.087   7.792
  440   2HG   LYS  61           HG3      LYS  61  -8.601 -14.782   6.161
  441   1HD   LYS  61           HD2      LYS  61  -7.244 -16.699   7.051
  442   2HD   LYS  61           HD3      LYS  61  -7.459 -16.030   8.687
  443   1HE   LYS  61           HE2      LYS  61  -9.969 -16.143   8.343
  444   2HE   LYS  61           HE3      LYS  61  -9.692 -16.896   6.765
  445   1HZ   LYS  61           HZ1      LYS  61  -8.916 -18.030   9.371
  446   2HZ   LYS  61           HZ2      LYS  61 -10.168 -18.519   8.428
  447   3HZ   LYS  61           HZ3      LYS  61  -8.624 -18.729   7.907
  448    H    CYS  62           HN       CYS  62  -4.844 -13.376   5.215
  449    HA   CYS  62           HA       CYS  62  -3.405 -10.812   5.218
  450   1HB   CYS  62           HB2      CYS  62  -1.997 -13.376   5.960
  451   2HB   CYS  62           HB3      CYS  62  -1.440 -11.697   6.142
  452    H    GLY  63           H        GLY  63  -0.978 -12.032   4.186
  453   1HA   GLY  63           HA2      GLY  63  -0.085 -13.188   2.404
  454   2HA   GLY  63           HA3      GLY  63  -1.694 -13.760   1.950
  455    H    GLY  64           H        GLY  64  -3.003 -11.327   1.692
  456   1HA   GLY  64           HA2      GLY  64  -2.914 -10.423  -0.812
  457   2HA   GLY  64           HA3      GLY  64  -3.231  -9.343   0.565
  458    H    CYS  65           HN       CYS  65  -0.747  -9.181   1.727
  459    HA   CYS  65           HA       CYS  65   0.771  -7.568  -0.295
  460   1HB   CYS  65           HB2      CYS  65   0.391  -6.999   2.621
  461   2HB   CYS  65           HB3      CYS  65   1.054  -5.910   1.398
  462    H    HIS  66           HN       HIS  66   1.106  -9.116   2.958
  463    HA   HIS  66           HA       HIS  66   3.985  -9.250   2.856
  464   1HB   HIS  66           HB2      HIS  66   2.030 -10.944   4.470
  465   2HB   HIS  66           HB3      HIS  66   3.768 -10.900   4.655
  466    HD1  HIS  66           HND      HIS  66   4.842  -8.625   5.679
  467    HD2  HIS  66           HD       HIS  66   0.634  -8.914   5.612
  468    HE1  HIS  66           HE       HIS  66   3.883  -6.810   7.253
  469    H    ILE  67           H        ILE  67   5.010 -10.456   1.231
  470    HA   ILE  67           HA       ILE  67   3.685 -12.803   0.090
  471    HB   ILE  67           HB       ILE  67   6.560 -11.906  -0.262
  472   1HG1  ILE  67          HG12      ILE  67   5.207 -10.003  -0.863
  473   2HG1  ILE  67          HG13      ILE  67   5.804 -10.778  -2.319
  474   1HG2  ILE  67          HG21      ILE  67   4.718 -13.671  -1.942
  475   2HG2  ILE  67          HG22      ILE  67   6.321 -13.099  -2.446
  476   3HG2  ILE  67          HG23      ILE  67   6.165 -14.184  -1.062
  477   1HD1  ILE  67          HD11      ILE  67   2.971 -11.022  -1.204
  478   2HD1  ILE  67          HD12      ILE  67   3.490 -10.064  -2.593
  479   3HD1  ILE  67          HD13      ILE  67   3.566 -11.830  -2.674
  480    H    LYS  68           H        LYS  68   3.270 -13.796   2.276
  481    HA   LYS  68           HA       LYS  68   5.106 -15.925   2.750
  482   1HB   LYS  68           HB2      LYS  68   6.166 -14.168   4.143
  483   2HB   LYS  68           HB3      LYS  68   4.586 -13.753   4.823
  484   1HG   LYS  68           HG2      LYS  68   5.780 -14.915   6.449
  485   2HG   LYS  68           HG3      LYS  68   4.492 -15.972   5.961
  486   1HD   LYS  68           HD2      LYS  68   7.321 -16.100   4.787
  487   2HD   LYS  68           HD3      LYS  68   6.966 -16.834   6.347
  488   1HE   LYS  68           HE2      LYS  68   5.981 -17.711   3.610
  489   2HE   LYS  68           HE3      LYS  68   6.929 -18.606   4.792
  490   1HZ   LYS  68           HZ1      LYS  68   4.101 -17.848   4.958
  491   2HZ   LYS  68           HZ2      LYS  68   4.686 -19.356   4.804
  492   3HZ   LYS  68           HZ3      LYS  68   4.908 -18.538   6.225
  493    HHA  HEC1030           HCM      HEC  30   8.300   7.002  -1.818
  494    HHB  HEC1030           HDM      HEC  30   6.745  10.551  -6.873
  495    HHC  HEC1030           HAM      HEC  30   1.335   7.135  -7.472
  496    HHD  HEC1030           HBM      HEC  30   2.458   4.637  -1.730
  497   1HMA  HEC1030          HM81      HEC  30  10.191  10.440  -5.358
  498   2HMA  HEC1030          HM82      HEC  30   9.022  10.560  -6.667
  499   3HMA  HEC1030          HM83      HEC  30   8.869  11.622  -5.244
  500   1HAA  HEC1030          HP71      HEC  30   9.777   8.700  -2.020
  501   2HAA  HEC1030          HP72      HEC  30  10.386   9.868  -3.169
  502   1HBA  HEC1030          HP73      HEC  30  11.113   8.021  -4.651
  503   2HBA  HEC1030          HP74      HEC  30  10.490   6.846  -3.481
  504   1HMB  HEC1030          HM11      HEC  30   6.031  10.913  -8.854
  505   2HMB  HEC1030          HM12      HEC  30   4.904  10.285 -10.031
  506   3HMB  HEC1030          HM13      HEC  30   4.394  11.595  -8.932
  507    HAB  HEC1030          HT2A      HEC  30   1.328   8.621  -8.975
  508   1HBB  HEC1030          HT21      HEC  30   2.960   9.031 -10.888
  509   2HBB  HEC1030          HT22      HEC  30   1.365   9.780 -10.963
  510   3HBB  HEC1030          HT23      HEC  30   2.752  10.767 -10.517
  511   1HMC  HEC1030          HM31      HEC  30  -0.177   5.120  -6.978
  512   2HMC  HEC1030          HM32      HEC  30  -1.189   5.128  -5.527
  513   3HMC  HEC1030          HM33      HEC  30  -0.759   6.659  -6.291
  514    HAC  HEC1030          HT4A      HEC  30   0.419   4.547  -2.034
  515   1HBC  HEC1030          HT41      HEC  30   0.421   2.605  -3.692
  516   2HBC  HEC1030          HT42      HEC  30  -0.967   2.765  -2.606
  517   3HBC  HEC1030          HT43      HEC  30  -1.116   3.270  -4.284
  518   1HMD  HEC1030          HM51      HEC  30   4.460   3.226  -0.081
  519   2HMD  HEC1030          HM52      HEC  30   4.827   4.469   1.142
  520   3HMD  HEC1030          HM53      HEC  30   3.284   4.490   0.321
  521   1HAD  HEC1030          HP61      HEC  30   6.665   5.666   1.107
  522   2HAD  HEC1030          HP62      HEC  30   7.779   6.588   0.175
  523   1HBD  HEC1030          HP63      HEC  30   8.742   4.448  -0.723
  524   2HBD  HEC1030          HP64      HEC  30   7.692   3.587   0.429
  525    HHA  HEC1053           HCM      HEC  53  -3.765  -5.148  -6.259
  526    HHB  HEC1053           HDM      HEC  53   0.528  -4.193  -1.573
  527    HHC  HEC1053           HAM      HEC  53  -2.173   1.467  -0.438
  528    HHD  HEC1053           HBM      HEC  53  -6.424   0.511  -5.047
  529   1HMA  HEC1053          HM81      HEC  53   1.117  -6.439  -4.148
  530   2HMA  HEC1053          HM82      HEC  53   0.867  -6.196  -2.411
  531   3HMA  HEC1053          HM83      HEC  53  -0.038  -7.453  -3.256
  532   1HAA  HEC1053          HP71      HEC  53  -1.309  -7.740  -5.193
  533   2HAA  HEC1053          HP72      HEC  53  -2.375  -6.878  -6.280
  534   1HBA  HEC1053          HP73      HEC  53  -3.969  -6.778  -4.142
  535   2HBA  HEC1053          HP74      HEC  53  -2.987  -8.140  -3.606
  536   1HMB  HEC1053          HM11      HEC  53   1.921  -3.012  -0.169
  537   2HMB  HEC1053          HM12      HEC  53   1.571  -1.945   1.195
  538   3HMB  HEC1053          HM13      HEC  53   0.592  -3.392   0.934
  539    HAB  HEC1053          HT2A      HEC  53  -0.648   1.253   0.913
  540   1HBB  HEC1053          HT21      HEC  53   1.516   1.368  -0.251
  541   2HBB  HEC1053          HT22      HEC  53   1.621   1.689   1.483
  542   3HBB  HEC1053          HT23      HEC  53   2.166   0.137   0.838
  543   1HMC  HEC1053          HM31      HEC  53  -2.946   3.570  -1.302
  544   2HMC  HEC1053          HM32      HEC  53  -4.589   4.082  -1.676
  545   3HMC  HEC1053          HM33      HEC  53  -4.290   3.093  -0.235
  546    HAC  HEC1053          HT4A      HEC  53  -7.285   1.788  -3.477
  547   1HBC  HEC1053          HT41      HEC  53  -6.463   3.403  -5.018
  548   2HBC  HEC1053          HT42      HEC  53  -7.503   4.248  -3.871
  549   3HBC  HEC1053          HT43      HEC  53  -5.741   4.390  -3.717
  550   1HMD  HEC1053          HM51      HEC  53  -6.670  -0.439  -7.763
  551   2HMD  HEC1053          HM52      HEC  53  -7.671  -1.895  -7.675
  552   3HMD  HEC1053          HM53      HEC  53  -7.805  -0.666  -6.417
  553   1HAD  HEC1053          HP61      HEC  53  -7.002  -3.999  -7.689
  554   2HAD  HEC1053          HP62      HEC  53  -5.666  -5.065  -7.367
  555   1HBD  HEC1053          HP63      HEC  53  -4.257  -3.931  -8.984
  556   2HBD  HEC1053          HP64      HEC  53  -5.448  -2.640  -9.185
  557    HHA  HEC1066           HCM      HEC  66   4.160  -4.077   9.205
  558    HHB  HEC1066           HDM      HEC  66   0.948  -9.209  11.212
  559    HHC  HEC1066           HAM      HEC  66  -2.704  -8.951   5.997
  560    HHD  HEC1066           HBM      HEC  66   0.641  -4.000   3.834
  561   1HMA  HEC1066          HM81      HEC  66   2.973  -7.011  13.403
  562   2HMA  HEC1066          HM82      HEC  66   2.086  -8.448  12.917
  563   3HMA  HEC1066          HM83      HEC  66   3.850  -8.349  12.645
  564   1HAA  HEC1066          HP71      HEC  66   4.729  -5.717  12.502
  565   2HAA  HEC1066          HP72      HEC  66   4.931  -4.579  11.181
  566   1HBA  HEC1066          HP73      HEC  66   5.945  -6.392   9.800
  567   2HBA  HEC1066          HP74      HEC  66   5.767  -7.494  11.174
  568   1HMB  HEC1066          HM11      HEC  66  -1.350 -10.562  11.464
  569   2HMB  HEC1066          HM12      HEC  66  -1.526 -11.873  10.277
  570   3HMB  HEC1066          HM13      HEC  66   0.084 -11.359  10.766
  571    HAB  HEC1066          HT2A      HEC  66  -3.626 -10.259   7.395
  572   1HBB  HEC1066          HT21      HEC  66  -4.209  -9.395   9.620
  573   2HBB  HEC1066          HT22      HEC  66  -5.003 -10.922   9.205
  574   3HBB  HEC1066          HT23      HEC  66  -3.647 -10.917  10.342
  575   1HMC  HEC1066          HM31      HEC  66  -4.023  -7.717   4.176
  576   2HMC  HEC1066          HM32      HEC  66  -3.154  -7.494   2.643
  577   3HMC  HEC1066          HM33      HEC  66  -2.729  -8.839   3.700
  578    HAC  HEC1066          HT4A      HEC  66  -1.046  -4.182   2.612
  579   1HBC  HEC1066          HT41      HEC  66  -3.314  -3.898   3.446
  580   2HBC  HEC1066          HT42      HEC  66  -3.226  -3.931   1.685
  581   3HBC  HEC1066          HT43      HEC  66  -3.840  -5.342   2.568
  582   1HMD  HEC1066          HM51      HEC  66   3.040  -1.291   4.834
  583   2HMD  HEC1066          HM52      HEC  66   3.629  -2.618   3.834
  584   3HMD  HEC1066          HM53      HEC  66   1.902  -2.191   3.833
  585   1HAD  HEC1066          HP61      HEC  66   4.319  -1.511   7.434
  586   2HAD  HEC1066          HP62      HEC  66   4.986  -2.108   5.952
  587   1HBD  HEC1066          HP63      HEC  66   6.741  -2.770   7.029
  588   2HBD  HEC1066          HP64      HEC  66   5.796  -4.087   7.703