NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type | subtype | subsubtype |
5905 | 1i5u | cing | 1-original | 1 | DYANA/DIANA | distance | NOE | simple |
4 VAL HN 4 VAL HA 3.90 # 2 558100.0 e 1 5541 HN 4 VAL HB 3.50 # 2 1189000.0 e 1 5580 HN 4 VAL QG1 4.90 # 1M 662600.0 e 1 5544 HN 4 VAL QG2 5.30 # 1M 421400.0 e 1 5543 HN 5 LYS+ HG2 5.40 # 5 97620.0 e 1 7882 HN 5 LYS+ HG3 4.80 # 5 181700.0 e 1 7883 HA 4 VAL HB 3.70 # 2 771200.0 e 1 5579 HA 4 VAL QG1 5.00 # 1M 552200.0 e 1 5571 HA 4 VAL QG2 4.90 # 1M 695800.0 e 1 6386 HA 5 LYS+ HA 4.50 # 2 231000.0 e 1 8288 HB 4 VAL QG1 4.90 # 1M 657700.0 e 1 5576 HB 4 VAL QG2 5.10 # 1M 540000.0 e 1 8094 QG1 5 LYS+ HA 5.40 # 5M 420100.0 e 1 8162 QG1 6 TYR HA 7.00 # w 5M 72320.0 e 1 9626 QG1 6 TYR QD 8.10 <# r 5M 202100.0*2e 1 8993 QG1 6 TYR QE 7.30 <# r 5M 442050.0*2e 1 8641 QG1 78 GLU- HN 6.10 # 5M 202300.0 e 1 8539 QG1 78 GLU- HB2 5.00 # 5M 626200.0 e 1 9645 QG1 78 GLU- HB3 5.20 # 5M 495200.0 e 1 9644 QG1 78 GLU- QG 8.00 # m w 5M 68100.0*2e 1 9648 QG2 5 LYS+ HA 5.70 # 5M 289200.0 e 1 7959 QG2 6 TYR QD 9.00 ># r w 5M 53500.0*2e 1 8994 QG2 6 TYR QE 8.70 ># r 5M 107350.0*2e 1 8995 QG2 78 GLU- HN 6.60 # 5M 121100.0 e 1 8887 QG2 78 GLU- HB2 6.00 # 5M 207900.0 e 1 9647 QG2 78 GLU- QG 8.00 # m w 5M 72150.0*2e 1 8890 5 LYS+ HN 5 LYS+ HA 3.20 # 2 1774000.0 e 1 7885 HN 5 LYS+ QB 4.50 # i 2 551000.0*2e 1 7886 HN 5 LYS+ HG2 4.60 # 1 168500.0 e 1 7348 HN 5 LYS+ HG3 4.90 # 1 125600.0 e 1 8095 HN 77 GLY HA1 3.80 # 4 428200.0 e 1 8662 HN 77 GLY HA2 3.60 # 4 618300.0 e 1 8661 HN 78 GLU- HN 4.70 # 4 119000.0 e 1 8990 HA 5 LYS+ QB 4.70 # m 2 844000.0*2e 1 7965 HA 5 LYS+ HG2 4.00 # 1 406100.0 e 1 7887 HA 5 LYS+ HG3 3.60 # 1 758000.0 e 1 7888 HA 6 TYR HA 4.70 # 2 179500.0 e 1 7286 HA 6 TYR QD 6.60 # r 5 251650.0*2e 1 9649 HA 6 TYR QE 7.30 # r 5 103200.0*2e 1 9650 QB 5 LYS+ HG2 4.60 # m 1 775500.0*2e 1 7962 QB 5 LYS+ HG3 4.60 # m 1 728500.0*2e 1 7963 QB 6 TYR QE 8.80 # mr 5 60425.0*4e 1 8291 QB 7 TYR QD 9.00 # mr 5 51025.0*4e 1 9523 QB 7 TYR QE 8.30 # mr 5 106125.0*4e 1 9522 QB 78 GLU- HN 7.00 # m 5 50250.0*2e 1 8989 HG2 7 TYR QE 7.30 # r 5 104150.0*2e 1 8293 HG3 7 TYR QE 7.60 # r 5 77450.0*2e 1 9047 6 TYR HN 6 TYR HA 3.90 # 2 564400.0 e 1 620 HN 6 TYR HB2 3.50 # 2 1040000.0 e 1 5628 HN 6 TYR HB3 3.60 # 2 891800.0 e 1 5620 HN 6 TYR QD 6.10 # r 1 344250.0*2e 1 5607 HN 6 TYR QE 7.00 # m w 1 30835.0*2e 1 8172 HN 78 GLU- HN 4.80 # 4 105800.0 e 1 9519 HA 6 TYR HB2 4.00 # 2 498200.0 e 1 5609 HA 6 TYR HB3 3.70 # 2 756200.0 e 1 5608 HA 6 TYR QD 4.40 # m 1 1150000.0*2e 1 5605 HA 6 TYR QE 5.70 # i 1 96150.0*2e 1 8173 HA 7 TYR HN 3.00 # 2 2585000.0 e 1 7342 HA 7 TYR QD 6.60 # r 5 238300.0*2e 1 9751 HA 77 GLY HA2 6.00 # w 4 12820.0 e 1 8663 HA 78 GLU- HN 3.30 # 4 1003000.0 e 1 7264 HA 78 GLU- HB2 4.90 # 5 158400.0 e 1 9579 HA 78 GLU- HB3 4.70 # 5 206500.0 e 1 7943 HA 80 HIS HN 4.60 # 4 147100.0 e 1 7793 HA 80 HIS HA 4.80 # 4 109500.0 e 1 9400 HB2 6 TYR QD 5.50 # r 1 885500.0*2e 1 5604 HB2 6 TYR QE 7.30 # r 1 77550.0*2e 1 8169 HB2 7 TYR HN 4.30 ># 2 300200.0 e 1 6448 HB2 80 HIS HA 4.10 # 5 508300.0 e 1 7690 HB2 80 HIS HD2 3.70 # 5 945100.0 e 1 7703 HB3 6 TYR QD 5.70 # r 1 690000.0*2e 1 5603 HB3 6 TYR QE 7.20 # r 1 81700.0*2e 1 8168 HB3 7 TYR HN 3.70 <# 2 751700.0 e 1 6449 HB3 80 HIS HN 4.10 # 5 496800.0 e 1 9520 HB3 80 HIS HA 4.20 # 5 429500.0 e 1 9082 HB3 80 HIS HD2 3.70 # 5 882800.0 e 1 9081 QD 6 TYR QE 7.60 # rr 1 826750.0*4e 1 8166 QD 7 TYR HN 7.00 # r 5 150450.0*2e 1 9705 QD 78 GLU- HN 6.40 # r 5 325550.0*2e 1 8869 QD 78 GLU- HB2 5.90 # r 5 694000.0*2e 1 8101 QD 78 GLU- HB3 5.80 # r 5 815000.0*2e 1 8100 QD 80 HIS HA 6.20 # r 5 439700.0*2e 1 9401 QD 81 PRO QG 8.00 # rm 5 150075.0*4e 1 9521 QE 7 TYR HN 7.80 # r 5 61150.0*2e 1 8176 QE 78 GLU- HN 7.50 # r 5 79700.0*2e 1 8290 QE 78 GLU- HA 7.70 # r 5 68850.0*2e 1 8871 QE 78 GLU- HB2 6.10 # r 5 498150.0*2e 1 8872 QE 78 GLU- HB3 5.90 # r 5 667000.0*2e 1 8873 QE 78 GLU- QG 8.60 # rm 5 74725.0*4e 1 8885 QE 80 HIS HA 7.30 # r 5 102600.0*2e 1 8610 QE 81 PRO QG 7.90 # rm 5 167900.0*4e 1 9358 7 TYR HN 7 TYR HA 3.80 # 2 698200.0 e 1 5354 HN 7 TYR HB2 4.20 # 2 391600.0 e 1 5353 HN 7 TYR HB3 3.60 # 2 869500.0 e 1 5352 HN 7 TYR QD 6.20 # r 1 328050.0*2e 1 8096 HN 7 TYR QE 6.70 # m 1 49640.0*2e 1 5625 HN 8 THR HN 4.80 # 2 155700.0 e 1 8188 HN 29 VAL QG2 6.40 # 5M 152000.0 e 1 8541 HN 78 GLU- HN 4.30 # 4 205100.0 e 1 8667 HN 79 LEU HA 3.60 # 4 578000.0 e 1 7266 HN 80 HIS HN 3.60 # 4 619100.0 e 1 8670 HN 80 HIS HA 4.10 # 4 268500.0 e 1 9573 HN 80 HIS HB2 5.40 # 5 92590.0 e 1 9459 HN 80 HIS HB3 4.90 # 5 172200.0 e 1 9458 HN 80 HIS HD2 6.00 # w 5 37410.0 e 1 9457 HA 7 TYR HB2 3.60 # 2 936800.0 e 1 5636 HA 7 TYR HB3 3.80 # 2 643500.0 e 1 5632 HA 7 TYR QD 5.40 # m 1 238200.0*2e 1 7492 HA 7 TYR QE 6.30 # i 1 49365.0*2e 1 7505 HA 8 THR HN 3.00 # 2 3108000.0 e 1 5299 HA 8 THR QG2 7.00 # w 5M 13480.0 e 1 6387 HB2 7 TYR QD 5.60 # r 1 810000.0*2e 1 7502 HB2 7 TYR QE 7.10 # r 1 95100.0*2e 1 7504 HB2 8 THR HN 3.70 # 2 784800.0 e 1 7688 HB2 11 GLU- HN 5.90 # 3 34120.0 e 1 9407 HB2 11 GLU- HB2 5.10 # 5 127200.0 e 1 9408 HB2 12 ILE HN 4.40 # 5 301700.0 e 1 6486 HB2 12 ILE QG2 6.40 # 5M 144100.0 e 1 8348 HB2 12 ILE QG1 5.50 # m 5 275850.0*2e 1 9721 HB2 12 ILE QD1 5.40 # 5M 408000.0 e 1 9084 HB2 22 TRP HZ3 4.50 # 5 281800.0 e 1 9087 HB2 29 VAL QG2 6.50 # 5M 136200.0 e 1 8081 HB3 7 TYR QD 5.50 # r 1 887000.0*2e 1 7490 HB3 7 TYR QE 7.10 # r 1 95950.0*2e 1 7503 HB3 8 THR HN 4.00 # 2 510300.0 e 1 8187 HB3 12 ILE HN 4.70 # 5 215100.0 e 1 9294 HB3 12 ILE QG2 6.80 # 5M 99250.0 e 1 9643 HB3 12 ILE QG1 5.20 # m 5 421000.0*2e 1 9722 HB3 12 ILE QD1 5.80 # 5M 279600.0 e 1 9085 HB3 22 TRP HZ3 4.70 # 5 229200.0 e 1 7496 HB3 29 VAL QG1 7.00 # w 5M 24400.0 e 1 9145 HB3 29 VAL QG2 5.80 # 5M 278300.0 e 1 9143 QD 7 TYR QE 7.50 # rr 1 996750.0*4e 1 7501 QD 8 THR HN 7.20 # r 5 122600.0*2e 1 7710 QD 22 TRP HZ3 6.40 # r 5 318650.0*2r 1 8624 QD 22 TRP HH2 6.60 # r 5 233450.0*2e 1 8022 QD 29 VAL HB 6.80 # r 5 192600.0*2e 1 8484 QD 29 VAL QG1 7.80 # r 5M 280250.0*2e 1 8485 QD 29 VAL QG2 7.20 # r 5M 549500.0*2e 1 7483 QD 76 ILE HG12 7.70 <# r 5 66100.0*2e 1 9241 QD 76 ILE HG13 8.00 ># r w 5 12365.0*2e 1 9242 QD 76 ILE QD1 8.70 # r 5M 113200.0*2e 1 7479 QD 77 GLY HA2 7.40 # r 5 95300.0*2e 1 8665 QD 78 GLU- HN 7.10 # r 5 126250.0*2e 1 8666 QE 11 GLU- QG 9.00 # rmw 5 27975.0*4e 1 8359 QE 22 TRP HZ3 7.00 # r 5 140050.0*2e 1 9598 QE 29 VAL HB 7.60 # r 5 74650.0*2e 1 8199 QE 29 VAL QG1 9.00 # r w 5M 66700.0*2e 1 7482 QE 29 VAL QG2 8.90 # r 5M 92950.0*2e 1 7484 QE 76 ILE HN 8.00 # r w 5 11275.0*2e 1 9502 QE 76 ILE HB 6.50 # r 5 272700.0*2e 1 9525 QE 76 ILE QG2 8.40 # r 5M 152650.0*2e 1 9524 QE 76 ILE HG12 6.20 # r 5 409050.0*2e 1 7485 QE 76 ILE HG13 6.90 # r 5 171950.0*2e 1 8074 QE 76 ILE QD1 7.30 # r 5M 437850.0*2e 1 7480 QE 77 GLY HA1 6.60 # r 5 262000.0*2e 1 7340 QE 77 GLY HA2 6.00 # r 5 602000.0*2e 1 6716 QE 78 GLU- HN 7.10 # r 5 139100.0*2e 1 8077 8 THR HN 8 THR HA 3.90 # 2 574800.0 e 1 5638 HN 8 THR HB 4.60 # 2 218300.0 e 1 8083 HN 8 THR QG2 4.00 # 1M 2158000.0 e 1 5639 HN 9 LEU HN 5.30 # 2 89700.0 e 1 8402 HN 11 GLU- HN 4.40 # 3 218400.0 e 1 6454 HN 11 GLU- HB2 3.50 <# 3 844400.0 e 1 6455 HN 11 GLU- HB3 4.10 ># 3 311000.0 e 1 9151 HN 12 ILE HN 5.30 # 3 65470.0 e 1 6452 HN 80 HIS HD2 6.00 # w 5 32330.0 e 1 8296 HA 8 THR QG2 4.30 # 1M 1390000.0 e 1 5643 HA 9 LEU HN 3.10 # 2 2412000.0 e 1 5295 HA 10 GLU- HN 4.50 # 3 178400.0 e 1 8084 HA 11 GLU- HN 5.50 # 3 53420.0 e 1 8190 HA 80 HIS HN 3.60 # 4 637500.0 e 1 9581 HA 80 HIS HB2 4.10 # 5 528000.0 e 1 8298 HA 80 HIS HB3 4.00 # 5 552500.0 e 1 6451 HA 80 HIS HD2 5.10 # 5 126300.0 e 1 8295 HB 8 THR QG2 3.90 # 1M 2800000.0 e 1 6388 HB 9 LEU HN 3.20 # 2 1772000.0 e 1 5029 HB 10 GLU- HN 3.40 # 3 1052000.0 e 1 7975 HB 11 GLU- HN 4.50 # 3 179600.0 e 1 8189 HB 80 HIS HB3 4.90 # 5 177600.0 e 1 8297 QG2 9 LEU HN 5.20 # 5M 520400.0 e 1 6432 QG2 10 GLU- HN 6.30 # 5M 167900.0 e 1 8102 QG2 11 GLU- HN 6.90 # 5M 93590.0 e 1 8191 QG2 80 HIS HN 6.20 # 5M 182200.0 e 1 7796 QG2 80 HIS HB2 5.20 # 5M 524900.0 e 1 8254 QG2 80 HIS HB3 5.30 # 5M 464900.0 e 1 8252 QG2 80 HIS HD2 5.00 # 5M 686900.0 e 1 8248 9 LEU HN 9 LEU HA 3.60 # 2 996900.0 e 1 5294 HN 9 LEU HB2 3.40 # 2 1438000.0 e 1 5652 HN 9 LEU HB3 3.40 # 2 1296000.0 e 1 5032 HN 9 LEU HG 4.40 # 1 245200.0 e 1 8193 HN 9 LEU QD1 5.60 # 1M 302900.0 e 1 6998 HN 9 LEU QD2 5.50 # 1M 342400.0 e 1 8317 HN 10 GLU- HN 3.60 # 2 980300.0 e 1 5028 HN 10 GLU- HB2 6.00 # 2 44040.0 e 1 8647 HN 10 GLU- HB3 6.00 # w 2 28030.0 e 1 9090 HN 11 GLU- HN 4.90 # 3 110500.0 e 1 8645 HN 12 ILE HB 6.00 # 3 33200.0 e 1 9240 HN 79 LEU QD1 4.90 # 5M 702400.0 e 1 6433 HN 80 HIS HB2 5.60 # 5 78360.0 e 1 9135 HN 80 HIS HB3 5.80 # 5 63050.0 e 1 9134 HN 83 ASP- HB2 4.70 # 5 213700.0 e 1 7617 HN 83 ASP- HB3 4.80 # 5 194200.0 e 1 7618 HA 9 LEU HB2 3.50 # 2 1133000.0 e 1 5650 HA 9 LEU HB3 3.80 # 2 644600.0 e 1 5658 HA 9 LEU QD1 5.00 # 1M 605700.0 e 1 6439 HA 9 LEU QD2 4.50 # 1M 1141000.0 e 1 8310 HA 10 GLU- HN 4.50 # 2 240400.0 e 1 7884 HA 11 GLU- HN 5.60 # 3 48620.0 e 1 9168 HA 12 ILE HN 3.70 # 3 572700.0 e 1 6459 HA 12 ILE HB 3.10 # 3 1811000.0 e 1 6430 HA 12 ILE QG2 5.30 # 5M 447800.0 e 1 6485 HA 12 ILE QG1 5.10 # m 5 492800.0*2e 1 9720 HA 12 ILE QD1 7.00 # w 5M 32830.0 e 1 9390 HA 13 GLN HN 4.50 # 3 192600.0 e 1 8802 HA 79 LEU QD1 5.10 # 5M 574100.0 e 1 8313 HB2 9 LEU HG 3.70 # 1 676700.0 e 1 8326 HB2 9 LEU QD1 4.30 # 1M 1561000.0 e 1 6999 HB2 9 LEU QD2 4.60 # 1M 1033000.0 e 1 8320 HB2 10 GLU- HN 4.10 ># 2 399200.0 e 1 6405 HB2 79 LEU QD1 5.00 # 5M 687600.0 e 1 8315 HB2 83 ASP- HB2 3.50 # 5 1284000.0 e 1 9532 HB2 83 ASP- HB3 4.90 # 5 173400.0 e 1 9755 HB3 9 LEU QD1 4.60 # 1M 936200.0 e 1 6440 HB3 9 LEU QD2 4.40 # 1M 1206000.0 e 1 8319 HB3 10 GLU- HN 3.50 <# 2 1025000.0 e 1 5290 HB3 79 LEU QD1 5.50 # 5M 352800.0 e 1 9089 HB3 83 ASP- HB2 4.10 # 5 463400.0 e 1 9531 HG 9 LEU QD1 4.30 # 1M 1508000.0 e 1 8489 HG 9 LEU QD2 4.50 # 1M 1125000.0 e 1 9652 HG 10 GLU- HN 4.40 # 5 341800.0 e 1 5665 HG 79 LEU QD1 4.70 # 5M 925600.0 e 1 9582 QD1 10 GLU- HN 6.00 # 5M 211700.0 e 1 8301 QD1 13 GLN HN 7.00 # w 5M 80850.0 e 1 9404 QD1 83 ASP- HB2 6.00 # 5M 209200.0 e 1 8306 QD1 83 ASP- HB3 6.90 # 5M 94530.0 e 1 6786 QD2 13 GLN HN 6.30 # 5M 160200.0 e 1 9403 10 GLU- HN 10 GLU- HA 3.40 # 2 1361000.0 e 1 5287 HN 10 GLU- HB2 3.20 # 2 1895000.0 e 1 5292 HN 10 GLU- HB3 3.40 # 2 1327000.0 e 1 6399 HN 10 GLU- HG2 4.70 # 1 160300.0 e 1 5670 HN 10 GLU- HG3 4.50 # 1 199600.0 e 1 5669 HN 11 GLU- HN 3.60 # 2 920200.0 e 1 9171 HN 12 ILE HN 4.70 # 3 141100.0 e 1 9174 HA 10 GLU- HB2 3.20 # 2 2001000.0 e 1 6401 HA 10 GLU- HB3 3.50 # 2 1180000.0 e 1 6400 HA 10 GLU- HG2 3.80 # 1 556500.0 e 1 6395 HA 10 GLU- HG3 3.30 # 1 1210000.0 e 1 6396 HA 11 GLU- HN 4.20 # 2 342800.0 e 1 9031 HA 11 GLU- HA 5.40 # 2 78010.0 e 1 6416 HA 12 ILE HN 5.20 # 3 79150.0 e 1 8740 HA 13 GLN HN 3.90 # 3 459500.0 e 1 6389 HA 13 GLN HB2 3.80 # 3 469600.0 e 1 7192 HA 13 GLN QG 6.00 # m 5 157150.0*2e 1 6393 HB2 10 GLU- HG2 3.00 # 1 2251000.0 e 1 8044 HB2 10 GLU- HG3 3.50 # 1 874700.0 e 1 6402 HB2 11 GLU- HN 3.80 # 2 647800.0 e 1 8337 HB2 11 GLU- HA 5.80 # 2 52650.0 e 1 5672 HB3 10 GLU- HG2 3.00 # 1 2422000.0 e 1 8045 HB3 10 GLU- HG3 3.50 # 1 975300.0 e 1 7973 HB3 11 GLU- HN 3.50 # 2 1152000.0 e 1 9170 HB3 11 GLU- HA 5.70 # 2 60390.0 e 1 5671 HG2 11 GLU- HA 5.50 ># 5 87550.0 e 1 9298 HG3 11 GLU- HA 3.70 <# 5 856600.0 e 1 5673 11 GLU- HN 11 GLU- HA 3.50 # 2 1145000.0 e 1 5706 HN 11 GLU- HB2 3.30 # 2 1733000.0 e 1 5704 HN 11 GLU- HB3 3.30 # 2 1536000.0 e 1 5705 HN 11 GLU- QG 6.00 # m 1 106900.0*2e 1 8333 HN 12 ILE HN 3.30 # 2 1617000.0 e 1 6566 HN 12 ILE HA 5.90 # 2 47340.0 e 1 8344 HN 12 ILE HB 5.40 # 2 81260.0 e 1 8865 HN 12 ILE QG2 7.00 # w 5M 70460.0 e 1 9716 HN 12 ILE QG1 7.00 # m 5 51750.0*2e 1 9715 HN 13 GLN HN 4.60 # 3 168100.0 e 1 8742 HA 11 GLU- HB2 3.70 # 2 830400.0 e 1 5709 HA 11 GLU- HB3 3.30 # 2 1563000.0 e 1 5703 HA 11 GLU- QG 5.40 # i 1 130900.0*2e 1 8341 HA 12 ILE HN 3.90 # 2 550800.0 e 1 5283 HA 12 ILE HB 6.00 # w 2 9827.0 e 1 8384 HA 13 GLN HN 4.40 # 3 201200.0 e 1 7193 HA 14 LYS+ HN 4.20 # 3 263800.0 e 1 8744 HA 14 LYS+ QG 4.80 # m 5 739500.0*2e 1 7977 HA 14 LYS+ QE 5.80 # m 5 193800.0*2e 1 9177 HB2 11 GLU- QG 4.40 # m 1 1103000.0*2e 1 8339 HB2 12 ILE HN 3.60 # 2 911000.0 e 1 6320 HB2 12 ILE HA 4.90 # 2 144500.0 e 1 9754 HB2 13 GLN HN 6.00 # 3 30650.0 e 1 7195 HB2 22 TRP HZ3 5.20 # 5 113600.0 e 1 7854 HB3 11 GLU- QG 4.20 # m 1 1516000.0*2e 1 8340 HB3 12 ILE HN 4.10 # 2 407600.0 e 1 6384 HB3 12 ILE HA 5.60 # 2 66410.0 e 1 8350 HB3 15 HIS HD2 4.80 # 5 192800.0 e 1 9575 HB3 22 TRP HZ3 4.50 # 5 277200.0 e 1 8383 QG 15 HIS HD2 5.30 # m 5 378200.0*2e 1 8357 QG 22 TRP HZ3 6.00 # m 5 149200.0*2e 1 1832 12 ILE HN 12 ILE HA 3.90 # 2 617400.0 e 1 5719 HN 12 ILE HB 3.20 # 2 1834000.0 e 1 5722 HN 12 ILE QG2 4.60 # 1M 950200.0 e 1 5712 HN 12 ILE QG1 4.70 # m 1 650500.0*2e 1 8353 HN 12 ILE QD1 5.00 # 1M 606000.0 e 1 6498 HN 13 GLN HN 3.30 # 2 1661000.0 e 1 5713 HN 14 LYS+ HN 5.00 # 3 92750.0 e 1 9290 HN 15 HIS HD2 4.80 # 5 179700.0 e 1 6481 HN 22 TRP HZ3 5.60 # 5 77720.0 e 1 7855 HA 12 ILE HB 3.80 # 2 720100.0 e 1 5721 HA 12 ILE QG2 4.90 # 1M 630700.0 e 1 5717 HA 12 ILE QG1 4.20 # i 1 791000.0*2e 1 8354 HA 12 ILE QD1 5.10 # 1M 489700.0 e 1 6497 HA 13 GLN HN 3.90 # 2 581900.0 e 1 9246 HA 14 LYS+ HN 4.40 # 3 203400.0 e 1 7713 HA 15 HIS HN 4.00 # 3 353500.0 e 1 7712 HA 15 HIS HB2 4.40 <# 3 215700.0 e 1 9034 HA 15 HIS HB3 5.60 ># 3 47920.0 e 1 9035 HA 15 HIS HD2 3.40 # 5 1504000.0 e 1 6426 HA 22 TRP HE3 3.40 # 5 1682000.0 e 1 9152 HA 22 TRP HZ3 4.30 # 5 373600.0 e 1 6483 HA 29 VAL QG1 7.00 # w 5M 81220.0 e 1 8352 HB 12 ILE QG2 3.90 # 1M 2575000.0 e 1 5720 HB 12 ILE QG1 4.00 # m 1 2326500.0*2e 1 9723 HB 12 ILE QD1 4.10 # 1M 1895000.0 e 1 6499 HB 13 GLN HN 3.30 # 2 1455000.0 e 1 9186 HB 13 GLN QG 6.20 # m 5 115700.0*2e 1 9223 HB 29 VAL QG1 7.00 # w 5M 56030.0 e 1 9161 QG2 12 ILE QD1 5.40 # m 1M 1296000.0 e 1 6500 QG2 13 GLN HN 6.30 # 5M 160100.0 e 1 5716 QG2 14 LYS+ HN 7.00 # w 5M 63070.0 e 1 7984 QG2 15 HIS HD2 6.40 # 5M 149300.0 e 1 9719 QG2 22 TRP HE3 4.50 # 5M 1174000.0 e 1 9153 QG2 22 TRP HZ3 7.00 # w 5M 0.0 e 1 9156 QG2 29 VAL QG1 6.20 ># m 5M 550300.0 e 1 9391 QG2 29 VAL QG2 5.20 <# m 5M 1904000.0 e 1 9679 QG1 12 ILE QD1 5.60 # m 1M 948500.0*2e 1 9185 QG1 13 GLN HN 5.10 # m 5 470100.0*2e 1 9714 QG1 14 LYS+ HN 7.00 # m w 5 32600.0*2e 1 9717 QG1 15 HIS HD2 5.50 # m 5 287350.0*2e 1 9602 QG1 22 TRP HE3 4.80 # m 5 836500.0*2e 1 9154 QG1 22 TRP HZ3 5.70 # m 5 214400.0*2e 1 9388 QG1 29 VAL QG1 6.10 <# m 5M 601500.0*2e 1 9682 QG1 29 VAL QG2 7.10 ># m 5M 199700.0*2e 1 9680 QD1 15 HIS HD2 6.00 # 5M 226700.0 e 1 9489 QD1 22 TRP HE3 5.30 # 5M 454300.0 e 1 9155 QD1 22 TRP HZ3 5.80 # 5M 259000.0 e 1 7513 QD1 29 VAL QG1 7.00 # m 5M 210700.0 e 1 9160 QD1 29 VAL QG2 7.60 # m 5M 120100.0 e 1 9231 13 GLN HN 13 GLN HA 3.50 # 2 1113000.0 e 1 5278 HN 13 GLN HB2 3.10 <# 2 2328000.0 e 1 5728 HN 13 GLN HB3 3.70 ># 2 828000.0 e 1 5744 HN 13 GLN QG 4.50 # m 1 924000.0*2e 1 5726 HN 14 LYS+ HN 3.60 # 2 977100.0 e 1 6506 HN 14 LYS+ QG 5.90 # m 5 164050.0*2e 1 9190 HN 14 LYS+ QE 6.40 # m 5 91450.0*2e 1 9058 HN 15 HIS HN 4.50 # 3 179100.0 e 1 9033 HA 13 GLN HB2 3.40 # 2 1318000.0 e 1 5739 HA 13 GLN HB3 3.30 # 2 1460000.0 e 1 5743 HA 13 GLN QG 4.60 # i 1 427200.0*2e 1 5735 HA 14 LYS+ HN 4.20 # 2 376600.0 e 1 5273 HA 15 HIS HN 3.80 # 3 482400.0 e 1 6519 HA 51 GLY HA1 4.00 # 4 311700.0 e 1 9075 HA 51 GLY HA2 3.90 # 4 396700.0 e 1 9074 HB2 13 GLN QG 4.60 # m 1 747500.0*2e 1 5734 HB2 14 LYS+ HN 4.00 # 2 524200.0 e 1 6507 HB2 14 LYS+ QG 5.80 # m 5 201400.0*2e 1 8370 HB3 13 GLN QG 4.70 # m 1 692000.0*2e 1 5742 HB3 14 LYS+ HN 4.50 # 2 241700.0 e 1 8363 QG 14 LYS+ HN 6.40 # m 5 98050.0*2e 1 8362 14 LYS+ HN 14 LYS+ HA 3.50 # 2 1127000.0 e 1 5274 HN 14 LYS+ HB2 3.60 # 2 1010000.0 e 1 5275 HN 14 LYS+ HB3 3.90 # 2 567200.0 e 1 5277 HN 14 LYS+ QG 4.40 # m 1 1096500.0*2e 1 5276 HN 14 LYS+ QE 6.70 # m 1 47485.0*2e 1 9050 HN 15 HIS HN 3.40 # 2 1365000.0 e 1 6427 HN 15 HIS HA 5.00 # 2 122100.0 e 1 8331 HN 15 HIS HB2 5.60 # 2 65470.0 e 1 8372 HN 15 HIS HB3 5.70 # 2 55150.0 e 1 7311 HN 15 HIS HD2 4.40 # 5 327000.0 e 1 6511 HA 14 LYS+ HB2 3.80 # 2 661400.0 e 1 5746 HA 14 LYS+ HB3 3.70 # 2 734400.0 e 1 5745 HA 14 LYS+ QG 4.30 # i 1 663000.0*2e 1 5747 HA 15 HIS HN 4.00 # 2 466600.0 e 1 5269 HB2 14 LYS+ QG 4.60 # m 1 830000.0*2e 1 5750 HB2 15 HIS HN 4.00 # 2 459700.0 e 1 7308 HB2 15 HIS HD2 3.60 # 5 1062000.0 e 1 8368 HB3 14 LYS+ QG 4.50 # m 1 917500.0*2e 1 5749 HB3 14 LYS+ QE 5.10 # m 1 344600.0*2e 1 9178 HB3 15 HIS HN 4.70 # 2 185300.0 e 1 9053 HB3 15 HIS HD2 4.00 # 5 564500.0 e 1 8367 QG 14 LYS+ QE 5.30 # mm 1 1224000.0*4e 1 9051 QG 15 HIS HN 5.60 # m 5 255150.0*2e 1 7310 15 HIS HN 15 HIS HA 3.70 # 2 774400.0 e 1 5761 HN 15 HIS HB2 3.50 # 2 1185000.0 e 1 5270 HN 15 HIS HB3 3.80 # 2 665600.0 e 1 5271 HN 15 HIS HD2 3.60 # 1 763100.0 e 1 6420 HN 16 ASN HN 4.40 # 2 286600.0 e 1 8373 HN 16 ASN HB3 6.00 # w 2 31010.0 e 1 9288 HN 22 TRP HN 5.20 # 4 64990.0 e 1 9545 HA 15 HIS HB2 3.60 # 2 956500.0 e 1 5772 HA 15 HIS HB3 3.30 # 2 1652000.0 e 1 7085 HA 15 HIS HD2 4.10 # 1 352500.0 e 1 5764 HA 15 HIS HE1 5.60 # 1 51710.0 e 1 9055 HA 16 ASN HN 3.70 # 2 798800.0 e 1 7093 HA 16 ASN HB3 5.40 # 2 78430.0 e 1 9384 HA 22 TRP HN 4.70 # 4 125100.0 e 1 9544 HB2 15 HIS HD2 4.10 # 1 365300.0 e 1 5763 HB2 22 TRP HN 3.90 # 5 626600.0 e 1 9615 HB2 22 TRP HB2 4.10 # 5 476000.0 e 1 9569 HB2 22 TRP HE3 5.00 # 5 152600.0 e 1 9653 HB3 15 HIS HD2 4.40 # 1 232700.0 e 1 5775 HB3 16 ASN HN 4.40 # 2 285600.0 e 1 8375 HB3 22 TRP HN 3.90 # 5 622600.0 e 1 7833 HB3 22 TRP HB2 4.40 # 5 325700.0 e 1 9568 HB3 22 TRP HE3 5.30 # 5 106900.0 e 1 9654 HD2 15 HIS HE1 4.60 # 1 180900.0 e 1 9287 HE1 22 TRP HZ2 4.20 # 5 419900.0 e 1 9570 HE1 22 TRP HH2 5.10 # 5 135800.0 e 1 9543 16 ASN HN 16 ASN HA 3.50 # 2 1150000.0 e 1 9547 HN 16 ASN HB2 4.00 # 2 458900.0 e 1 7357 HN 16 ASN HB3 3.80 # 2 628200.0 e 1 7358 HN 16 ASN HD21 4.40 # 1 241100.0 e 1 8974 HN 17 ASN HN 3.20 # 2 2029000.0 e 1 7307 HN 17 ASN HB2 6.00 ># w 2 39530.0 e 1 9664 HN 17 ASN HB3 5.10 <# 2 109200.0 e 1 9065 HA 16 ASN HB2 3.40 # 2 1218000.0 e 1 9548 HA 16 ASN HB3 3.30 # 2 1590000.0 e 1 9549 HA 17 ASN HN 3.70 # 2 858600.0 e 1 9550 HA 50 ALA QB 5.30 # 5M 469800.0 e 1 9606 HB2 16 ASN HD21 3.60 # 1 722200.0 e 1 7565 HB2 16 ASN HD22 3.60 # 1 778600.0 e 1 7933 HB2 17 ASN HN 5.00 # 2 132300.0 e 1 9552 HB2 50 ALA QB 5.20 # 5M 531500.0 e 1 8380 HB2 51 GLY HA2 5.10 # 5 138700.0 e 1 9080 HB3 16 ASN HD21 3.60 # 1 817900.0 e 1 7568 HB3 16 ASN HD22 3.70 # 1 614200.0 e 1 7930 HB3 17 ASN HN 5.10 # 2 115300.0 e 1 9697 HB3 50 ALA QB 5.00 # 5M 695500.0 e 1 7927 HB3 51 GLY HA2 5.00 # 5 147800.0 e 1 9275 17 ASN HN 17 ASN HA 3.60 # 2 1017000.0 e 1 5244 HN 17 ASN HB2 4.20 ># 2 350300.0 e 1 9627 HN 17 ASN HB3 3.60 <# 2 932100.0 e 1 6575 HN 17 ASN HD22 5.20 # 1 86660.0 e 1 8117 HN 18 SER HN 5.10 # 2 114200.0 e 1 9698 HN 20 SER HN 4.90 # 3 113800.0 e 1 9683 HN 21 THR HA 5.00 # 3 95200.0 e 1 9553 HN 21 THR QG2 5.90 # 5M 246800.0 e 1 9554 HA 17 ASN HB2 3.30 # 2 1536000.0 e 1 6578 HA 17 ASN HB3 3.30 # 2 1669000.0 e 1 6574 HA 19 LYS+ HN 5.10 # 3 87130.0 e 1 9272 HA 20 SER HN 5.10 # 3 84140.0 e 1 9684 HB2 17 ASN HD22 3.50 # 1 863800.0 e 1 7996 HB2 19 LYS+ HN 4.70 # 3 138900.0 e 1 9270 HB3 17 ASN HD22 3.60 # 1 799900.0 e 1 7719 HB3 19 LYS+ HN 5.00 # 3 93370.0 e 1 9271 18 SER HN 18 SER HA 4.10 # 2 438200.0 e 1 6585 HN 18 SER QB 4.50 # i 2 590500.0*2e 1 6584 19 LYS+ HN 19 LYS+ HA 3.50 # 2 1086000.0 e 1 5788 HN 19 LYS+ HB2 3.60 # 2 909400.0 e 1 5789 HN 19 LYS+ HB3 3.50 # 2 1129000.0 e 1 9267 HN 19 LYS+ HG2 4.10 # 1 365600.0 e 1 5786 HN 19 LYS+ HG3 4.70 # 1 152000.0 e 1 9268 HN 19 LYS+ QD 7.00 # m w 1 32090.0*2e 1 8159 HN 20 SER HN 3.10 # 2 2252000.0 e 1 8778 HA 19 LYS+ HB2 3.50 # 2 1062000.0 e 1 5258 HA 19 LYS+ HB3 3.60 # 2 915700.0 e 1 5791 HA 19 LYS+ HG2 3.70 # 1 684600.0 e 1 7849 HA 19 LYS+ HG3 3.50 # 1 890000.0 e 1 7848 HA 19 LYS+ QD 4.90 # m 1 465750.0*2e 1 9565 HA 20 SER HN 4.00 # 2 511400.0 e 1 5254 HA 33 THR QG2 4.90 # 5M 724100.0 e 1 9763 HB2 19 LYS+ HG2 3.60 # 1 791100.0 e 1 8107 HB2 19 LYS+ QD 5.30 # m 1 280400.0*2e 1 9555 HB2 20 SER HN 4.10 # 2 430300.0 e 1 6579 HB2 20 SER HB3 4.70 # 5 217900.0 r 1 9729 HB3 19 LYS+ HG2 3.50 # 1 855900.0 e 1 5793 HB3 20 SER HN 4.10 # 2 403200.0 e 1 6580 HB3 20 SER HB3 5.50 # 5 83280.0 e 1 9730 HG2 19 LYS+ QD 4.40 # m 1 1206500.0*2e 1 8154 HG2 20 SER HN 5.50 # 5 81210.0 e 1 8151 HG3 19 LYS+ QD 4.40 # m 1 1080500.0*2e 1 8155 HG3 20 SER HN 5.20 # 5 115500.0 e 1 8152 QD 20 SER HN 7.00 # m w 5 16015.0*2e 1 8150 20 SER HN 20 SER HA 3.90 # 2 586400.0 e 1 5253 HN 20 SER HB2 4.00 # 2 516500.0 e 1 5794 HN 20 SER HB3 4.00 # 2 485900.0 e 1 5795 HN 21 THR HN 4.20 # 2 373600.0 e 1 8780 HN 33 THR QG2 5.30 # 5M 486900.0 e 1 9731 HA 20 SER HB2 4.10 # 2 402500.0 e 1 5800 HA 20 SER HB3 4.70 # 2 187400.0 e 1 5803 HA 21 THR HN 3.20 # 2 1828000.0 e 1 5403 HA 33 THR HN 5.10 # 4 78180.0 e 1 9475 HA 33 THR QG2 4.60 # 5M 1151000.0 e 1 9476 HB2 21 THR HN 5.10 # 2 112000.0 e 1 8782 21 THR HN 21 THR HA 3.70 # 2 856500.0 e 1 5399 HN 21 THR HB 3.40 # 2 1349000.0 e 1 5401 HN 21 THR QG2 5.50 # 1M 335000.0 e 1 7598 HN 22 TRP HN 4.40 # 2 287800.0 e 1 8385 HN 32 LEU HN 4.30 # 4 221000.0 e 1 8651 HN 33 THR HA 3.50 # 4 709800.0 e 1 9556 HN 33 THR QG2 4.70 # 5M 919100.0 e 1 7751 HN 36 LEU QD1 6.20 # 5M 176100.0 e 1 9624 HN 36 LEU QD2 6.30 # 5M 157400.0 e 1 9629 HA 21 THR HB 4.30 # 2 311500.0 e 1 7004 HA 21 THR QG2 4.30 # 1M 1477000.0 e 1 7606 HA 22 TRP HN 3.10 # 2 2291000.0 e 1 5396 HA 22 TRP HA 4.80 # 2 153700.0 e 1 9583 HA 50 ALA QB 5.70 # 5M 311200.0 e 1 9631 HB 21 THR QG2 3.90 # 1M 2564000.0 e 1 7605 HB 22 TRP HN 4.90 # 2 138900.0 e 1 7998 HB 32 LEU HN 6.00 # w 5 45600.0 e 1 9563 HB 33 THR HN 5.10 # 5 133400.0 e 1 9557 HB 33 THR HA 3.70 # 5 922200.0 e 1 9732 HB 33 THR QG2 6.10 # 5M 193300.0 e 1 9559 HB 36 LEU HG 4.70 # 5 219700.0 e 1 8510 HB 36 LEU QD1 4.70 # 5M 1015000.0 e 1 8509 HB 36 LEU QD2 4.70 # 5M 975000.0 e 1 8508 HB 50 ALA QB 5.80 # 5M 260900.0 e 1 9632 QG2 22 TRP HN 4.80 # 5M 819500.0 e 1 7600 QG2 22 TRP HA 6.80 # 5M 104300.0 e 1 8631 QG2 23 LEU QD2 6.30 # m 5M 461300.0 e 1 7843 QG2 32 LEU HN 5.50 # 5M 357000.0 e 1 8648 QG2 32 LEU HB2 5.00 # 5M 623000.0 e 1 9561 QG2 32 LEU HB3 5.70 # 5M 288000.0 e 1 9734 QG2 32 LEU QD1 5.90 # m 5M 766900.0 e 1 9660 QG2 33 THR HN 7.00 # 5M 85110.0 e 1 9623 QG2 36 LEU HG 6.40 # 5M 147600.0 e 1 9735 QG2 36 LEU QD1 5.20 # m 5M 1905000.0 e 1 9537 QG2 36 LEU QD2 5.00 # m 5M 2751000.0 e 1 7604 QG2 47 ARG+ HA 5.50 # 5M 366600.0 e 1 8954 QG2 47 ARG+ QB 6.80 # m 5M 273650.0*2e 1 9567 QG2 50 ALA HN 6.20 # 5M 184800.0 e 1 8430 QG2 50 ALA HA 4.80 # 5M 794500.0 e 1 6854 QG2 50 ALA QB 4.80 # m 5M 3389000.0 e 1 9736 QG2 51 GLY HN 5.90 # 5M 251300.0 e 1 7672 22 TRP HN 22 TRP HA 3.90 # 2 533800.0 e 1 5395 HN 22 TRP HB2 3.90 # 2 602600.0 e 1 5397 HN 22 TRP HB3 4.10 # 2 402600.0 e 1 5398 HN 22 TRP HD1 4.50 # 1 198300.0 e 1 5810 HN 23 LEU HN 5.10 # 2 108200.0 e 1 8630 HN 50 ALA HA 4.70 # 4 124500.0 e 1 8917 HN 50 ALA QB 5.30 # 5M 463400.0 e 1 7832 HN 51 GLY HN 4.50 # 4 170100.0 e 1 7673 HA 22 TRP HB2 3.80 # 2 646400.0 e 1 5824 HA 22 TRP HB3 3.50 # 2 1083000.0 e 1 5825 HA 22 TRP HD1 3.30 # 1 1283000.0 e 1 5818 HA 22 TRP HE1 5.60 # 1 54510.0 e 1 5817 HA 23 LEU HN 3.10 # 2 2517000.0 e 1 6482 HA 23 LEU HA 5.10 # 2 116900.0 e 1 9737 HA 23 LEU HB2 5.10 # 2 116700.0 e 1 8929 HA 23 LEU HG 6.00 # w 5 35130.0 e 1 8930 HA 29 VAL QG1 6.40 # 5M 143000.0 e 1 8567 HA 30 TYR HN 5.30 # 4 57030.0 e 1 8654 HA 31 ASP- HA 3.10 # 4 1668000.0 e 1 6707 HA 31 ASP- HB2 5.70 # 5 65800.0 e 1 9741 HA 32 LEU HN 3.40 # 4 918200.0 e 1 8160 HB2 22 TRP HD1 4.70 # 1 154300.0 e 1 5820 HB2 22 TRP HE3 3.80 # 1 583200.0 e 1 7523 HB2 23 LEU HN 4.00 # 2 521600.0 e 1 9655 HB2 29 VAL QG1 6.50 # 5M 134700.0 e 1 9093 HB3 22 TRP HD1 4.40 # 1 229100.0 e 1 8025 HB3 22 TRP HE3 3.70 # 1 661500.0 e 1 7517 HB3 23 LEU HN 3.50 # 2 1163000.0 e 1 9656 HB3 29 VAL QG1 5.60 # 5M 320300.0 e 1 9092 HD1 22 TRP HE3 3.40 # 1 1174000.0 e 1 8023 HD1 22 TRP HE1 3.20 # 1 1671000.0 e 1 7006 HD1 23 LEU HN 5.20 # 5 118800.0 e 1 8627 HD1 31 ASP- HA 3.20 # 5 2189000.0 e 1 8024 HD1 31 ASP- HB2 4.20 # 5 456600.0 e 1 9739 HD1 31 ASP- HB3 4.70 # 5 213400.0 e 1 9740 HD1 32 LEU HN 4.30 # 5 380100.0 e 1 6477 HD1 76 ILE QD1 6.10 # 5M 189900.0 e 1 8578 HE3 22 TRP HZ3 3.30 # 1 1443000.0 e 1 7521 HE3 29 VAL QG1 5.00 <# 5M 693500.0 e 1 9096 HE3 29 VAL QG2 6.70 ># 5M 116100.0 e 1 9738 HE3 76 ILE QD1 5.80 # 5M 255700.0 e 1 8579 HE1 22 TRP HZ2 3.40 # 1 1073000.0 e 1 7094 HE1 22 TRP HH2 5.10 # 1 89340.0 e 1 8020 HE1 76 ILE QD1 5.10 # 5M 580900.0 e 1 7864 HZ3 22 TRP HZ2 4.50 # 1 212800.0 e 1 8015 HZ3 22 TRP HH2 3.20 # 1 1509000.0 e 1 7556 HZ3 29 VAL QG1 5.80 # 5M 270300.0 e 1 7511 HZ3 76 ILE QD1 6.30 # 5M 155600.0 e 1 7510 HZ2 22 TRP HH2 3.10 # 1 1867000.0 e 1 8019 HZ2 76 ILE QD1 4.80 # 5M 806800.0 e 1 8018 HH2 29 VAL QG1 7.00 # w 5M 25850.0 e 1 8569 HH2 76 ILE QD1 5.40 # 5M 428700.0 e 1 7516 23 LEU HN 23 LEU HA 3.70 # 2 761000.0 e 1 5408 HN 23 LEU HB2 3.90 # 2 566300.0 e 1 5846 HN 23 LEU HB3 4.00 # 2 458000.0 e 1 5848 HN 23 LEU HG 3.90 # 1 517300.0 e 1 5847 HN 23 LEU QD1 4.30 <# 1M 1525000.0 e 1 5845 HN 23 LEU QD2 5.00 ># 1M 605700.0 e 1 7733 HN 24 ILE HN 4.80 # 2 159400.0 e 1 9633 HN 24 ILE QG1 6.30 # m 5 103000.0*2e 1 9709 HN 29 VAL HA 4.90 # 4 99920.0 e 1 9667 HN 29 VAL QG1 5.60 # 5M 323500.0 e 1 9342 HN 30 TYR HN 3.10 # 4 1571000.0 e 1 6691 HN 31 ASP- HA 4.50 # 4 156300.0 e 1 9511 HN 32 LEU HG 5.40 # 5 94380.0 e 1 9300 HN 32 LEU QD2 7.00 # w 5M 73840.0 e 1 9439 HA 23 LEU HB2 3.60 # 2 901000.0 e 1 8147 HA 23 LEU HB3 3.60 # 2 974200.0 e 1 8013 HA 23 LEU HG 3.90 # 1 445300.0 e 1 8588 HA 23 LEU QD1 6.30 # 1M 144400.0 e 1 7740 HA 23 LEU QD2 5.90 # 1M 222500.0 e 1 8495 HA 24 ILE HN 3.30 # 2 1674000.0 e 1 5849 HA 51 GLY HN 3.80 # 4 429700.0 e 1 7728 HA 52 GLY HN 3.90 # 4 359300.0 e 1 6909 HB2 23 LEU HG 3.20 # 1 1477000.0 e 1 8498 HB2 23 LEU QD1 4.40 # 1M 1288000.0 e 1 7099 HB2 23 LEU QD2 4.70 # 1M 904400.0 e 1 8496 HB2 24 ILE HN 3.30 <# 2 1587000.0 e 1 8621 HB2 50 ALA HA 4.80 # 5 195700.0 e 1 9634 HB2 51 GLY HN 4.90 # 5 162900.0 e 1 8918 HB2 52 GLY HN 5.40 # 5 89090.0 e 1 7839 HB3 23 LEU HG 3.30 # 1 1420000.0 e 1 8146 HB3 23 LEU QD1 5.20 # 1M 467800.0 e 1 7097 HB3 23 LEU QD2 4.80 # 1M 739500.0 e 1 7735 HB3 24 ILE HN 3.90 ># 2 584600.0 e 1 8637 HB3 50 ALA HA 4.30 # 5 375100.0 e 1 9685 HB3 51 GLY HN 4.80 # 5 193400.0 e 1 9100 HB3 52 GLY HN 5.10 # 5 127200.0 e 1 8926 HG 23 LEU QD1 4.20 # 1M 1684000.0 e 1 7098 HG 23 LEU QD2 4.70 # 1M 849900.0 e 1 7737 QD1 24 ILE HN 5.60 # 5M 326400.0 e 1 7095 QD1 24 ILE HA 6.60 # 5M 124700.0 e 1 9625 QD1 25 LEU HG 5.00 # 5M 630000.0 e 1 8592 QD1 25 LEU QD1 6.20 # m 5M 527800.0 e 1 9306 QD1 25 LEU QD2 6.30 # m 5M 444400.0 e 1 9305 QD1 30 TYR HN 6.30 # 5M 168200.0 e 1 7657 QD1 30 TYR HB2 6.10 # 5M 200100.0 e 1 9742 QD1 30 TYR HB3 5.40 # 5M 397100.0 e 1 9538 QD1 30 TYR QD 7.80 # r 5M 281300.0*2e 1 9515 QD1 30 TYR QE 9.00 # r w 5M 60350.0*2e 1 9514 QD1 46 LEU HA 7.00 ># w 5M 60520.0 e 1 8863 QD1 50 ALA HN 7.00 # w 5M 0.0 e 1 8428 QD1 50 ALA HA 6.00 # 5M 213000.0 e 1 9098 QD1 50 ALA QB 8.00 ># m w 5M 45330.0 e 1 8131 QD1 51 GLY HN 7.00 # w 5M 72520.0 e 1 7826 QD1 52 GLY HN 7.00 # w 5M 77440.0 e 1 8014 QD1 54 ALA HN 6.50 # 5M 129500.0 e 1 9341 QD1 54 ALA QB 5.60 # m 5M 1099000.0 e 1 8590 QD1 117 LHEM HV2C 4.70 # 5M 973280.0 e 2 8565 QD2 24 ILE HN 6.20 # 5M 174900.0 e 1 8925 QD2 25 LEU QD1 7.20 # m 5M 179400.0 e 1 8594 QD2 25 LEU QD2 8.00 # m w 5M 61710.0 e 1 9447 QD2 46 LEU HA 5.60 <# 5M 335700.0 e 1 8458 QD2 49 GLN HN 6.90 # 5M 91510.0 e 1 8580 QD2 49 GLN HB2 5.40 # 5M 399200.0 e 1 9540 QD2 49 GLN HG3 6.30 # 5M 163400.0 e 1 8935 QD2 50 ALA HN 6.90 # 5M 96610.0 e 1 8427 QD2 50 ALA HA 5.40 # 5M 405200.0 e 1 9099 QD2 50 ALA QB 7.00 <# m 5M 229200.0 e 1 8130 QD2 51 GLY HN 6.20 # 5M 173900.0 e 1 7825 QD2 52 GLY HN 6.40 # 5M 141600.0 e 1 7838 QD2 54 ALA HN 7.00 # w 5M 67940.0 e 1 9340 QD2 54 ALA QB 5.70 # m 5M 971900.0 e 1 8589 24 ILE HN 24 ILE HA 3.80 # 2 648200.0 e 1 5502 HN 24 ILE HB 3.40 # 2 1391000.0 e 1 5499 HN 24 ILE QG2 5.60 # 1M 306900.0 e 1 7104 HN 24 ILE QG1 4.70 # m 1 655500.0*2e 1 5501 HN 24 ILE QD1 5.30 # 1M 402000.0 e 1 5500 HN 25 LEU HN 4.90 # 2 150200.0 e 1 9038 HN 25 LEU QD1 6.60 # 5M 123700.0 e 1 9354 HN 53 ASP- HB3 5.40 # 5 91970.0 e 1 8240 HN 54 ALA HN 3.90 # 4 397200.0 e 1 9611 HN 54 ALA QB 5.80 # 5M 270100.0 e 1 8622 HA 24 ILE HB 4.10 # 2 395400.0 e 1 5855 HA 24 ILE QG2 4.30 # 1M 1432000.0 e 1 6608 HA 24 ILE QG1 5.00 # i 1 233650.0*2e 1 5862 HA 24 ILE QD1 5.10 # 1M 549000.0 e 1 5866 HA 25 LEU HN 3.20 # 2 1851000.0 e 1 5511 HA 29 VAL HA 3.80 # 4 423500.0 e 1 9637 HA 29 VAL QG1 6.60 # 5M 124800.0 e 1 9635 HA 29 VAL QG2 6.20 # 5M 182100.0 e 1 9636 HA 30 TYR HN 4.80 # 4 102400.0 e 1 8906 HA 30 TYR QD 6.30 # r 5 361800.0*2e 1 7450 HA 30 TYR QE 6.90 # r 5 161150.0*2e 1 7451 HB 24 ILE QG2 4.10 # 1M 2064000.0 e 1 5863 HB 24 ILE QG1 4.20 # m 1 1528500.0*2e 1 5858 HB 24 ILE QD1 4.60 # 1M 911600.0 e 1 5867 HB 53 ASP- HN 4.80 # 5 179700.0 e 1 8129 HB 53 ASP- HB3 4.60 # 5 262800.0 e 1 8239 QG2 24 ILE QG1 5.40 # m 1M 1289500.0*2e 1 8911 QG2 24 ILE QD1 5.30 # m 1M 1478000.0 e 1 8109 QG2 25 LEU HN 4.40 # 5M 1512000.0 e 1 9304 QG2 25 LEU HA 6.00 # 5M 227200.0 e 1 9744 QG2 26 HIS HN 6.30 # 5M 162800.0 e 1 7689 QG2 26 HIS HA 7.00 # w 5M 79930.0 e 1 7744 QG2 27 TYR HN 4.10 # 5M 2072000.0 e 1 7613 QG2 27 TYR HA 4.50 # 5M 1174000.0 e 1 9639 QG2 27 TYR HB3 7.00 # w 5M 31420.0 e 1 8030 QG2 27 TYR QD 7.90 # r 5M 251900.0*2e 1 9638 QG2 28 LYS+ HN 5.10 # 5M 588600.0 e 1 9743 QG2 30 TYR QD 9.00 # r w 5M 44570.0*2e 1 8922 QG2 30 TYR QE 9.00 # r w 5M 57250.0*2e 1 8908 QG2 53 ASP- HB2 7.00 # w 5M 55090.0 e 1 9710 QG2 53 ASP- HB3 7.00 # w 5M 73290.0 e 1 8237 QG2 79 LEU HN 5.80 # 5M 275600.0 e 1 9669 QG2 79 LEU QD1 6.00 # m 5M 636700.0 e 1 9381 QG2 79 LEU QD2 5.80 # m 5M 800700.0 e 1 9708 QG1 24 ILE QD1 5.70 # m 1M 822500.0*2e 1 5857 QG1 29 VAL QG1 6.30 # m 5M 456900.0*2e 1 8909 QG1 29 VAL QG2 5.60 # m 5M 1094000.0*2e 1 8910 QG1 53 ASP- HA 5.90 # m 5 172100.0*2e 1 9713 QG1 53 ASP- HB2 5.50 # m 5 265950.0*2e 1 8234 QG1 53 ASP- HB3 5.60 # m 5 240150.0*2e 1 9618 QG1 79 LEU HN 5.80 # m 5 180200.0*2e 1 9670 QG1 79 LEU QD1 5.20 # m 5M 1829500.0*2e 1 9673 QG1 79 LEU QD2 5.50 # m 5M 1170500.0*2e 1 9672 25 LEU HN 25 LEU HA 3.80 # 2 633000.0 e 1 5505 HN 25 LEU HB2 3.70 <# 2 819300.0 e 1 5506 HN 25 LEU HB3 4.40 ># 2 296100.0 e 1 5510 HN 25 LEU HG 4.80 # 1 135900.0 e 1 5898 HN 25 LEU QD1 5.90 # 1M 206800.0 e 1 5509 HN 25 LEU QD2 6.00 # 1M 185500.0 e 1 5508 HN 26 HIS HN 4.30 # 2 327600.0 e 1 7762 HN 27 TYR HN 4.60 # 3 159100.0 e 1 9746 HN 28 LYS+ HN 3.90 # 3 457300.0 e 1 8913 HN 29 VAL HA 4.00 # 3 346400.0 e 1 8912 HN 30 TYR QD 6.30 # r 5 370500.0*2e 1 7592 HN 30 TYR QE 5.70 # r 5 860000.0*2e 1 7441 HA 25 LEU HB2 3.80 # 2 670500.0 e 1 5880 HA 25 LEU HB3 3.70 # 2 829400.0 e 1 5883 HA 25 LEU HG 3.80 # 1 526600.0 e 1 5897 HA 25 LEU QD1 4.40 <# 1M 1221000.0 e 1 5903 HA 25 LEU QD2 5.90 ># 1M 213200.0 e 1 5908 HA 26 HIS HN 3.10 # 2 2529000.0 e 1 7527 HA 27 TYR HN 4.60 # 3 156000.0 e 1 9747 HA 28 LYS+ HN 4.70 # 3 134700.0 e 1 8915 HA 54 ALA HN 4.30 # 4 217600.0 e 1 8920 HA 55 THR HA 3.80 # 4 485500.0 e 1 6886 HA 55 THR QG2 5.70 # 5M 313800.0 e 1 7543 HB2 25 LEU HG 3.20 # 1 1579000.0 e 1 5896 HB2 25 LEU QD1 5.40 # 1M 382600.0 e 1 5902 HB2 25 LEU QD2 4.20 # 1M 1794000.0 e 1 5876 HB2 26 HIS HN 6.00 ># 2 44220.0 e 1 8957 HB2 30 TYR QD 6.50 <# r 5 271450.0*2e 1 9748 HB2 30 TYR QE 5.70 # r 5 901000.0*2e 1 7016 HB2 55 THR HA 5.10 # 5 134600.0 e 1 7763 HB3 25 LEU HG 3.30 # 1 1393000.0 e 1 5890 HB3 25 LEU QD1 4.40 # 1M 1257000.0 e 1 5901 HB3 25 LEU QD2 4.10 # 1M 2056000.0 e 1 5888 HB3 26 HIS HN 4.20 <# 2 358600.0 e 1 7530 HB3 26 HIS HD2 4.40 # 5 336900.0 e 1 7547 HB3 30 TYR QD 7.90 ># r 5 53350.0*2e 1 9432 HB3 30 TYR QE 6.10 # r 5 533000.0*2e 1 7458 HB3 55 THR HA 4.80 # 5 185200.0 e 1 9299 HG 25 LEU QD1 4.10 # 1M 2036000.0 e 1 5894 HG 25 LEU QD2 4.00 # 1M 2384000.0 e 1 5893 HG 26 HIS HN 6.00 # w 5 37360.0 e 1 8538 HG 30 TYR QD 6.90 # r 5 166900.0*2e 1 9431 HG 30 TYR QE 6.40 # r 5 313250.0*2e 1 7457 HG 54 ALA HN 6.00 # w 5 34940.0 e 1 8958 QD1 26 HIS HN 5.50 <# 5M 361900.0 e 1 7662 QD1 26 HIS HD2 6.80 # 5M 104700.0 e 1 6882 QD1 30 TYR QD 9.00 ># r w 5M 53150.0*2e 1 7462 QD1 30 TYR QE 8.90 ># r 5M 94100.0*2e 1 7461 QD1 54 ALA HN 4.90 # 5M 736300.0 e 1 7553 QD1 54 ALA QB 5.20 # m 5M 1884000.0 e 1 8591 QD1 55 THR HN 4.90 # 5M 744200.0 e 1 7554 QD1 55 THR HA 4.20 <# 5M 1807000.0 e 1 6885 QD1 55 THR QG2 6.80 # m 5M 259000.0 e 1 7743 QD1 58 PHE HN 5.70 <# 5M 301900.0 e 1 9513 QD1 59 GLU- HN 7.00 # w 5M 75790.0 e 1 7656 QD1 117 LHEM QM3 4.30 # 5M 1608600.0 e 2 8624 QD2 26 HIS HN 7.00 ># w 5M 35500.0 e 1 7940 QD2 30 TYR QD 7.90 <# r 5M 243550.0*2e 1 6880 QD2 30 TYR QE 7.30 <# r 5M 461150.0*2e 1 7463 QD2 55 THR HA 7.00 ># w 5M 70990.0 e 1 9102 QD2 58 PHE HN 7.00 ># w 5M 16380.0 e 1 9512 QD2 117 LHEM HV2A 4.70 # 5M 905380.0 e 2 8559 QD2 117 LHEM HV2T 4.60 # 5M 1036980.0 e 2 8546 QD2 117 LHEM HV2C 4.40 # 5M 1493800.0 e 2 8545 QD2 117 LHEM QM3 4.80 # 5M 837060.0 e 2 8547 26 HIS HN 26 HIS HA 3.30 # 2 1600000.0 e 1 6561 HN 26 HIS QB 5.20 # i 2 224500.0*2e 1 7528 HN 26 HIS HD2 4.60 # 1 169400.0 e 1 7545 HN 26 HIS HE1 6.00 # w 1 22450.0 e 1 8145 HN 27 TYR HN 3.70 # 2 839900.0 e 1 7540 HN 28 LYS+ HN 4.50 # 3 190500.0 e 1 8010 HN 30 TYR QE 8.00 # r w 5 15850.0*2e 1 8548 HN 55 THR HN 4.50 # 4 170800.0 e 1 7970 HN 55 THR HA 4.20 # 4 247400.0 e 1 7663 HN 55 THR QG2 4.50 # 5M 1178000.0 e 1 7529 HA 26 HIS QB 4.60 # m 2 1010500.0*2e 1 7539 HA 26 HIS HD2 4.90 # 1 122700.0 e 1 7532 HA 27 TYR HN 3.20 # 2 2101000.0 e 1 7548 HA 55 THR QG2 5.30 # 5M 445500.0 e 1 7535 QB 26 HIS HD2 4.80 # m 1 524000.0*2e 1 6790 QB 27 TYR HN 5.20 # m 2 387750.0*2e 1 7546 HD2 55 THR QG2 5.50 # 5M 368200.0 e 1 6987 27 TYR HN 27 TYR HA 2.90 # 2 3694000.0 e 1 5390 HN 27 TYR HB2 4.20 # 2 369700.0 e 1 5940 HN 27 TYR HB3 3.70 # 2 767400.0 e 1 5944 HN 27 TYR QD 5.90 # r 1 450850.0*2e 1 7549 HN 27 TYR QE 5.80 # m 1 128000.0*2e 1 8134 HA 27 TYR HB2 3.60 # 2 988700.0 e 1 5938 HA 27 TYR HB3 3.70 # 2 793200.0 e 1 5942 HA 27 TYR QD 4.60 # m 1 839000.0*2e 1 6668 HA 27 TYR QE 5.70 # i 1 89000.0*2e 1 9725 HA 28 LYS+ HN 4.10 # 2 449200.0 e 1 6739 HA 79 LEU HN 4.80 # 4 110900.0 e 1 7801 HB2 27 TYR QD 5.40 # r 1 1029000.0*2e 1 7551 HB2 27 TYR QE 7.00 # r 1 106950.0*2e 1 8136 HB2 79 LEU HN 5.30 # 5 101700.0 e 1 7800 HB2 79 LEU QD1 7.00 # w 5M 12360.0 e 1 9108 HB2 79 LEU QD2 7.00 # w 5M 18400.0 e 1 9105 HB3 27 TYR QD 5.80 # r 1 591000.0*2e 1 7550 HB3 27 TYR QE 7.10 # r 1 90450.0*2e 1 8135 HB3 79 LEU HN 4.60 # 5 235200.0 e 1 7799 HB3 79 LEU QD1 7.00 # w 5M 41830.0 e 1 9109 HB3 79 LEU QD2 7.00 # w 5M 42130.0 e 1 9104 QD 27 TYR QE 7.50 # rr 1 998500.0*4e 1 8139 QD 28 LYS+ QB 8.60 # rm 5 77175.0*4e 1 9110 QD 79 LEU HN 8.00 # r 5 49110.0*2e 1 7802 QD 79 LEU QD2 6.60 # r 5M 1111500.0*2e 1 8026 QD 84 ARG+ HA 7.10 # r 5 134000.0*2e 1 8393 QD 84 ARG+ HB2 6.40 # r 5 344300.0*2e 1 8392 QD 84 ARG+ HB3 7.00 # r 5 153000.0*2e 1 8394 QD 84 ARG+ HE 8.00 # r 5 50900.0*2e 1 8395 QE 79 LEU QD2 8.50 # r 5M 139150.0*2e 1 8599 QE 84 ARG+ HA 6.30 # r 5 348100.0*2e 1 9759 QE 84 ARG+ HB2 6.30 # r 5 355600.0*2e 1 9758 QE 84 ARG+ HB3 6.50 # r 5 279800.0*2e 1 9757 QE 84 ARG+ HE 8.00 # r w 5 14695.0*2e 1 9760 28 LYS+ HN 28 LYS+ HA 3.50 # 2 1124000.0 e 1 9661 HN 28 LYS+ QB 5.10 # i 2 238850.0*2e 1 5519 HN 28 LYS+ HG2 4.70 ># 1 158000.0 e 1 7013 HN 28 LYS+ HG3 3.80 <# 1 568500.0 e 1 8564 HN 28 LYS+ HD2 4.10 # 1 338400.0 e 1 7011 HN 28 LYS+ HD3 3.80 # 1 528900.0 e 1 7010 HN 30 TYR QE 8.00 # r w 5 40250.0*2e 1 8004 HN 78 GLU- HA 4.90 # 4 101100.0 e 1 9587 HA 28 LYS+ QB 4.80 # m 2 632500.0*2e 1 9726 HA 29 VAL HN 3.20 # 2 2104000.0 e 1 9592 QB 28 LYS+ HD2 5.20 ># m 1 320900.0*2e 1 9163 QB 28 LYS+ HD3 4.30 <# m 1 1398000.0*2e 1 7827 QB 29 VAL HN 5.80 # m 2 171150.0*2e 1 9727 QB 30 TYR QE 7.00 # mr 5 537250.0*4e 1 7019 QB 75 ILE QG2 8.00 # m w 5M 43355.0*2e 1 9285 QB 75 ILE QD1 8.00 # m w 5M 30265.0*2e 1 9284 HG2 28 LYS+ HD3 5.40 # 1 63250.0 e 1 7828 HG3 28 LYS+ HD2 3.80 # 1 608000.0 e 1 8005 HG3 28 LYS+ HD3 3.60 # 1 795400.0 e 1 7829 HG3 30 TYR QE 7.80 # r 5 60050.0*2e 1 7018 HG3 78 GLU- HA 5.10 # 5 132900.0 e 1 9588 HD2 29 VAL HN 5.50 # 5 83450.0 e 1 8560 HD2 30 TYR QE 7.00 ># r 5 143200.0*2e 1 7017 HD2 78 GLU- HA 5.20 # 5 122600.0 e 1 9589 HD3 30 TYR QD 6.20 # r 5 435800.0*2e 1 6699 HD3 30 TYR QE 6.20 <# r 5 450000.0*2e 1 7468 HD3 78 GLU- HA 5.30 # 5 110500.0 e 1 9590 29 VAL HN 29 VAL HA 4.00 # 2 469900.0 e 1 5517 HN 29 VAL HB 3.40 # 2 1225000.0 e 1 5516 HN 29 VAL QG1 5.80 ># 1M 225900.0 e 1 5514 HN 29 VAL QG2 4.50 <# 1M 1165000.0 e 1 5515 HN 30 TYR HN 4.50 # 2 233200.0 e 1 5306 HN 30 TYR QE 8.00 # r w 5 24670.0*2e 1 9343 HN 75 ILE QG2 5.50 # 5M 365800.0 e 1 8620 HN 77 GLY HN 3.80 # 4 442800.0 e 1 8482 HN 78 GLU- HA 3.40 # 4 831200.0 e 1 8866 HN 78 GLU- HB2 6.00 # w 5 39660.0 e 1 8867 HN 78 GLU- QG 7.00 # m w 5 15345.0*2e 1 8883 HA 29 VAL HB 4.40 # 2 283800.0 e 1 5947 HA 29 VAL QG1 4.60 # 1M 933500.0 e 1 5960 HA 29 VAL QG2 4.30 # 1M 1408000.0 e 1 5955 HA 30 TYR HN 3.00 # 2 3020000.0 e 1 5380 HA 30 TYR QD 6.00 # r 5 580000.0*2e 1 7452 HA 30 TYR QE 6.30 # r 5 372750.0*2e 1 7453 HB 29 VAL QG1 4.10 # 1M 1926000.0 e 1 5958 HB 29 VAL QG2 4.00 # 1M 2246000.0 e 1 5954 HB 76 ILE HN 5.00 # 5 142700.0 e 1 8198 HB 76 ILE HG12 4.30 # 5 359600.0 e 1 9503 HB 76 ILE QD1 7.00 # w 5M 36050.0 e 1 9504 HB 77 GLY HN 4.30 # 5 386000.0 e 1 7470 QG1 30 TYR HN 4.70 # 5M 1019000.0 e 1 6319 QG1 30 TYR HA 6.30 # 5M 163100.0 e 1 7946 QG1 76 ILE HN 6.50 <# 5M 137500.0 e 1 8070 QG1 76 ILE QG2 6.70 # m 5M 288400.0 e 1 9506 QG1 76 ILE HG12 4.60 # 5M 1044000.0 e 1 9138 QG1 76 ILE QD1 6.40 # m 5M 419300.0 e 1 9505 QG1 77 GLY HN 6.80 # 5M 103500.0 e 1 7269 QG1 78 GLU- HA 7.00 ># w 5M 22210.0 e 1 9136 QG2 30 TYR HN 4.90 # 5M 733600.0 e 1 6763 QG2 76 ILE HN 7.00 ># w 5M 10130.0 e 1 9137 QG2 76 ILE HG12 7.00 # w 5M 45890.0 e 1 9139 QG2 77 GLY HN 7.00 # w 5M 55200.0 e 1 8483 QG2 78 GLU- HN 6.80 # 5M 100600.0 e 1 8540 QG2 78 GLU- HA 4.90 <# 5M 789200.0 e 1 6689 QG2 78 GLU- HB2 7.00 # w 5M 53610.0 e 1 9471 QG2 79 LEU HN 5.30 # 5M 464900.0 e 1 5424 QG2 80 HIS HN 7.00 # w 5M 48240.0 e 1 7938 30 TYR HN 30 TYR HA 4.20 # 2 364400.0 e 1 5381 HN 30 TYR HB2 3.60 # 2 974200.0 e 1 5969 HN 30 TYR HB3 4.00 # 2 463000.0 e 1 5976 HN 30 TYR QD 5.80 # r 1 585500.0*2e 1 5310 HN 30 TYR QE 5.80 # m 1 131300.0*2e 1 7447 HN 31 ASP- HN 4.90 # 2 141100.0 e 1 9039 HN 32 LEU QD2 6.80 # 5M 100900.0 e 1 9250 HN 76 ILE HN 6.00 # w 4 18100.0 e 1 8671 HA 30 TYR HB2 4.00 # 2 484900.0 e 1 5971 HA 30 TYR HB3 4.00 # 2 517700.0 e 1 5974 HA 30 TYR QD 5.00 # m 1 397300.0*2e 1 5963 HA 30 TYR QE 5.20 # i 1 173700.0*2e 1 7445 HA 31 ASP- HN 2.90 # 2 3362000.0 e 1 5977 HA 75 ILE HA 3.10 # 4 1426000.0 e 1 6866 HA 76 ILE HN 3.40 # 4 935700.0 e 1 7908 HA 76 ILE QG2 6.60 # 5M 124700.0 e 1 8672 HA 76 ILE HG13 5.00 # 5 154800.0 e 1 8673 HB2 30 TYR QD 5.30 # r 1 1230500.0*2e 1 5962 HB2 30 TYR QE 6.70 # r 1 146400.0*2e 1 7871 HB2 31 ASP- HN 5.00 ># 2 122600.0 e 1 9608 HB2 32 LEU QD1 5.20 # 5M 512000.0 e 1 7899 HB2 32 LEU QD2 5.10 # 5M 556000.0 e 1 7596 HB2 75 ILE HA 5.70 # 5 68520.0 e 1 9113 HB3 30 TYR QD 5.40 # r 1 1151000.0*2e 1 5961 HB3 30 TYR QE 6.70 # r 1 149850.0*2e 1 7444 HB3 31 ASP- HN 4.10 <# 2 423700.0 e 1 5367 HB3 32 LEU QD1 5.30 # 5M 473300.0 e 1 8660 HB3 32 LEU QD2 4.60 # 5M 1033000.0 e 1 7597 HB3 75 ILE HA 5.20 # 5 121400.0 e 1 9112 QD 30 TYR QE 7.50 # rr 1 913500.0*4e 1 7448 QD 31 ASP- HN 7.60 # r 5 75100.0*2e 1 9607 QD 32 LEU HG 6.60 # r 5 254150.0*2e 1 7898 QD 32 LEU QD2 7.40 # r 5M 396250.0*2e 1 6893 QD 71 SER HA 7.60 # r 5 71600.0*2e 1 8607 QD 74 PHE QB 7.20 # rm 5 427750.0*4e 1 8533 QD 74 PHE QD 9.30 # rr 5 103625.0*4e 1 8532 QE 32 LEU QD2 9.00 # r w 5M 30745.0*2e 1 8720 QE 71 SER HA 6.20 # r 5 404100.0*2e 1 7454 QE 71 SER QB 7.50 # rm 5 292500.0*4e 1 8003 QE 75 ILE QG2 8.80 # r 5M 99800.0*2e 1 8901 QE 75 ILE QD1 7.60 # r 5M 315550.0*2e 1 6680 31 ASP- HN 31 ASP- HA 3.90 # 2 580400.0 e 1 5364 HN 31 ASP- HB2 3.70 # 2 848300.0 e 1 5978 HN 31 ASP- HB3 3.40 # 2 1318000.0 e 1 5385 HN 32 LEU HN 4.70 # 2 197200.0 e 1 9596 HN 32 LEU QD1 7.00 # w 5M 56030.0 e 1 9251 HN 74 PHE QB 5.40 # m 5 316850.0*2e 1 7901 HN 75 ILE HA 4.00 # 4 318600.0 e 1 8636 HN 76 ILE HN 4.30 # 4 209300.0 e 1 8613 HN 76 ILE QG2 4.80 # 5M 872200.0 e 1 7902 HN 76 ILE HG12 5.30 ># 5 101600.0 e 1 9494 HN 76 ILE HG13 3.90 <# 5 679600.0 e 1 7878 HN 76 ILE QD1 6.20 # 5M 172300.0 e 1 7865 HA 31 ASP- HB2 3.60 # 2 873700.0 e 1 7022 HA 31 ASP- HB3 4.10 # 2 423900.0 e 1 5986 HA 32 LEU HN 3.10 # 2 2202000.0 e 1 5359 HA 32 LEU QD2 7.00 # w 5M 47080.0 e 1 8719 HA 33 THR HN 3.70 # 3 571000.0 e 1 6447 HB2 32 LEU HN 5.00 # 2 131100.0 e 1 8856 HB2 33 THR HN 3.80 # 3 483500.0 e 1 7472 HB2 76 ILE QD1 6.00 ># 5M 228200.0 e 1 9115 HB3 76 ILE QG2 4.80 # 5M 895500.0 e 1 7611 HB3 76 ILE HG13 4.90 # 5 167200.0 e 1 8200 HB3 76 ILE QD1 5.10 <# 5M 590300.0 e 1 7609 32 LEU HN 32 LEU HA 3.60 # 2 911500.0 e 1 5360 HN 32 LEU HB2 3.50 # 2 1177000.0 e 1 6002 HN 32 LEU HB3 3.80 # 2 669500.0 e 1 5997 HN 32 LEU HG 3.80 # 1 527500.0 e 1 5362 HN 32 LEU QD1 5.60 # 1M 292500.0 e 1 7114 HN 32 LEU QD2 5.50 # 1M 313600.0 e 1 5361 HN 33 THR HN 3.40 # 2 1320000.0 e 1 5357 HA 32 LEU HB2 3.90 # 2 591800.0 e 1 6003 HA 32 LEU HB3 3.60 # 2 979900.0 e 1 5998 HA 32 LEU HG 4.90 # 1 113000.0 e 1 8201 HA 32 LEU QD1 6.10 ># 1M 180500.0 e 1 6015 HA 32 LEU QD2 3.90 <# 1M 2697000.0 e 1 6021 HA 33 THR HN 4.10 # 2 423100.0 e 1 7471 HA 34 LYS+ HN 4.60 # 3 149200.0 e 1 8721 HA 35 PHE HN 3.90 # 3 445500.0 e 1 7197 HA 35 PHE HB2 3.90 # 3 436300.0 e 1 7201 HA 35 PHE QD 7.30 # r 5 103850.0*2e 1 7200 HA 74 PHE QD 7.50 # r 5 87650.0*2e 1 9365 HA 74 PHE QE 7.90 # r 5 51900.0*2e 1 9366 HB2 32 LEU QD1 4.50 # 1M 1128000.0 e 1 6701 HB2 32 LEU QD2 4.80 # 1M 722000.0 e 1 6019 HB2 33 THR HN 4.40 # 2 280800.0 e 1 7475 HB2 35 PHE HB2 5.00 # 5 155200.0 e 1 9016 HB2 35 PHE HB3 4.10 # 5 480800.0 e 1 9584 HB2 35 PHE QD 7.50 ># r 5 83150.0*2e 1 9017 HB3 32 LEU HG 3.50 # 1 996400.0 e 1 6000 HB3 32 LEU QD1 4.50 # 1M 1128000.0 e 1 7116 HB3 32 LEU QD2 4.30 # 1M 1465000.0 e 1 6020 HB3 33 THR HN 5.00 # 2 133000.0 e 1 8639 HB3 33 THR HA 6.00 # w 2 20920.0 e 1 9001 HB3 35 PHE HB2 4.00 # 5 548700.0 e 1 9595 HB3 35 PHE HB3 3.50 # 5 1359000.0 e 1 9593 HB3 35 PHE QD 6.20 <# r 5 435000.0*2e 1 7199 HG 32 LEU QD1 4.20 # 1M 1644000.0 e 1 7113 HG 32 LEU QD2 4.20 # 1M 1772000.0 e 1 6018 HG 33 THR HN 5.10 # 5 130100.0 e 1 7474 HG 35 PHE QD 8.00 # r w 5 39035.0*2e 1 9488 QD1 33 THR HN 7.00 ># w 5M 16980.0 e 1 6450 QD1 35 PHE HB3 5.40 # 5M 425500.0 e 1 9116 QD1 35 PHE QD 7.70 # r 5M 292300.0*2e 1 7198 QD1 117 LHEM HV2A 5.10 # 5M 603960.0 e 2 8637 QD1 117 LHEM HV2T 7.00 ># w 5M 69552.0 e 2 8566 QD1 117 LHEM HV2C 5.00 ># 5M 651560.0 e 2 8597 QD2 33 THR HN 6.10 <# 5M 202000.0 e 1 7879 QD2 35 PHE HA 6.90 # 5M 95000.0 e 1 8215 QD2 35 PHE HB2 5.00 # 5M 647900.0 e 1 7423 QD2 35 PHE HB3 4.90 # 5M 786800.0 e 1 9117 QD2 35 PHE QD 7.20 # r 5M 533500.0*2e 1 7202 QD2 71 SER HA 7.00 # 5M 87380.0 e 1 7436 QD2 74 PHE HN 6.70 # 5M 115700.0 e 1 8266 QD2 74 PHE QB 6.80 # m 5M 275300.0*2e 1 8773 QD2 74 PHE QD 7.10 # r 5M 564500.0*2e 1 6891 QD2 74 PHE QE 8.40 # r 5M 154100.0*2e 1 6892 QD2 74 PHE HZ 7.00 # w 5M 60680.0 e 1 7407 QD2 117 LHEM QM1 6.40 # 5M 145880.0 e 2 7433 QD2 117 LHEM HV2A 4.60 # 5M 1086960.0 e 2 8563 QD2 117 LHEM HV2T 5.00 <# 5M 635740.0 e 2 8561 QD2 117 LHEM HV2C 4.20 <# 5M 2020200.0 e 2 8562 33 THR HN 33 THR HA 3.40 # 2 1294000.0 e 1 5350 HN 33 THR HB 3.60 # 2 1015000.0 e 1 5351 HN 33 THR QG2 5.30 # 1M 395000.0 e 1 7473 HN 34 LYS+ HN 3.80 # 2 709400.0 e 1 8723 HN 35 PHE HN 4.50 # 3 189900.0 e 1 7178 HN 35 PHE HB2 5.30 # 3 70770.0 e 1 6554 HN 36 LEU HN 5.30 # 3 64580.0 e 1 9492 HA 33 THR QG2 4.10 # 1M 2052000.0 e 1 8204 HA 34 LYS+ HN 4.20 # 2 360900.0 e 1 7872 HA 35 PHE HN 4.40 # 3 198300.0 e 1 8220 HA 36 LEU HN 4.50 # 3 186200.0 e 1 7207 HA 36 LEU HG 3.90 # 5 667100.0 e 1 6729 HA 36 LEU QD1 4.60 <# 5M 1124000.0 e 1 6558 HA 36 LEU QD2 5.40 ># 5M 400900.0 e 1 9435 HB 33 THR QG2 4.30 # 1M 1461000.0 e 1 8203 HB 34 LYS+ HN 3.50 # 2 1132000.0 e 1 5347 QG2 34 LYS+ HN 5.40 # 5M 392300.0 e 1 7823 QG2 34 LYS+ HA 6.40 # 5M 154000.0 e 1 9007 QG2 34 LYS+ HB3 5.40 # 5M 408900.0 e 1 9008 QG2 35 PHE HN 7.00 # w 5M 32590.0 e 1 9002 34 LYS+ HN 34 LYS+ HA 3.70 # 2 854000.0 e 1 5346 HN 34 LYS+ HB2 3.40 <# 2 1407000.0 e 1 5349 HN 34 LYS+ HB3 3.90 ># 2 539300.0 e 1 8207 HN 34 LYS+ QG 5.00 # m 1 401550.0*2e 1 7874 HN 34 LYS+ QD 4.90 # m 1 467450.0*2e 1 5348 HN 35 PHE HN 3.30 # 2 1481000.0 e 1 6524 HN 35 PHE HB2 5.10 # 2 112400.0 e 1 8725 HN 36 LEU HN 4.50 # 3 176600.0 e 1 7181 HA 34 LYS+ HB2 3.80 # 2 679900.0 e 1 6033 HA 34 LYS+ HB3 3.70 # 2 805800.0 e 1 8208 HA 34 LYS+ QG 4.50 # i 1 472100.0*2e 1 9010 HA 34 LYS+ QD 4.60 # m 1 819500.0*2e 1 6030 HA 35 PHE HN 3.90 # 2 585700.0 e 1 8205 HA 36 LEU HN 4.80 # 3 123400.0 e 1 8823 HB2 34 LYS+ QG 4.30 # m 1 1287500.0*2e 1 9012 HB2 34 LYS+ QD 5.10 # m 1 367650.0*2e 1 6032 HB2 35 PHE HN 4.10 # 2 450300.0 e 1 9437 HB2 74 PHE QE 7.00 # r 5 147800.0*2e 1 9004 HB3 34 LYS+ QG 4.60 # m 1 801500.0*2e 1 9013 HB3 34 LYS+ QD 5.20 # m 1 311750.0*2e 1 8209 HB3 35 PHE HN 4.60 # 2 202700.0 e 1 9291 QG 34 LYS+ QD 5.70 # mm 1 643750.0*4e 1 9011 QG 35 PHE HN 6.30 # m 5 103550.0*2e 1 9438 QD 35 PHE HN 6.50 # m 5 86600.0*2e 1 7275 QD 74 PHE QE 9.00 # mrw 5 17980.0*4e 1 9005 35 PHE HN 35 PHE HA 3.40 # 2 1274000.0 e 1 5092 HN 35 PHE HB2 3.40 # 2 1327000.0 e 1 7026 HN 35 PHE HB3 3.40 # 2 1445000.0 e 1 6725 HN 35 PHE QD 6.50 # r 1 205100.0*2e 1 5093 HN 36 LEU HN 3.20 # 2 2071000.0 e 1 5091 HN 36 LEU HA 5.10 # 2 107600.0 e 1 9419 HN 36 LEU HB2 5.20 # 2 103200.0 e 1 9252 HN 36 LEU HG 4.60 # 5 247100.0 e 1 8731 HN 36 LEU QD1 7.00 # w 5M 37160.0 e 1 8729 HN 36 LEU QD2 7.00 # w 5M 25120.0 e 1 8730 HN 37 GLU- HN 4.70 # 3 135300.0 e 1 9577 HN 74 PHE QD 8.00 # r w 5 46250.0*2e 1 9021 HN 74 PHE QE 8.00 # r w 5 33080.0*2e 1 9254 HA 35 PHE HB2 3.20 # 2 1854000.0 e 1 6037 HA 35 PHE HB3 3.50 # 2 1135000.0 e 1 6040 HA 35 PHE QD 4.30 # m 1 1312000.0*2e 1 5111 HA 36 LEU HN 4.10 # 2 425200.0 e 1 5120 HA 37 GLU- HN 4.60 # 3 169100.0 e 1 7182 HA 38 GLU- HN 3.70 # 3 636200.0 e 1 7185 HA 38 GLU- HB2 3.80 # 3 546800.0 e 1 9411 HA 38 GLU- HB3 4.10 # 3 304500.0 e 1 9015 HA 38 GLU- HG2 5.10 ># 5 135000.0 e 1 9433 HA 38 GLU- HG3 4.20 <# 5 404600.0 e 1 9434 HA 39 HIS HN 4.40 # 3 201400.0 e 1 8738 HA 74 PHE QE 7.50 # r 5 85500.0*2e 1 8214 HA 74 PHE HZ 4.20 # 5 428800.0 e 1 8213 HB2 35 PHE QD 5.50 # r 1 993500.0*2e 1 5110 HB2 36 LEU HN 4.20 # 2 345000.0 e 1 8211 HB2 74 PHE QD 7.20 # r 5 118950.0*2e 1 7399 HB2 74 PHE QE 6.30 # r 5 365600.0*2e 1 7393 HB2 74 PHE HZ 3.90 # 5 636800.0 e 1 7404 HB3 35 PHE QD 5.70 # r 1 683000.0*2e 1 6041 HB3 36 LEU HN 4.20 # 2 392200.0 e 1 8210 HB3 74 PHE QE 6.90 # r 5 170750.0*2e 1 7395 HB3 74 PHE HZ 4.50 # 5 278400.0 e 1 7403 QD 36 LEU HN 8.00 # r w 5 40295.0*2e 1 8212 QD 36 LEU HG 7.00 # r 5 156300.0*2e 1 8736 QD 37 GLU- HN 8.00 # r w 5 27345.0*2e 1 8734 QD 38 GLU- HN 7.20 # r 5 121600.0*2e 1 7276 QD 38 GLU- HA 8.00 # r 5 48780.0*2e 1 8223 QD 38 GLU- HB2 6.20 # r 5 430750.0*2e 1 8222 QD 38 GLU- HB3 6.70 # r 5 202950.0*2e 1 7029 QD 38 GLU- HG2 6.50 # r 5 298000.0*2e 1 8224 QD 38 GLU- HG3 6.10 # r 5 529000.0*2e 1 6547 QD 74 PHE QE 9.40 # rr 5 90475.0*4e 1 8988 QD 74 PHE HZ 5.90 # r 5 665500.0*2e 1 7408 QD 117 LHEM QM1 7.60 # r 5M 337610.0*2e 2 7410 36 LEU HN 36 LEU HA 3.60 # 2 989200.0 e 1 9413 HN 36 LEU HB2 3.30 # 2 1652000.0 e 1 5122 HN 36 LEU HB3 3.80 # 2 726800.0 e 1 5123 HN 36 LEU HG 3.00 # 1 2470000.0 r 1 5121 HN 36 LEU QD1 5.10 # 1M 490300.0 e 1 7027 HN 36 LEU QD2 5.10 # 1M 524600.0 e 1 5124 HN 37 GLU- HN 3.70 # 2 815400.0 e 1 5374 HN 37 GLU- QG 7.00 # m w 5 28185.0*2e 1 9424 HA 36 LEU HB2 3.80 # 2 626500.0 e 1 9417 HA 36 LEU HB3 3.60 # 2 959600.0 e 1 9414 HA 36 LEU HG 3.50 # 1 925400.0 e 1 9418 HA 36 LEU QD1 5.80 ># 1M 242600.0 e 1 9415 HA 36 LEU QD2 4.00 <# 1M 2210000.0 e 1 9416 HA 37 GLU- HN 4.20 # 2 350900.0 e 1 9420 HA 39 HIS HN 4.00 # 3 355600.0 e 1 9491 HA 43 GLU- HA 4.70 # 4 120000.0 e 1 9421 HB2 36 LEU HG 3.00 # 1 2217000.0 e 1 6049 HB2 36 LEU QD1 4.20 # 1M 1730000.0 e 1 6052 HB2 36 LEU QD2 4.90 # 1M 656900.0 e 1 6047 HB2 37 GLU- HN 3.60 # 2 882000.0 e 1 9029 HB2 43 GLU- HB2 4.50 # 5 265300.0 e 1 9422 HB3 36 LEU HG 3.50 # 1 939900.0 e 1 6057 HB3 36 LEU QD1 3.90 # 1M 2578000.0 e 1 6056 HB3 36 LEU QD2 4.80 # 1M 715600.0 e 1 6055 HB3 37 GLU- HN 3.80 # 2 688500.0 e 1 5379 HB3 37 GLU- HA 6.00 # 2 43300.0 e 1 9278 HB3 43 GLU- HA 5.10 # 5 138400.0 e 1 8504 HB3 43 GLU- HB2 3.90 # 5 652500.0 e 1 8453 HB3 43 GLU- HB3 4.70 # 5 227300.0 e 1 9239 HG 36 LEU QD1 3.90 # 1M 2462000.0 e 1 6060 HG 36 LEU QD2 4.00 # 1M 2120000.0 e 1 6061 QD1 37 GLU- HN 5.90 # 5M 244200.0 e 1 7180 QD1 43 GLU- HA 7.00 ># w 5M 63540.0 e 1 9333 QD1 43 GLU- HB2 5.90 # 5M 252100.0 e 1 9025 QD1 47 ARG+ QB 8.00 # m w 5M 28145.0*2e 1 9234 QD1 47 ARG+ QD 8.00 # m w 5M 70200.0*2e 1 9235 QD2 37 GLU- HN 6.70 # 5M 108900.0 e 1 8221 QD2 38 GLU- HN 6.80 # 5M 105800.0 e 1 6552 QD2 43 GLU- HN 7.00 # w 5M 14690.0 e 1 9332 QD2 43 GLU- HA 5.50 <# 5M 369100.0 e 1 8454 QD2 43 GLU- HB2 5.30 # 5M 488600.0 e 1 9330 QD2 43 GLU- HB3 6.10 # 5M 207100.0 e 1 9238 QD2 46 LEU HN 7.00 # w 5M 76190.0 e 1 8449 QD2 46 LEU QB 6.70 # m 5M 293850.0*2e 1 9316 QD2 46 LEU HG 5.80 # 5M 267500.0 e 1 9317 QD2 47 ARG+ HN 5.10 # 5M 609000.0 e 1 8618 QD2 47 ARG+ HA 7.00 # 5M 83400.0 e 1 9237 QD2 47 ARG+ QB 8.00 # m w 5M 63050.0*2e 1 9233 37 GLU- HN 37 GLU- HA 3.30 # 2 1526000.0 e 1 5157 HN 37 GLU- HB2 3.40 # 2 1407000.0 e 1 5159 HN 37 GLU- HB3 3.20 # 2 1754000.0 e 1 6073 HN 37 GLU- QG 4.70 # m 1 712000.0*2e 1 5158 HN 38 GLU- HN 3.30 # 2 1487000.0 e 1 5155 HA 37 GLU- HB2 3.30 # 2 1669000.0 e 1 6075 HA 37 GLU- HB3 3.40 # 2 1441000.0 e 1 6076 HA 37 GLU- QG 4.40 # i 1 576500.0*2e 1 6074 HA 38 GLU- HN 4.20 # 2 359300.0 e 1 9041 HB2 37 GLU- QG 4.60 # m 1 789000.0*2e 1 6079 HB2 38 GLU- HN 4.00 # 2 487000.0 e 1 6551 HB3 37 GLU- QG 4.20 # m 1 1533000.0*2e 1 6077 HB3 38 GLU- HN 4.20 # 2 391400.0 e 1 9265 QG 38 GLU- HN 6.40 # m 5 94400.0*2e 1 9263 38 GLU- HN 38 GLU- HA 3.40 # 2 1325000.0 e 1 5163 HN 38 GLU- HB2 3.30 <# 2 1718000.0 e 1 5164 HN 38 GLU- HB3 3.90 ># 2 614700.0 e 1 5165 HN 38 GLU- HG2 4.30 # 1 268300.0 e 1 8087 HN 38 GLU- HG3 4.00 # 1 427500.0 e 1 5166 HN 39 HIS HN 4.20 # 2 345100.0 e 1 6873 HN 39 HIS HA 5.00 # 2 123200.0 e 1 8226 HA 38 GLU- HB2 3.20 # 2 1810000.0 e 1 7755 HA 38 GLU- HB3 3.20 # 2 1853000.0 e 1 7752 HA 38 GLU- HG2 4.20 # 1 293100.0 e 1 8089 HA 38 GLU- HG3 4.10 # 1 359000.0 e 1 8090 HB2 39 HIS HN 4.90 # 2 151900.0 e 1 9119 HB3 39 HIS HN 5.00 # 2 131000.0 e 1 9120 39 HIS HN 39 HIS HA 3.40 # 2 1284000.0 e 1 6871 HA 39 HIS HB2 4.00 # 2 486500.0 e 1 6872 HA 40 PRO HB2 5.60 # 2 63710.0 e 1 9260 HA 40 PRO HB3 5.30 # 2 84930.0 e 1 9259 40 PRO HA 40 PRO HB2 4.00 # 2 502500.0 e 1 7325 HA 40 PRO HB3 3.70 # 2 828600.0 e 1 9297 HA 40 PRO HG3 3.70 # 1 621800.0 e 1 7323 HB2 40 PRO HG2 4.10 # 1 350100.0 e 1 7756 HB3 40 PRO HG2 5.60 # 1 54950.0 e 1 7758 HB3 117 LHEM HAP71 3.60 # 5 1176980.0 e 2 8644 HG2 117 LHEM HAP71 3.90 # 5 658700.0 e 2 8656 HG2 117 LHEM HBP74 3.00 # 5 3119200.0 e 2 8634 HG2 117 LHEM QM8 5.00 # 5M 655760.0 e 2 8659 41 GLY HN 41 GLY HA1 4.10 # 2 428300.0 e 1 9686 HN 41 GLY HA2 4.00 # 2 475600.0 e 1 9687 HA1 117 LHEM HBM 4.70 # 5 211100.0 e 1 9688 42 GLY HN 42 GLY HA1 3.60 # 2 981700.0 e 1 6138 HN 42 GLY HA2 3.70 # 2 769900.0 e 1 6139 HN 43 GLU- HN 4.90 # 2 138000.0 e 1 6876 HA1 43 GLU- HN 3.30 # 2 1619000.0 e 1 5054 HA1 43 GLU- HA 4.80 # 2 157700.0 e 1 9761 HA1 43 GLU- HB2 4.70 # 2 177700.0 e 1 9691 HA1 43 GLU- HB3 5.90 # 2 44710.0 e 1 9692 HA1 44 GLU- HN 4.50 # 3 184400.0 e 1 7213 HA2 43 GLU- HN 3.40 # 2 1306000.0 e 1 5055 HA2 43 GLU- HB2 5.30 # 2 87760.0 e 1 9690 HA2 44 GLU- HN 4.30 # 3 222700.0 e 1 5066 43 GLU- HN 43 GLU- HA 3.70 # 2 831200.0 e 1 5061 HN 43 GLU- HB2 3.40 # 2 1383000.0 e 1 5062 HN 43 GLU- HB3 3.60 # 2 863300.0 e 1 5063 HN 44 GLU- HN 3.50 # 2 1063000.0 e 1 7215 HN 44 GLU- HA 5.40 # 2 83490.0 e 1 9696 HN 44 GLU- HB2 5.20 # 2 100100.0 e 1 9695 HN 44 GLU- QG 7.00 # m w 5 16560.0*2e 1 9282 HN 45 VAL HN 5.90 # 3 34460.0 e 1 8825 HA 43 GLU- HB2 3.60 # 2 896100.0 e 1 6142 HA 43 GLU- HB3 3.40 # 2 1305000.0 e 1 6147 HA 44 GLU- HN 4.30 # 2 315900.0 e 1 5067 HA 45 VAL HN 6.00 # 3 33290.0 e 1 7218 HA 46 LEU HN 4.10 # 3 300100.0 e 1 7172 HA 46 LEU QB 5.60 # m 3 153800.0*2e 1 6810 HA 46 LEU HG 5.10 # 5 129400.0 e 1 8445 HA 47 ARG+ HN 5.00 # 3 92640.0 e 1 7165 HB2 44 GLU- HN 3.90 # 2 604400.0 e 1 7168 HB2 47 ARG+ QB 6.20 # m 5 116800.0*2e 1 8860 HB3 44 GLU- HN 4.10 # 2 436900.0 e 1 7167 44 GLU- HN 44 GLU- HA 3.40 # 2 1230000.0 e 1 5068 HN 44 GLU- HB2 3.10 # 2 2346000.0 e 1 5070 HN 44 GLU- HB3 3.50 # 2 1069000.0 e 1 6154 HN 44 GLU- QG 4.70 # m 1 615000.0*2e 1 8846 HN 45 VAL HN 3.60 # 2 898200.0 e 1 6795 HN 45 VAL HA 6.00 # w 2 1782.0 e 1 8946 HN 46 LEU HN 5.30 # 3 65080.0 e 1 7223 HN 47 ARG+ HN 5.90 # 3 33500.0 e 1 8796 HN 47 ARG+ QB 7.00 # m w 3 23020.0*2e 1 8833 HA 44 GLU- HB2 3.30 # 2 1625000.0 e 1 6156 HA 44 GLU- HB3 3.30 # 2 1666000.0 e 1 6155 HA 44 GLU- QG 4.20 # i 1 782000.0*2e 1 8843 HA 45 VAL HN 4.30 # 2 323500.0 e 1 8451 HA 46 LEU HN 4.60 # 3 159300.0 e 1 7166 HA 47 ARG+ HN 3.70 # 3 618900.0 e 1 7171 HA 47 ARG+ QB 4.50 # m 3 890000.0*2e 1 6804 HA 47 ARG+ QD 7.00 # m w 5 15870.0*2e 1 6611 HA 48 ALA HN 4.30 # 3 240100.0 e 1 7225 HB2 44 GLU- QG 3.70 <# m 1 4619000.0*2e 1 8847 HB2 45 VAL HN 3.90 # 2 553200.0 e 1 6794 HB3 44 GLU- QG 4.20 ># m 1 1725500.0*2e 1 8845 HB3 45 VAL HN 3.80 # 2 705600.0 e 1 6619 HB3 47 ARG+ HN 5.60 # 3 48980.0 e 1 8986 HB3 47 ARG+ QB 7.00 # m w 5 11420.0*2e 1 6805 QG 45 VAL HN 5.30 # m 5 357000.0*2e 1 9149 QG 47 ARG+ HN 7.00 # m w 5 37545.0*2e 1 8987 QG 47 ARG+ QB 6.90 # mm 5 173000.0*4e 1 9335 45 VAL HN 45 VAL HA 3.40 # 2 1240000.0 e 1 5074 HN 45 VAL HB 3.60 # 2 994600.0 e 1 5075 HN 45 VAL QG1 4.80 # 1M 752200.0 e 1 5077 HN 45 VAL QG2 4.40 # 1M 1257000.0 e 1 5076 HN 46 LEU HN 3.60 # 2 868900.0 e 1 5073 HN 47 ARG+ HN 4.80 # 3 121000.0 e 1 7230 HN 48 ALA HN 6.00 # w 3 5845.0 e 1 8790 HN 48 ALA QB 6.00 # 3M 50450.0 e 1 8837 HA 45 VAL HB 3.10 # 2 2335000.0 e 1 6165 HA 45 VAL QG1 4.60 # 1M 959800.0 e 1 6170 HA 45 VAL QG2 4.40 # 1M 1232000.0 e 1 6161 HA 46 LEU HN 4.30 # 2 311400.0 e 1 6615 HA 47 ARG+ HN 5.00 # 3 98100.0 e 1 8800 HA 48 ALA HN 4.10 # 3 341600.0 e 1 8797 HA 48 ALA QB 3.60 # 3M 1274000.0 e 1 8851 HA 49 GLN HN 5.00 # 3 100300.0 e 1 8838 HB 45 VAL QG1 4.60 # 1M 942200.0 e 1 6163 HB 45 VAL QG2 4.30 # 1M 1469000.0 e 1 6164 HB 46 LEU HN 5.00 # 2 132600.0 e 1 8835 QG1 46 LEU HN 5.80 # 5M 268200.0 e 1 6616 QG1 117 LHEM QM5 4.20 # 5M 1849400.0 e 2 8683 QG2 46 LEU HN 5.60 # 5M 317100.0 e 1 6993 QG2 117 LHEM QM5 4.80 # 5M 881020.0 e 2 8684 46 LEU HN 46 LEU HA 3.80 # 2 717800.0 e 1 5087 HN 46 LEU QB 4.20 # i 2 987500.0*2e 1 5429 HN 46 LEU HG 3.80 # 1 608400.0 e 1 5430 HN 47 ARG+ HN 3.20 # 2 1989000.0 e 1 5432 HN 47 ARG+ HA 6.00 # w 2 28640.0 e 1 8853 HN 47 ARG+ QB 5.90 # m 2 139000.0*2e 1 7232 HN 48 ALA HN 4.60 # 3 152700.0 e 1 7957 HN 48 ALA QB 6.60 # 3M 30980.0 e 1 9323 HN 49 GLN HN 6.00 # w 3 17490.0 e 1 8535 HA 46 LEU QB 4.40 # m 2 1386500.0*2e 1 6174 HA 46 LEU HG 3.50 # 1 855000.0 e 1 6175 HA 47 ARG+ HN 4.30 # 2 340500.0 e 1 7231 HA 49 GLN HN 4.30 # 3 237000.0 e 1 7170 HA 49 GLN HB2 4.80 # 3 121800.0 e 1 8795 HA 117 LHEM QM3 4.90 # 5M 777560.0 e 2 8629 QB 46 LEU HG 4.30 # m 1 1334000.0*2e 1 6178 QB 47 ARG+ HN 4.70 # m 2 846500.0*2e 1 6815 QB 48 ALA HN 6.40 # m 3 62500.0*2e 1 8801 QB 117 LHEM HAM 5.50 # m 5 290290.0*2e 2 8651 QB 117 LHEM QM3 6.30 # m 5M 471030.0*2e 2 8620 HG 47 ARG+ HN 4.30 # 5 365000.0 e 1 8442 HG 117 LHEM QM3 4.70 # 5M 910000.0 e 2 8626 47 ARG+ HN 47 ARG+ HA 3.20 # 2 1799000.0 e 1 7124 HN 47 ARG+ QB 4.00 # i 2 1376500.0*2e 1 6184 HN 47 ARG+ QG 5.00 # m 1 430950.0*2e 1 6185 HN 47 ARG+ QD 6.10 # m 1 99950.0*2e 1 7220 HN 48 ALA HN 3.20 # 2 1751000.0 e 1 6480 HN 49 GLN HN 5.30 # 3 70470.0 e 1 8545 HN 50 ALA QB 7.00 # w 3M 12920.0 e 1 8840 HA 47 ARG+ QB 4.10 # i 2 1114000.0*2e 1 6816 HA 47 ARG+ QG 4.60 # i 1 440400.0*2e 1 6187 HA 47 ARG+ QD 6.00 # m 1 108000.0*2e 1 6182 HA 48 ALA HN 4.00 # 2 483200.0 e 1 9042 HA 49 GLN HN 4.60 # 3 162400.0 e 1 8439 HA 50 ALA HN 3.80 # 3 487300.0 e 1 8421 HA 50 ALA QB 3.70 # 3M 966000.0 e 1 8423 QB 47 ARG+ QG 5.30 # mm 1 1292250.0*4e 1 7128 QB 47 ARG+ QD 5.70 # mm 1 641750.0*4e 1 6180 QB 48 ALA HN 4.60 # m 2 873500.0*2e 1 6375 QB 50 ALA HN 7.00 # m w 3 9230.0*2e 1 8839 QG 47 ARG+ QD 6.20 # mm 1 311250.0*4e 1 7127 QG 48 ALA HN 6.00 # m 5 149900.0*2e 1 8437 QD 48 ALA HN 5.20 # m 5 422300.0*2e 1 7958 48 ALA HN 48 ALA HA 3.40 # 2 1362000.0 e 1 6192 HN 48 ALA QB 3.50 # s 2M 3727000.0 e 1 5439 HN 49 GLN HN 3.40 # 2 1283000.0 e 1 6191 HN 49 GLN HG2 4.70 # 5 224600.0 e 1 8981 HN 50 ALA HN 4.60 # 3 166500.0 e 1 6818 HN 50 ALA QB 6.00 # 3M 54810.0 e 1 8436 HA 48 ALA QB 3.50 # s 2M 2146000.0 e 1 6193 HA 49 GLN HN 3.90 # 2 572700.0 e 1 8433 HA 50 ALA HN 5.30 # 3 65780.0 e 1 8432 QB 49 GLN HN 3.70 # 2M 1125000.0 e 1 9043 QB 49 GLN HA 6.00 # 2M 54140.0 e 1 9044 QB 49 GLN QE2 7.80 # m 5M 105550.0*2e 1 9324 QB 50 ALA HN 5.20 # 3M 132300.0 e 1 9325 49 GLN HN 49 GLN HA 3.60 # 2 881100.0 e 1 5445 HN 49 GLN HB2 3.40 # 2 1245000.0 e 1 5448 HN 49 GLN HB3 3.80 # 2 627700.0 e 1 5449 HN 49 GLN HG2 3.40 <# 1 1196000.0 e 1 5447 HN 49 GLN HG3 3.90 ># 1 465800.0 e 1 5446 HN 50 ALA HN 3.00 # 2 2851000.0 e 1 5443 HN 50 ALA HA 5.20 # 2 99150.0 e 1 7169 HN 50 ALA QB 4.80 # 2M 212100.0 e 1 6839 HN 54 ALA QB 7.00 # w 5M 80290.0 e 1 9127 HA 49 GLN HB2 3.70 # 2 802600.0 e 1 6845 HA 49 GLN HB3 4.00 # 2 474600.0 e 1 8231 HA 49 GLN HG2 3.70 # 1 693600.0 e 1 8230 HA 49 GLN HG3 3.80 # 1 549400.0 e 1 6826 HA 49 GLN QE2 6.20 # i 1 52100.0*2e 1 9322 HA 50 ALA HN 3.90 # 2 595500.0 e 1 5453 HA 50 ALA QB 6.10 # 2M 50930.0 e 1 6841 HB2 49 GLN HG2 3.50 # 1 908600.0 e 1 7761 HB2 49 GLN HG3 2.90 # 1 2799000.0 e 1 6848 HB2 49 GLN QE2 6.70 # m 1 48880.0*2e 1 9318 HB2 50 ALA HN 4.50 # 2 232100.0 e 1 7821 HB2 50 ALA QB 7.00 # w 5M 27710.0 e 1 6847 HB2 54 ALA QB 5.40 # 5M 399600.0 e 1 9123 HB3 49 GLN HG2 3.80 # 1 585600.0 e 1 8232 HB3 49 GLN HG3 3.30 # 1 1268000.0 e 1 9045 HB3 49 GLN QE2 6.20 # m 1 79750.0*2e 1 9319 HB3 54 ALA QB 5.20 # 5M 524500.0 e 1 9124 HG2 49 GLN QE2 5.40 <# m 1 233200.0*2e 1 9321 HG2 50 ALA HN 4.90 # 5 170400.0 e 1 7819 HG2 54 ALA QB 6.40 ># 5M 146700.0 e 1 9126 HG3 49 GLN QE2 6.10 ># m 1 92400.0*2e 1 9320 HG3 50 ALA HN 5.50 # 5 86180.0 e 1 7820 HG3 54 ALA QB 4.90 <# 5M 720300.0 e 1 9125 50 ALA HN 50 ALA HA 3.60 # 2 1011000.0 e 1 5452 HN 50 ALA QB 3.50 # s 2M 2945000.0 e 1 5451 HN 51 GLY HN 4.80 # 2 162500.0 e 1 7674 HA 50 ALA QB 3.50 # s 2M 3029000.0 e 1 6307 HA 51 GLY HN 2.80 # 2 4204000.0 e 1 6858 HA 52 GLY HN 3.70 # 3 557600.0 e 1 8429 QB 51 GLY HN 3.60 # 2M 1173000.0 e 1 5083 QB 52 GLY HN 5.50 # 3M 85010.0 e 1 7841 51 GLY HN 51 GLY HA1 3.50 # 2 1130000.0 e 1 6314 HN 51 GLY HA2 3.70 # 2 806200.0 e 1 5081 HN 52 GLY HN 3.40 # 2 1270000.0 e 1 6859 HA2 52 GLY HN 4.20 # 2 351200.0 e 1 6860 52 GLY HN 52 GLY HA1 3.50 # 2 1204000.0 e 1 5471 HN 52 GLY HA2 3.20 # 2 1924000.0 e 1 5470 HN 53 ASP- HN 5.10 # 2 117900.0 e 1 8938 HA1 53 ASP- HN 3.30 # 2 1628000.0 e 1 9292 HA2 53 ASP- HN 3.20 # 2 2074000.0 e 1 8127 53 ASP- HN 53 ASP- HA 4.00 # 2 491600.0 e 1 9666 HN 53 ASP- HB2 3.30 # 2 1672000.0 e 1 7575 HN 53 ASP- HB3 3.50 # 2 1109000.0 e 1 8124 HA 54 ALA HN 3.70 # 2 800000.0 e 1 9200 HB3 54 ALA HN 4.20 # 2 381000.0 e 1 9197 54 ALA HN 54 ALA HA 3.60 # 2 970000.0 e 1 7176 HN 54 ALA QB 3.50 # s 2M 1800000.0 e 1 7177 HN 55 THR HN 3.70 # 2 776900.0 e 1 7175 HN 55 THR HA 5.70 # 2 55920.0 e 1 8695 HN 55 THR HB 5.00 # 2 133800.0 e 1 9201 HN 55 THR QG2 7.00 # w 5M 72090.0 e 1 8623 HN 56 ALA HN 5.80 # 3 39210.0 e 1 9202 HA 54 ALA QB 3.50 # s 2M 2911000.0 e 1 6327 HA 55 THR HN 3.90 # 2 538800.0 e 1 6322 HA 56 ALA HN 4.60 # 3 155600.0 e 1 7239 HA 57 ASN HN 4.10 # 3 312700.0 e 1 7240 HA 57 ASN HB2 3.50 # 3 840100.0 e 1 7242 HA 57 ASN HD21 6.00 # 5 49450.0 e 1 8710 HA 57 ASN HD22 6.00 # w 5 24940.0 e 1 9372 HA 58 PHE HN 4.60 # 3 167300.0 e 1 8699 QB 55 THR HN 5.00 # 2M 177800.0 e 1 6323 QB 55 THR HA 5.30 # 2M 114900.0 e 1 8697 QB 56 ALA HN 7.00 # w 3M 3045.0 e 1 8604 QB 57 ASN HN 5.20 # 3M 131600.0 e 1 7661 QB 57 ASN HB2 4.20 # 5M 1858000.0 e 1 7241 QB 57 ASN HD21 7.00 # w 5M 52870.0 e 1 8700 QB 58 PHE HN 4.40 # 3M 331100.0 e 1 8698 QB 117 LHEM QM3 4.00 # 5M 2660000.0 e 2 8653 55 THR HN 55 THR HA 3.60 # 2 970600.0 e 1 6592 HN 55 THR HB 3.10 # 2 2467000.0 e 1 5476 HN 55 THR QG2 5.40 # 1M 362300.0 e 1 5475 HN 56 ALA HN 3.90 # 2 571000.0 e 1 8708 HN 57 ASN HN 5.40 # 3 57690.0 e 1 8971 HN 57 ASN HD21 5.40 # 5 90650.0 e 1 8705 HA 55 THR HB 4.30 # 2 326700.0 e 1 8241 HA 55 THR QG2 4.00 # 1M 2330000.0 e 1 6594 HA 56 ALA HN 4.50 # 2 250300.0 e 1 8468 HA 57 ASN HN 5.80 # 3 38300.0 e 1 8703 HA 58 PHE HN 3.90 # 3 413700.0 e 1 7246 HA 59 GLU- HN 5.20 # 3 72080.0 e 1 8942 HB 55 THR QG2 3.80 # 1M 3067000.0 e 1 6593 HB 56 ALA HN 3.20 # 2 2052000.0 e 1 5473 HB 56 ALA QB 6.70 # 5M 111000.0 e 1 9203 HB 57 ASN HN 5.50 # 3 51990.0 e 1 8704 QG2 56 ALA HN 5.30 # 5M 476000.0 e 1 5474 QG2 56 ALA HA 5.40 # 5M 421700.0 e 1 7245 QG2 56 ALA QB 6.50 # m 5M 364000.0 e 1 8472 QG2 57 ASN HN 7.00 # w 5M 31390.0 e 1 8706 QG2 59 GLU- HN 7.00 # 5M 83680.0 e 1 7658 QG2 59 GLU- HB2 7.00 # w 5M 69330.0 e 1 9128 QG2 59 GLU- HB3 7.00 # w 5M 41300.0 e 1 9129 QG2 59 GLU- HG3 4.70 # 5M 1016000.0 e 1 8944 56 ALA HN 56 ALA HA 3.50 # 2 1192000.0 e 1 5472 HN 56 ALA QB 3.50 # s 2M 3125000.0 e 1 223 HN 57 ASN HN 3.40 # 2 1267000.0 e 1 5320 HN 58 PHE HN 4.90 # 3 113000.0 e 1 9205 HA 56 ALA QB 3.50 # s 2M 1388000.0 e 1 6332 HA 57 ASN HN 4.10 # 2 418700.0 e 1 8466 HA 58 PHE HN 4.80 # 3 118100.0 e 1 9206 HA 59 GLU- HN 3.70 # 3 566400.0 e 1 7251 HA 59 GLU- HB2 4.60 ># 3 149800.0 e 1 9209 HA 59 GLU- HB3 3.50 <# 3 862200.0 e 1 9207 HA 60 ALA HN 5.00 # 3 98060.0 e 1 8715 QB 57 ASN HN 3.50 # s 2M 1738000.0 e 1 7249 QB 57 ASN HD21 7.00 # w 5M 33980.0 e 1 8709 QB 59 GLU- HN 7.00 # w 3M 6537.0 e 1 8970 QB 60 ALA HN 6.00 # 3M 52010.0 e 1 8716 57 ASN HN 57 ASN HA 3.40 # 2 1415000.0 e 1 5323 HN 57 ASN HB2 3.10 # 2 2203000.0 e 1 5530 HN 57 ASN HB3 3.60 # 2 994700.0 e 1 5324 HN 57 ASN HD21 4.70 <# 1 159400.0 e 1 8242 HN 57 ASN HD22 6.00 ># w 1 21400.0 e 1 8961 HN 58 PHE HN 3.30 # 2 1598000.0 e 1 6983 HN 59 GLU- HN 4.90 # 3 106100.0 e 1 7256 HN 60 ALA HN 5.90 # 3 33510.0 e 1 8969 HN 60 ALA QB 6.10 # 3M 48950.0 e 1 8968 HA 57 ASN HB2 4.10 ># 2 450000.0 e 1 6340 HA 57 ASN HB3 3.50 <# 2 1141000.0 e 1 7132 HA 57 ASN HD21 4.40 <# 1 221700.0 e 1 6337 HA 57 ASN HD22 5.20 ># 1 81510.0 e 1 8474 HA 58 PHE HN 4.10 # 2 402000.0 e 1 7254 HA 59 GLU- HN 6.00 # w 3 22690.0 e 1 8966 HA 60 ALA HN 4.30 # 3 239700.0 e 1 7033 HA 60 ALA QB 4.60 # 3M 280900.0 e 1 9211 HB2 57 ASN HD21 3.40 # 1 1152000.0 e 1 6339 HB2 57 ASN HD22 4.60 # 1 171700.0 e 1 8476 HB2 58 PHE HN 3.80 # 2 693600.0 e 1 7252 HB3 57 ASN HD21 4.00 # 1 392200.0 e 1 6343 HB3 57 ASN HD22 4.70 # 1 161300.0 e 1 8475 HB3 58 PHE HN 4.20 # 2 347500.0 e 1 7253 58 PHE HN 58 PHE QB 4.30 # i 2 745500.0*2e 1 6600 HN 58 PHE QD 7.20 # r 1 85000.0*2e 1 9752 HN 59 GLU- HN 3.40 # 2 1338000.0 e 1 6758 HN 59 GLU- HB3 5.50 # 2 75200.0 e 1 9215 HN 59 GLU- HG2 5.30 ># 5 100100.0 e 1 9487 HN 59 GLU- HG3 4.10 <# 5 518500.0 e 1 7747 HN 60 ALA HN 4.60 # 3 168400.0 e 1 9756 QB 59 GLU- HN 4.80 # m 2 699500.0*2e 1 9753 QB 60 ALA HN 6.90 # m 3 36745.0*2e 1 9213 QD 58 PHE QE 8.50 # rr 1 210150.0*4e 1 7439 QD 58 PHE HZ 6.70 # r 1 153650.0*2e 1 8478 QE 58 PHE HZ 5.80 # r 1 587000.0*2e 1 5565 HZ 68 ARG+ HB3 4.40 # 5 338700.0 e 1 9603 59 GLU- HN 59 GLU- HA 4.80 # 2 168400.0 e 1 6349 HN 59 GLU- HB2 3.80 # 2 677600.0 e 1 5537 HN 59 GLU- HB3 3.40 # 2 1303000.0 e 1 5538 HN 59 GLU- HG2 3.80 # 1 567600.0 e 1 6351 HN 59 GLU- HG3 3.40 # 1 1116000.0 e 1 5536 HN 60 ALA HN 3.40 # 2 1446000.0 e 1 7768 HN 60 ALA QB 5.10 # 2M 159700.0 e 1 9309 HN 61 VAL HN 4.50 # 3 181400.0 e 1 9216 HA 59 GLU- HB2 3.40 # 2 1446000.0 e 1 6366 HA 59 GLU- HB3 3.70 # 2 790900.0 e 1 6365 HA 59 GLU- HG2 4.00 # 1 414000.0 e 1 6355 HA 59 GLU- HG3 4.20 # 1 309900.0 e 1 6368 HA 60 ALA HN 4.20 # 2 362200.0 e 1 7258 HA 61 VAL HN 4.60 # 3 167700.0 e 1 7644 HA 62 GLY HN 4.90 # 3 114900.0 e 1 7642 HB2 59 GLU- HG2 4.00 # 1 391200.0 e 1 6371 HB2 59 GLU- HG3 3.80 # 1 605600.0 e 1 6370 HB2 60 ALA HN 3.90 # 2 560000.0 e 1 7653 HB3 59 GLU- HG2 3.60 # 1 744900.0 e 1 6359 HB3 59 GLU- HG3 3.60 # 1 835800.0 e 1 6358 HB3 60 ALA HN 3.40 # 2 1253000.0 e 1 7652 HG2 60 ALA HN 6.00 # w 5 0.0 e 1 7650 HG3 60 ALA HN 4.30 # 5 353900.0 e 1 7651 60 ALA HN 60 ALA HA 3.40 # 2 1237000.0 e 1 5329 HN 60 ALA QB 3.50 # s 2M 2830000.0 e 1 6290 HN 61 VAL HN 3.30 # 2 1607000.0 e 1 6637 HA 60 ALA QB 3.50 # s 2M 4660000.0 e 1 6293 HA 61 VAL HN 3.90 # 2 613400.0 e 1 8479 QB 61 VAL HN 3.70 # 2M 987200.0 e 1 7767 QB 61 VAL HA 5.10 # 2M 151000.0 e 1 7769 QB 62 GLY HN 5.70 # 3M 68850.0 e 1 9214 61 VAL HN 61 VAL HA 3.30 # 2 1580000.0 e 1 5464 HN 62 GLY HN 3.50 # 2 1114000.0 e 1 7643 HN 62 GLY HA1 5.10 # 2 107500.0 e 1 9762 HA 62 GLY HN 3.90 # 2 560700.0 e 1 9218 HA 117 LHEM HBP63 4.70 # 5 214800.0 e 1 9689 62 GLY HN 62 GLY HA1 3.40 # 2 1297000.0 e 1 7265 HN 62 GLY HA2 3.70 # 2 798000.0 e 1 5466 HN 63 HIS HN 4.40 # 2 275400.0 e 1 9585 HA1 63 HIS HN 5.80 # 2 54220.0 e 1 9586 63 HIS HN 63 HIS HA 6.00 # w 2 0.0 e 1 9677 HN 63 HIS HB2 3.70 # 2 850500.0 e 2 6297 HA 64 SER HN 3.60 # 2 872060.0 e 2 7152 64 SER HN 64 SER HA 4.70 # 2 187300.0 e 1 1212 HN 64 SER HB2 5.00 ># 2 132400.0 e 1 7149 HN 64 SER HB3 3.70 <# 2 816620.0 e 2 6905 HN 65 THR HN 5.10 # 2 115600.0 e 1 8407 HN 66 ASP- HN 5.60 # 3 48650.0 e 1 8408 HN 67 ALA HN 5.30 # 3 63960.0 e 1 7260 HA 64 SER HB2 4.10 # 2 404400.0 e 1 7133 HA 64 SER HB3 3.90 # 2 560500.0 e 1 6906 HA 65 THR HN 3.30 # 2 1712000.0 e 1 5000 HA 66 ASP- HN 4.10 # 3 331700.0 e 1 8409 HA 67 ALA HN 4.40 # 3 204700.0 e 1 7659 HA 68 ARG+ HN 6.00 # 3 32220.0 e 1 7263 HB2 65 THR HN 3.60 # 2 959700.0 e 1 8406 HB2 66 ASP- HN 3.90 # 3 421600.0 e 1 8410 HB3 65 THR HN 4.00 # 2 470700.0 e 1 8405 HB3 66 ASP- HN 4.30 # 3 249300.0 e 1 8411 65 THR HN 65 THR HA 4.60 # 2 217600.0 e 1 5568 HN 65 THR HB 3.80 # 2 663000.0 e 1 7031 HN 66 ASP- HN 3.80 # 2 695300.0 e 1 8751 HN 67 ALA HN 5.00 # 3 96310.0 e 1 8805 HA 65 THR HB 3.70 # 2 816200.0 e 1 7135 HA 66 ASP- HN 3.50 # 2 1034000.0 e 1 7164 HA 67 ALA HN 4.50 # 3 174100.0 e 1 8804 HA 68 ARG+ HN 3.50 # 3 835300.0 e 1 8798 HA 68 ARG+ HB2 3.40 # 3 1033000.0 e 1 9195 HA 68 ARG+ HB3 3.70 # 3 586000.0 e 1 9193 HA 68 ARG+ HG2 6.00 ># w 5 23490.0 e 1 9191 HA 68 ARG+ HG3 5.30 <# 5 99470.0 e 1 9194 HA 68 ARG+ HD2 5.70 # 5 68170.0 e 1 9192 HA 69 GLU- HN 4.10 # 3 328200.0 e 1 7163 HB 66 ASP- HN 4.30 # 2 309800.0 e 1 8284 HB 67 ALA HN 6.00 # w 3 17020.0 e 1 9220 HB 68 ARG+ HN 6.00 # w 3 27030.0 e 1 8806 66 ASP- HN 66 ASP- HA 3.90 # 2 569400.0 e 1 5496 HN 66 ASP- HB2 3.30 # 2 1597000.0 e 1 5495 HN 66 ASP- HB3 3.80 # 2 721800.0 e 1 5494 HN 67 ALA HN 3.50 # 2 1070000.0 e 1 8750 HN 69 GLU- HN 4.60 # 3 157200.0 e 1 8862 HA 66 ASP- HB2 3.90 ># 2 608800.0 e 1 7159 HA 66 ASP- HB3 3.30 <# 2 1715000.0 e 1 7156 HA 67 ALA HN 4.20 # 2 358900.0 e 1 8807 HA 68 ARG+ HN 5.50 # 3 53140.0 e 1 8810 HA 69 GLU- HN 4.40 # 3 205100.0 e 1 8799 HA 69 GLU- HB2 3.50 # 3 883400.0 e 1 7924 HA 69 GLU- HB3 3.70 # 3 574900.0 e 1 7925 HA 70 LEU HN 4.50 # 3 181500.0 e 1 8811 HB2 67 ALA HN 3.50 # 2 1065000.0 e 1 6912 HB2 68 ARG+ HN 5.30 # 3 67680.0 e 1 8809 HB3 67 ALA HN 3.80 # 2 645500.0 e 1 9578 HB3 68 ARG+ HN 5.90 # 3 35360.0 e 1 8808 67 ALA HN 67 ALA HA 3.90 # 2 589500.0 e 1 5177 HN 67 ALA QB 4.00 # 2M 630200.0 e 1 5178 HN 68 ARG+ HN 3.50 # 2 1121000.0 e 1 6924 HN 69 GLU- HN 4.80 # 3 116300.0 e 1 8756 HA 67 ALA QB 4.00 # 2M 619800.0 e 1 6918 HA 68 ARG+ HN 5.20 # 2 96150.0 e 1 5173 HA 69 GLU- HN 6.00 # w 3 17170.0 e 1 8755 HA 70 LEU HN 5.00 # 3 96300.0 e 1 8757 HA 70 LEU HB3 4.10 # 3 315700.0 e 1 8050 HA 70 LEU QD2 6.50 # 5M 138300.0 e 1 8758 HA 71 SER HN 4.70 # 3 132100.0 e 1 8546 HA 117 LHEM QM8 5.20 # 5M 498300.0 e 1 9701 HA 117 LHEM QM1 7.00 # w 5M 68230.0 e 1 9703 QB 68 ARG+ HN 4.50 # 2M 301400.0 e 1 7590 QB 117 LHEM QM8 5.80 # 5M 279300.0 r 1 9700 68 ARG+ HN 68 ARG+ HA 3.90 # 2 614000.0 e 1 5172 HN 68 ARG+ HB2 3.40 # 2 1336000.0 e 1 6770 HN 68 ARG+ HB3 3.50 # 2 1132000.0 e 1 6923 HN 68 ARG+ HG2 4.10 # 1 350700.0 e 1 8283 HN 68 ARG+ HG3 4.70 # 1 150500.0 e 1 6922 HN 68 ARG+ HD3 3.70 # 1 683300.0 e 1 8513 HN 69 GLU- HN 3.50 # 2 1042000.0 e 1 5171 HN 69 GLU- HB2 5.10 # 2 112700.0 e 1 8752 HN 70 LEU HN 4.00 # 3 369400.0 e 1 7187 HN 71 SER HN 5.80 # 3 39500.0 e 1 8759 HA 68 ARG+ HB2 3.70 # 2 741100.0 e 1 6945 HA 68 ARG+ HB3 3.80 # 2 721400.0 e 1 6946 HA 68 ARG+ HG2 3.90 # 1 492200.0 e 1 8278 HA 68 ARG+ HD2 4.10 # 1 337000.0 e 1 8282 HA 68 ARG+ HD3 4.20 # 1 286100.0 e 1 8518 HA 69 GLU- HN 4.00 # 2 515500.0 e 1 6931 HA 70 LEU HN 5.10 # 3 83410.0 e 1 8813 HA 71 SER HN 4.70 # 3 132900.0 e 1 8814 HA 71 SER QB 6.40 # m 3 58200.0*2e 1 8815 HA 72 LYS+ HN 5.20 # 3 76350.0 e 1 9516 HB2 68 ARG+ HG2 4.20 # 1 328800.0 e 1 8058 HB2 68 ARG+ HG3 4.00 # 1 385700.0 e 1 9352 HB2 68 ARG+ HD2 4.30 # 1 266900.0 e 1 6939 HB2 68 ARG+ HD3 3.80 # 1 541400.0 e 1 8057 HB2 69 GLU- HN 3.80 # 2 697300.0 e 1 8277 HB3 68 ARG+ HG2 3.20 # 1 1553000.0 e 1 8055 HB3 68 ARG+ HG3 4.30 # 1 273300.0 e 1 6937 HB3 68 ARG+ HD2 4.70 # 1 149400.0 e 1 7918 HB3 68 ARG+ HD3 4.20 # 1 290900.0 e 1 8056 HB3 69 GLU- HN 4.30 # 2 325500.0 e 1 8766 HG2 68 ARG+ HD2 3.80 # 1 567800.0 e 1 8280 HG2 68 ARG+ HD3 3.10 # 1 1881000.0 e 1 8279 HG2 69 GLU- HN 5.00 <# 5 156000.0 e 1 9350 HG3 68 ARG+ HD2 3.00 # 1 2366000.0 e 1 6940 HG3 68 ARG+ HD3 4.30 # 1 253600.0 e 1 8514 HG3 69 GLU- HN 6.00 ># w 5 19400.0 e 1 8276 HD2 69 GLU- HN 6.00 ># w 5 22970.0 e 1 8414 HD3 69 GLU- HN 5.10 <# 5 131800.0 e 1 8762 69 GLU- HN 69 GLU- HA 3.50 # 2 1197000.0 e 1 6796 HN 69 GLU- HB2 3.30 # 2 1686000.0 e 1 5192 HN 69 GLU- HB3 3.50 # 2 1131000.0 e 1 6960 HN 69 GLU- HG2 3.30 # 1 1240000.0 e 1 5189 HN 69 GLU- HG3 3.80 # 1 532900.0 e 1 5190 HN 70 LEU HN 3.30 # 2 1456000.0 e 1 6952 HN 70 LEU HB2 5.70 # 2 58800.0 e 1 9000 HN 70 LEU HB3 5.70 # 2 60140.0 e 1 8999 HN 71 SER HN 4.80 # 3 117600.0 e 1 9244 HA 69 GLU- HB2 3.50 # 2 1156000.0 e 1 6971 HA 69 GLU- HB3 3.40 # 2 1357000.0 e 1 6972 HA 69 GLU- HG2 3.30 # 1 1359000.0 e 1 6966 HA 69 GLU- HG3 3.40 # 1 1148000.0 e 1 6967 HA 70 LEU HN 3.80 # 2 658500.0 e 1 6954 HA 71 SER HN 4.80 # 3 115400.0 e 1 8816 HA 72 LYS+ HN 4.10 # 3 338700.0 e 1 6797 HB2 69 GLU- HG2 3.10 # 1 1964000.0 e 1 6974 HB2 69 GLU- HG3 3.20 # 1 1598000.0 e 1 6975 HB2 70 LEU HN 3.50 # 2 1159000.0 e 1 9662 HB3 69 GLU- HG2 3.20 # 1 1478000.0 e 1 6973 HB3 69 GLU- HG3 3.10 # 1 1791000.0 e 1 6968 HB3 70 LEU HN 3.70 # 2 747000.0 e 1 7926 70 LEU HN 70 LEU HA 3.40 # 2 1301000.0 e 1 6196 HN 70 LEU HB2 3.10 # 2 2276000.0 e 1 6198 HN 70 LEU HB3 3.20 # 2 2062000.0 e 1 6197 HN 70 LEU HG 4.10 # 1 352300.0 e 1 7589 HN 70 LEU QD1 5.20 # 1M 439900.0 e 1 7917 HN 70 LEU QD2 5.20 # 1M 479400.0 e 1 6202 HN 71 SER HN 3.60 # 2 900200.0 e 1 9658 HN 72 LYS+ HN 4.60 # 3 150400.0 e 1 8480 HA 70 LEU HB2 3.40 # 2 1307000.0 e 1 6208 HA 70 LEU HB3 3.60 # 2 877800.0 e 1 6207 HA 70 LEU HG 4.00 # 1 383100.0 e 1 9165 HA 70 LEU QD1 3.60 <# 1M 4262000.0 e 1 6203 HA 70 LEU QD2 4.90 ># 1M 634600.0 e 1 6210 HA 71 SER HN 4.80 # 2 164200.0 e 1 8817 HA 72 LYS+ HN 5.10 # 3 86730.0 e 1 8818 HA 73 THR HN 4.40 # 3 199900.0 e 1 7913 HB2 70 LEU HG 4.10 # 1 359700.0 e 1 8271 HB2 70 LEU QD1 4.50 # 1M 1096000.0 e 1 6214 HB2 70 LEU QD2 3.80 # 1M 2963000.0 e 1 7889 HB2 71 SER HN 4.30 ># 2 334700.0 e 1 8071 HB2 117 LHEM QM1 5.40 # 5M 392980.0 e 2 7373 HB3 70 LEU HG 3.50 # 1 850100.0 e 1 7891 HB3 70 LEU QD1 5.10 # 1M 519700.0 e 1 6213 HB3 70 LEU QD2 4.40 # 1M 1273000.0 e 1 7146 HB3 71 SER HN 3.50 <# 2 1078000.0 e 1 9484 HB3 117 LHEM QM1 6.20 # 5M 177100.0 e 1 7373 HG 70 LEU QD1 3.90 # 1M 2854000.0 e 1 7588 HG 70 LEU QD2 3.80 # 1M 3022000.0 e 1 7587 HG 71 SER HN 4.50 # 5 271100.0 e 1 9482 HG 71 SER HA 5.10 # 5 132500.0 e 1 7419 HG 74 PHE QD 7.20 # r 5 112750.0*2e 1 9367 HG 74 PHE QE 5.90 # r 5 721500.0*2e 1 9368 HG 74 PHE HZ 4.50 # 5 277100.0 e 1 9364 HG 117 LHEM QM1 5.00 # 5M 643580.0 e 2 7372 QD1 73 THR HN 6.60 # 5M 126700.0 e 1 8287 QD1 74 PHE QE 7.40 # r 5M 399450.0*2e 1 7390 QD1 74 PHE HZ 5.20 # 5M 528900.0 e 1 7401 QD1 117 LHEM QM1 4.70 ># 5M 930720.0 e 2 7424 QD2 71 SER HN 5.80 # 5M 267500.0 e 1 9164 QD2 74 PHE QE 7.30 # r 5M 475650.0*2e 1 8530 QD2 74 PHE HZ 5.40 # 5M 423000.0 e 1 7402 QD2 117 LHEM QM1 4.00 <# 5M 2573200.0 e 2 7387 71 SER HN 71 SER HA 3.30 # 2 1636000.0 e 1 6216 HN 71 SER QB 4.90 # i 2 304850.0*2e 1 6224 HN 72 LYS+ HN 3.70 # 2 826300.0 e 1 6218 HN 74 PHE QD 8.00 # r 5 50350.0*2e 1 8577 HN 74 PHE QE 8.00 # r w 5 39040.0*2e 1 8576 HN 117 LHEM QM1 4.20 # 5M 1828400.0 e 2 7380 HA 71 SER QB 4.10 # m 2 2344500.0*2e 1 6223 HA 72 LYS+ HN 4.10 # 2 425500.0 e 1 6219 HA 74 PHE HN 5.30 # 3 63700.0 e 1 8819 HA 74 PHE QD 5.50 # r 5 1292000.0*2e 1 7398 HA 74 PHE QE 6.30 # r 5 370050.0*2e 1 7188 HA 117 LHEM QM1 3.90 # 5M 3077200.0 e 2 8572 HA 117 LHEM HV2A 4.40 # 5 301840.0 e 2 8571 HA 117 LHEM HV2T 4.40 # 5 333200.0 e 2 8578 HA 117 LHEM HV2C 4.10 # 5 503160.0 e 2 8569 QB 72 LYS+ HN 6.60 # m 2 62900.0*2e 1 6220 QB 117 LHEM QM1 8.00 # m 5M 84250.0*2e 1 7374 72 LYS+ HN 72 LYS+ HA 3.50 # 2 1100000.0 e 1 5202 HN 72 LYS+ QB 4.30 # i 2 801500.0*2e 1 6232 HN 72 LYS+ HG2 3.70 ># 1 702500.0 e 1 6227 HN 72 LYS+ HG3 3.00 <# 1 2235000.0 e 1 6225 HN 73 THR HN 3.50 # 2 1101000.0 e 1 5200 HN 75 ILE HG13 5.50 # 5 80330.0 e 1 8820 HA 72 LYS+ QB 4.70 # m 2 792000.0*2e 1 6648 HA 72 LYS+ HG2 3.40 # 1 1157000.0 e 1 6653 HA 72 LYS+ HG3 3.50 # 1 1003000.0 e 1 6238 HA 73 THR HN 4.10 # 2 453600.0 e 1 7914 HA 74 PHE HN 3.90 # 3 430500.0 e 1 8822 HA 75 ILE HN 4.60 # 3 168900.0 e 1 8776 HA 75 ILE HG13 3.60 # 5 1011000.0 e 1 7759 QB 72 LYS+ HG2 4.70 ># m 1 644500.0*2e 1 6649 QB 72 LYS+ HG3 4.00 <# m 1 2364500.0*2e 1 6661 QB 75 ILE HN 6.10 # m 3 87100.0*2e 1 8376 73 THR HN 73 THR HA 3.50 # 2 1169000.0 e 1 5201 HN 73 THR HB 3.80 # 2 726900.0 e 1 5204 HN 73 THR QG2 4.40 # 1M 1224000.0 e 1 5207 HN 74 PHE HN 3.40 # 2 1415000.0 e 1 5210 HN 74 PHE QD 7.90 # r 5 52450.0*2e 1 7912 HN 75 ILE HN 5.10 # 3 80000.0 e 1 8571 HA 73 THR HB 3.20 # 2 1964000.0 e 1 6248 HA 73 THR QG2 4.50 # 1M 1114000.0 e 1 6245 HA 74 PHE HN 4.20 # 2 376600.0 e 1 8606 HB 73 THR QG2 3.90 # 1M 2446000.0 e 1 6247 HB 74 PHE HN 4.40 # 2 275200.0 e 1 7928 HB 74 PHE QE 8.00 # r w 5 45925.0*2e 1 9363 74 PHE HN 74 PHE QB 5.10 # i 2 251150.0*2e 1 6251 HN 74 PHE QD 6.00 # r 1 413200.0*2e 1 5212 HN 74 PHE QE 5.40 # m 1 220150.0*2e 1 6254 HN 75 ILE HN 3.20 # 2 1780000.0 e 1 7814 HN 75 ILE HB 4.20 # 2 381200.0 e 1 7910 HN 75 ILE HG12 4.80 # 5 190400.0 e 1 7911 QB 74 PHE QD 6.90 # mr 1 449000.0*4e 1 6667 QB 74 PHE QE 7.90 # mr 1 118000.0*4e 1 7148 QB 75 ILE HN 6.00 # m 2 131000.0*2e 1 7815 QD 74 PHE QE 7.10 # rr 1 2032750.0*4e 1 7147 QD 117 LHEM QM1 7.10 # r 5M 574490.0*2e 2 7381 QD 117 LHEM HV2A 6.70 # r 5 220710.0*2e 2 8616 QD 117 LHEM HV2T 6.70 # r 5 221760.0*2e 2 8649 QE 74 PHE HZ 4.90 # r 1 2910500.0*2e 1 8528 QE 117 LHEM QM1 6.60 # r 5M 1041600.0*2e 2 8534 75 ILE HN 75 ILE HA 3.90 # 2 618200.0 e 1 5414 HN 75 ILE HB 2.90 # 2 3350000.0 e 1 5416 HN 75 ILE QG2 5.00 # 1M 592800.0 e 1 7807 HN 75 ILE HG12 3.40 # 1 1205000.0 e 1 5415 HN 75 ILE HG13 3.70 # 1 651600.0 e 1 5218 HN 75 ILE QD1 4.90 # 1M 631500.0 e 1 5220 HN 76 ILE HN 4.70 # 2 175500.0 e 1 8611 HA 75 ILE HB 4.00 # 2 473200.0 e 1 6261 HA 75 ILE QG2 4.20 # 1M 1596000.0 e 1 7805 HA 75 ILE HG12 3.60 <# 1 753100.0 e 1 6262 HA 75 ILE HG13 4.30 ># 1 277400.0 e 1 7813 HA 75 ILE QD1 4.60 # 1M 949800.0 e 1 6263 HA 76 ILE HN 2.90 # 2 3336000.0 e 1 7552 HA 76 ILE HG12 5.30 ># 5 108800.0 e 1 8681 HA 76 ILE HG13 4.40 <# 5 312700.0 e 1 7947 HA 77 GLY HN 3.60 # 3 672700.0 e 1 7581 HB 75 ILE QG2 4.00 # 1M 2333000.0 e 1 7811 HB 75 ILE HG13 2.70 # 1 4223000.0 e 1 6276 HB 75 ILE QD1 4.90 # 1M 663800.0 e 1 7585 QG2 75 ILE HG12 4.70 ># 1M 803800.0 e 1 7954 QG2 75 ILE HG13 3.90 <# 1M 2838000.0 e 1 8120 QG2 75 ILE QD1 5.60 # m 1M 986700.0 e 1 7327 QG2 77 GLY HN 4.20 # 5M 1952000.0 e 1 9283 HG12 75 ILE QD1 3.60 # 1M 4255000.0 e 1 6270 HG12 76 ILE HN 4.90 # 5 160700.0 e 1 7951 HG12 77 GLY HN 4.80 # 5 184700.0 e 1 8260 HG13 75 ILE QD1 4.10 # 1M 1902000.0 e 1 6272 QD1 76 ILE HN 6.20 # 5M 173800.0 e 1 7909 76 ILE HN 76 ILE HA 3.80 # 2 661700.0 e 1 5555 HN 76 ILE HB 4.50 # 2 256900.0 e 1 7039 HN 76 ILE QG2 4.10 # 1M 1861000.0 e 1 5554 HN 76 ILE HG12 3.50 # 1 942500.0 e 1 6280 HN 76 ILE HG13 3.30 # 1 1313000.0 e 1 5553 HN 76 ILE QD1 5.50 # 1M 334800.0 e 1 5551 HN 77 GLY HN 3.10 # 2 2505000.0 e 1 6284 HA 76 ILE HB 3.10 # 2 2162000.0 e 1 6282 HA 76 ILE QG2 3.90 # 1M 2668000.0 e 1 7082 HA 76 ILE HG12 4.30 # 1 247700.0 e 1 8262 HA 76 ILE HG13 5.00 # 1 111700.0 e 1 8263 HA 76 ILE QD1 7.00 # w 1M 51560.0 e 1 8264 HA 77 GLY HN 4.20 # 2 361500.0 e 1 7313 HB 76 ILE QG2 3.70 # 1M 3667000.0 e 1 7081 HB 76 ILE HG12 3.30 # 1 1304000.0 e 1 7071 HB 76 ILE HG13 3.60 # 1 756000.0 e 1 7072 HB 76 ILE QD1 4.20 # 1M 1685000.0 e 1 7061 HB 77 GLY HN 4.70 # 2 196900.0 e 1 8261 QG2 76 ILE HG12 4.70 # 1M 899500.0 e 1 7078 QG2 76 ILE HG13 4.30 # 1M 1531000.0 e 1 7084 QG2 76 ILE QD1 5.00 # m 1M 2263000.0 e 1 7083 QG2 77 GLY HN 5.50 # 5M 369000.0 e 1 6563 HG12 76 ILE QD1 4.20 # 1M 1619000.0 e 1 7065 HG12 77 GLY HN 4.20 # 5 402400.0 e 1 7316 HG13 76 ILE QD1 4.30 # 1M 1436000.0 e 1 7080 HG13 77 GLY HN 4.40 # 5 327800.0 e 1 7315 QD1 77 GLY HN 6.60 # 5M 122100.0 e 1 7314 77 GLY HN 77 GLY HA1 3.90 # 2 570900.0 e 1 6285 HN 77 GLY HA2 3.70 # 2 819700.0 e 1 5234 HA1 78 GLU- HN 3.50 # 2 1137000.0 e 1 8079 HA2 78 GLU- HN 3.40 # 2 1419000.0 e 1 8078 78 GLU- HN 78 GLU- HA 3.50 # 2 1143000.0 e 1 5241 HN 78 GLU- HB2 3.90 # 2 557500.0 e 1 5240 HN 78 GLU- HB3 3.70 # 2 823400.0 e 1 5428 HN 78 GLU- QG 6.30 # m 1 70700.0*2e 1 8879 HN 79 LEU HN 4.90 # 2 137000.0 e 1 8894 HA 78 GLU- HB2 3.30 <# 2 1490000.0 e 1 6132 HA 78 GLU- HB3 4.00 ># 2 507800.0 e 1 6135 HA 78 GLU- QG 4.90 # i 1 260550.0*2e 1 8878 HA 79 LEU HN 3.10 # 2 2297000.0 e 1 5242 HB2 78 GLU- QG 4.40 # m 1 1057000.0*2e 1 8876 HB2 79 LEU HN 3.40 # 2 1352000.0 e 1 5239 HB3 78 GLU- QG 4.50 # m 1 949000.0*2e 1 8880 HB3 79 LEU HN 3.60 # 2 898100.0 e 1 9663 QG 79 LEU HN 7.00 # m w 5 33765.0*2e 1 8882 79 LEU HN 79 LEU HA 3.80 # 2 630500.0 e 1 5422 HN 79 LEU QB 4.30 # i 2 828500.0*2e 1 5236 HN 79 LEU HG 4.40 # 1 224600.0 e 1 5237 HN 79 LEU QD1 5.10 # 1M 530000.0 e 1 5423 HN 79 LEU QD2 4.90 # 1M 661500.0 e 1 6124 HN 80 HIS HN 5.80 # 2 50520.0 e 1 8678 HN 84 ARG+ HE 6.00 # w 5 36870.0 e 1 9462 HA 79 LEU HG 4.10 # 1 358600.0 e 1 8521 HA 79 LEU QD1 4.00 <# 1M 2351000.0 e 1 6121 HA 79 LEU QD2 5.50 ># 1M 313100.0 e 1 8119 HA 80 HIS HN 3.00 # 2 2741000.0 e 1 5420 QB 79 LEU QD1 5.20 # m 1M 1641000.0*2e 1 6117 QB 79 LEU QD2 5.30 # m 1M 1516000.0*2e 1 7941 QB 80 HIS HN 6.40 # m 2 84550.0*2e 1 9379 HG 79 LEU QD1 3.80 # 1M 2889000.0 e 1 6116 HG 79 LEU QD2 4.00 # 1M 2238000.0 e 1 7036 HG 80 HIS HN 4.50 # 5 281900.0 e 1 7794 HG 80 HIS HB2 5.30 # 5 105000.0 e 1 8985 HG 83 ASP- HN 4.80 # 5 186400.0 e 1 9452 HG 83 ASP- HB3 4.00 # 5 590600.0 e 1 9453 HG 84 ARG+ HN 5.40 # 5 95520.0 e 1 9451 HG 84 ARG+ HE 5.60 # 5 78100.0 e 1 9311 QD1 80 HIS HN 4.40 <# 5M 1393000.0 e 1 7629 QD1 80 HIS HB2 6.00 # 5M 221500.0 e 1 9461 QD1 80 HIS HB3 6.30 # 5M 165700.0 e 1 9460 QD1 83 ASP- HN 5.90 # 5M 237500.0 e 1 9454 QD1 83 ASP- HA 7.00 # w 5M 67890.0 e 1 9312 QD1 83 ASP- HB2 4.80 # 5M 873000.0 e 1 7621 QD1 83 ASP- HB3 5.30 # 5M 444300.0 e 1 7626 QD1 84 ARG+ HE 6.70 # 5M 117100.0 e 1 9464 QD2 80 HIS HN 6.30 ># 5M 166300.0 e 1 8680 QD2 83 ASP- HN 6.70 # 5M 112900.0 e 1 9455 QD2 83 ASP- HA 7.00 # w 5M 72390.0 e 1 9313 QD2 83 ASP- HB2 4.90 # 5M 780300.0 e 1 7627 QD2 83 ASP- HB3 5.00 # 5M 646000.0 e 1 7476 QD2 84 ARG+ HE 6.60 # 5M 123700.0 e 1 9465 80 HIS HN 80 HIS HA 3.80 # 2 701700.0 e 1 5419 HN 80 HIS HB2 3.40 # 2 1386000.0 e 1 5417 HN 80 HIS HB3 3.50 # 2 1124000.0 e 1 6106 HN 80 HIS HD2 4.70 # 1 154400.0 e 1 7701 HN 81 PRO QG 7.00 # m w 5 13225.0*2e 1 8947 HN 83 ASP- HN 5.70 # 3 45320.0 e 1 9060 HA 80 HIS HB2 3.60 # 2 868400.0 e 1 6109 HA 80 HIS HB3 4.00 # 2 509000.0 e 1 6105 HA 80 HIS HD2 4.50 # 1 215100.0 e 1 7702 HA 81 PRO QG 5.70 # m 5 224450.0*2e 1 8949 HA 84 ARG+ HE 6.00 # w 5 14270.0 e 1 9310 HB2 80 HIS HD2 3.50 <# 1 971500.0 e 1 6508 HB2 82 ASP- HN 4.70 # 3 146900.0 e 1 8257 HB3 80 HIS HD2 4.10 ># 1 362900.0 e 1 7783 HB3 80 HIS HE1 4.80 # 1 138600.0 e 1 9064 HB3 82 ASP- HN 4.90 # 3 105400.0 e 1 8256 HD2 80 HIS HE1 5.00 # 1 100500.0 e 1 8953 HD2 81 PRO QG 7.00 # m 5 48480.0*2e 1 8948 HD2 82 ASP- HN 6.00 # w 5 27260.0 e 1 8258 HE1 81 PRO QG 5.60 # m 5 230950.0*2e 1 9249 HE1 82 ASP- HN 3.90 # 5 723000.0 e 1 5020 81 PRO HA 81 PRO HB2 3.70 # 2 779200.0 e 1 7774 HA 81 PRO HB3 3.20 # 2 1858000.0 e 1 7775 HA 81 PRO QG 5.20 # i 1 170600.0*2e 1 7678 HA 82 ASP- HN 4.90 # 2 146000.0 e 1 6773 HA 83 ASP- HN 5.30 # 3 69270.0 e 1 8689 HA 83 ASP- HB3 4.60 # 3 162900.0 e 1 9059 HA 84 ARG+ HN 4.50 # 3 181500.0 e 1 8687 HA 84 ARG+ HB2 3.60 # 3 760900.0 e 1 8397 HA 84 ARG+ HB3 4.10 # 3 329900.0 e 1 8396 HA 84 ARG+ HE 4.20 # 5 413400.0 e 1 8398 HB2 81 PRO QG 4.30 # m 1 1222000.0*2e 1 7778 HB2 82 ASP- HN 4.60 # 2 207800.0 e 1 6776 HB3 81 PRO QG 4.30 # m 1 1226500.0*2e 1 7779 HB3 82 ASP- HN 4.70 # 2 180400.0 e 1 6774 HB3 83 ASP- HN 5.90 # 3 35760.0 e 1 8690 HB3 84 ARG+ HN 5.00 # 3 95510.0 e 1 8686 HB3 84 ARG+ HE 5.00 # 5 156400.0 e 1 9248 QG 82 ASP- HN 5.80 # m 5 195000.0*2e 1 6775 82 ASP- HN 82 ASP- HA 3.60 # 2 920300.0 e 1 6098 HN 82 ASP- HB2 3.30 # 2 1519000.0 e 1 6102 HN 82 ASP- HB3 3.70 # 2 820300.0 e 1 6099 HN 83 ASP- HN 3.40 # 2 1299000.0 e 1 6097 HN 84 ARG+ HN 4.90 # 3 103100.0 e 1 7281 HA 82 ASP- HB2 3.30 # 2 1707000.0 e 1 6101 HA 82 ASP- HB3 3.50 # 2 1207000.0 e 1 6100 HA 83 ASP- HN 4.30 # 2 310500.0 e 1 6096 HA 84 ARG+ HN 4.60 # 3 157900.0 e 1 9247 HB3 83 ASP- HN 4.60 # 2 209900.0 e 1 8691 83 ASP- HN 83 ASP- HA 3.80 # 2 636900.0 e 1 6093 HN 83 ASP- HB2 3.70 # 2 773500.0 e 1 6780 HN 83 ASP- HB3 3.50 # 2 1055000.0 e 1 6783 HN 84 ARG+ HN 3.20 # 2 1761000.0 e 1 6778 HN 84 ARG+ HA 4.70 # 2 182600.0 e 1 8785 HN 84 ARG+ HB2 5.00 # 2 125500.0 e 1 8694 HA 83 ASP- HB2 3.60 # 2 951000.0 e 1 6781 HA 83 ASP- HB3 3.90 # 2 557900.0 e 1 6784 HA 84 ARG+ HN 3.90 # 2 566400.0 e 1 5224 HB2 84 ARG+ HN 4.80 ># 2 157400.0 e 1 9750 HB3 84 ARG+ HN 4.00 <# 2 461000.0 e 1 8693 HB3 84 ARG+ HA 5.50 # 2 72980.0 e 1 9063 HB3 84 ARG+ HE 4.90 # 5 178600.0 e 1 8692 84 ARG+ HN 84 ARG+ HA 3.70 # 2 850700.0 e 1 5225 HN 84 ARG+ HB2 3.50 # 2 1121000.0 e 1 5229 HN 84 ARG+ HB3 3.50 # 2 1065000.0 e 1 5228 HN 84 ARG+ HE 5.70 # 1 46250.0 e 1 7791 HA 84 ARG+ HB2 3.70 # 2 762000.0 e 1 6088 HA 84 ARG+ HB3 3.80 # 2 660700.0 e 1 6087 HA 84 ARG+ HE 5.20 # 1 83150.0 e 1 7937 HB2 84 ARG+ HE 3.60 <# 1 783800.0 e 1 7789 HB3 84 ARG+ HE 4.40 ># 1 224900.0 e 1 7787 117 LHEM HAP71 117 LHEM HAP72 2.50 # s 1 10252200.0 e 2 8601 HAP71 117 LHEM HBP73 2.90 # 1 2658600.0 e 2 8638 HAP71 117 LHEM HBP74 2.70 # 1 4142600.0 e 2 8541 HAP71 117 LHEM QM8 4.50 # 1M 1145480.0 e 2 8583 HAP71 117 LHEM HGM 3.50 # 1 900760.0 e 2 8643 HAP72 117 LHEM HBP74 2.90 # 1 2695000.0 e 2 8658 HAP72 117 LHEM QM8 3.70 # 1M 3746400.0 e 2 8600 HBP73 117 LHEM HBP74 2.50 # s 1 13980400.0 e 2 8673 HBP74 117 LHEM QM8 6.40 # 1M 135506.0 e 2 8657 QM8 117 LHEM HDM 4.20 # 1M 1594600.0 e 2 8678 HDM 117 LHEM QM1 4.80 # 1M 790720.0 e 2 8681 QM1 117 LHEM HV2A 4.50 # 1M 1073100.0 e 2 8556 QM1 117 LHEM HV2T 5.10 # 1M 534380.0 e 2 8553 QM1 117 LHEM HV2C 7.00 # w 1M 62538.0 e 2 8576 HV2A 117 LHEM HV2T 4.00 # 1 383040.0 e 2 8580 HV2A 117 LHEM HV2C 3.50 # 1 876400.0 e 2 8577 HV2A 117 LHEM HAM 3.90 # 1 485380.0 e 2 8558 HV2T 117 LHEM HV2C 3.30 # 1 1433600.0 e 2 8544 HV2T 117 LHEM HAM 4.30 # 1 272160.0 e 2 8552 HV2T 117 LHEM QM3 6.20 # 1M 154140.0 e 2 8550 HAM 117 LHEM QM3 3.70 # 1M 3372600.0 e 2 8549 QM3 117 LHEM HV4A 4.60 # 1M 949060.0 e 2 8630 QM3 117 LHEM HV4T 4.00 # 1M 2192400.0 e 2 8619 HBM 117 LHEM QM5 4.60 # 1M 1019760.0 e 2 8675 QM5 117 LHEM HAP61 4.20 # 1M 1691200.0 e 2 8606 QM5 117 LHEM HAP62 4.90 # 1M 665000.0 e 2 8662 QM5 117 LHEM HBP63 5.00 # 1M 582400.0 e 2 8596 QM5 117 LHEM HBP64 6.40 # 1M 135170.0 e 2 8595 HGM 117 LHEM HAP61 4.00 # 1 402080.0 e 2 8669 HGM 117 LHEM HAP62 3.60 # 1 817040.0 e 2 8670 HAP61 117 LHEM HAP62 2.50 # s 1 9151800.0 e 2 8668 HAP61 117 LHEM HBP63 3.20 # 1 1477000.0 e 2 8608 HAP61 117 LHEM HBP64 3.50 # 1 910560.0 e 2 8665 HAP62 117 LHEM HBP63 3.40 # 1 1064140.0 e 2 8645 HAP62 117 LHEM HBP64 3.30 # 1 1346800.0 e 2 8666 HBP63 117 LHEM HBP64 2.60 # 1 5093200.0 e 2 8594 117 LHEM FE -28 LTNS PCN 0.20 5.00E+00 63 HIS NE2 117 LHEM FE 2.20 3.00E+00 HE1 117 LHEM QM3 5.50 39 HIS NE2 117 LHEM FE 2.20 3.00E+00 HD1 45 VAL QG1 5.50 HD1 46 LEU QD2 5.50
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