NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 329 V 4.0795 8.0544 120.4009 62.1919 32.7089 174.7311 330 V 3.6369 8.2988 124.3110 61.7663 32.0681 173.6184 331 P 4.6741 0.0000 0.0000 62.8834 33.3879 174.5382 332 W 4.9971 8.2040 131.1741 56.5116 33.6329 173.2713 333 S 4.0523 6.8388 118.5208 55.9081 66.1598 171.3014 334 P 4.2452 0.0000 0.0000 61.0738 32.0848 174.4669 335 P 4.2872 0.0000 0.0000 63.3336 31.7843 175.9017 336 Q 4.7131 8.4623 120.4342 53.7046 32.0708 176.8310 337 S 4.2009 8.7769 115.6383 60.9532 63.2311 174.8224 338 N 4.7351 8.2188 116.4312 52.3894 37.9749 173.7772 339 W 4.7819 8.0472 129.6380 55.5144 32.8593 174.2651 340 N 4.3526 7.7077 124.9158 50.8913 38.5384 173.6090 341 P 4.2495 0.0000 0.0000 64.6546 31.7766 177.6345 342 W 4.7914 7.8308 119.1061 58.6658 29.2894 177.1141 343 T 4.2340 7.9734 105.2476 60.6607 69.5510 174.1746 344 S 3.3955 7.3099 117.7050 58.6049 60.8211 169.9263 345 S 4.1728 5.8100 113.4737 57.1452 66.5523 175.4633 346 N 5.0078 8.5117 117.3205 53.2518 39.2204 175.2965 347 I 3.9983 8.4185 123.9518 60.5941 37.6937 175.6642 348 D 4.9775 8.5485 125.6173 52.5876 40.0663 174.9493 349 E 4.4663 7.6857 116.8714 56.3335 33.4679 175.8440 350 G 3.8973 8.5329 110.5956 43.7318 0.0000 171.5697 351 P 4.2605 0.0000 0.0000 63.5155 31.9839 176.2056 352 L 3.9951 8.4450 117.2670 55.4798 39.2378 176.5710 353 A 3.7240 6.9109 123.4594 54.8081 18.0731 179.5518 354 F 4.9782 7.4614 109.8411 57.1670 39.9764 175.0965 355 A 4.3866 7.6872 125.1712 51.4454 19.3370 177.9830 356 T 4.3671 8.4056 110.1265 60.5628 71.2161 174.1382 357 P 4.1853 0.0000 0.0000 65.8551 31.1294 178.6609 358 E 3.9903 8.1465 115.6298 59.6485 29.4638 179.1466 359 Q 4.1334 7.5048 115.3367 58.9980 29.1145 178.3454 360 I 3.9159 8.0102 121.1248 64.4226 37.0303 179.3526 361 S 4.0420 8.3634 113.7250 58.9996 62.3642 175.8009 *363 D 4.5011 8.0370 122.6750 54.4089 42.8941 177.5926 364 L 4.0295 7.8754 118.9410 57.4278 41.2890 179.3468 365 K 3.9511 8.0963 119.0418 59.5986 32.2354 178.2470 366 N 4.4903 8.0710 115.0266 56.4409 38.9720 176.5547 367 E 4.1622 8.4625 120.9377 58.8751 29.5923 177.7460 368 L 4.2603 7.7389 118.8208 55.7724 42.1848 177.6909 *370 Y 4.5328 7.7596 118.4951 57.1978 40.6861 176.4993 371 Q 3.8407 8.1120 119.6703 59.4556 28.7219 179.1186 372 L 3.9342 7.6468 118.5152 58.0510 41.8131 179.1631 373 E 4.0161 7.8458 116.7959 58.9775 29.3923 178.6669 374 Q 4.3007 7.5863 115.9386 55.5012 29.7396 174.8580 375 D 4.5531 7.7175 120.0941 53.0570 40.5558 176.3524 376 H 4.5888 8.3303 126.7018 57.8917 28.5792 177.3664 377 D 4.3594 8.1249 120.6657 57.2906 40.7201 178.3393 378 L 3.9729 7.6349 120.2638 57.9602 41.7063 179.0314 379 Q 4.0161 7.7553 117.5622 58.4677 28.5828 178.2987 380 A 4.0159 7.9172 121.5127 55.2840 18.4610 179.5243 381 I 3.6747 7.3472 116.9442 64.6066 36.9285 178.7323 382 L 4.0155 7.8227 118.7074 57.7840 41.5367 179.3232 383 Q 4.2966 7.9327 118.4353 58.7375 28.4358 178.1083 384 E 3.9567 8.2040 120.4401 59.4981 29.8173 179.1602 385 R 4.0959 8.3191 118.1712 59.3207 29.8614 178.9053 386 E 4.1261 7.7985 117.4859 58.8687 29.4954 178.3321 387 L 4.3770 7.2918 115.1668 54.0425 42.5784 176.8473 388 L 4.3819 7.4622 120.4799 53.4280 42.2833 176.0922 389 P 4.3841 0.0000 0.0000 66.0086 31.6563 179.1212 390 V 4.1966 7.9279 118.4312 64.2425 31.1584 178.0899 391 K 3.9536 8.3430 120.8079 59.9175 31.7122 178.3653 392 K 3.8094 7.0746 117.2784 59.4790 32.2393 178.0489 393 F 4.6635 8.3100 115.8467 57.3083 38.9050 176.9616 394 E 3.7070 8.2426 121.8594 59.8050 29.1424 179.2936 395 S 4.0865 7.8917 114.1696 61.5210 62.9544 176.1340 396 E 3.9610 8.1949 121.4914 59.2998 29.3820 178.8515 397 I 3.7665 8.0093 119.7143 64.4801 37.2576 178.3312 398 L 4.0625 8.0526 119.8021 57.8879 41.5499 179.3087 399 E 4.0076 8.7953 120.4851 58.5659 29.3549 178.6383 400 A 4.0267 7.9431 119.7750 55.3115 18.6459 179.4558 401 I 3.8664 8.0182 118.5556 64.5982 36.7267 178.8244 402 S 4.2265 8.3621 115.1095 61.1143 62.4583 175.6102 403 Q 4.4511 7.8001 118.1948 55.0582 29.4349 175.2234 404 N 5.1407 7.3723 117.0481 51.1793 42.7008 174.6335 405 S 4.4501 8.8964 118.0756 61.1266 63.9286 174.3524 406 V 4.8514 7.7255 116.9994 61.0371 34.1994 174.8687 407 V 4.6168 8.5412 124.8633 61.3286 35.6921 173.7532 408 I 4.9857 8.0707 124.4347 59.5240 40.5496 174.6366 409 I 4.9191 8.8112 126.6550 59.5324 39.9588 174.8790 410 R 5.1170 7.9372 127.3991 53.3085 32.7540 174.6768 411 G 4.2708 8.4548 110.7696 45.2882 0.0000 172.0486 412 A 4.3221 8.2457 123.2564 52.2537 19.2982 177.7878 413 T 3.8028 8.3927 110.9856 62.6768 69.4919 174.9750 414 G 3.9946 8.7327 110.7621 45.7585 0.0000 174.4581 415 C 4.1627 7.6911 119.9317 62.4794 32.0335 174.2001 416 G 4.0831 8.6003 106.7616 45.3353 0.0000 175.4229 417 K 3.8693 8.4257 120.6520 59.8813 32.3524 179.2245 418 T 3.8518 7.9995 113.8102 67.0262 68.3908 175.9699 419 T 4.1755 7.7817 108.3379 63.1193 69.7145 175.4468 420 Q 4.0859 7.8102 120.5847 57.1583 30.3797 177.5718 421 V 3.4286 7.3112 118.9433 65.7005 31.4221 176.2534 422 P 4.2417 0.0000 0.0000 65.6955 31.1951 178.6038 423 Q 4.0195 7.8111 116.3447 58.9158 28.7234 178.4420 424 F 4.5960 8.2603 119.1854 60.8587 38.8894 177.8820 425 I 3.8929 8.0823 119.2371 64.2435 36.8774 178.0315 426 L 3.9532 8.1059 121.2611 58.6374 41.8652 178.9447 427 D 4.4262 8.8033 118.9665 57.1434 40.6654 178.1953 428 D 4.3666 8.4133 118.7780 57.4570 41.2039 178.4935 429 F 3.8903 8.3458 117.8158 60.5068 38.8354 177.7005 430 I 3.7640 8.1460 119.5909 64.6694 36.7751 178.4310 431 Q 4.0468 8.3917 119.0487 58.1759 28.9362 176.5621 432 N 4.8790 7.7681 116.2782 52.7292 40.3448 174.2052 433 D 4.5098 7.8926 116.6715 56.0097 39.0671 174.7905 434 R 4.7036 8.2813 113.6333 55.8236 31.9030 177.4532 435 A 4.0972 8.5180 124.0606 55.5249 18.2703 180.4366 436 A 3.9960 8.1085 116.7814 54.2630 18.4509 177.8085 437 E 4.5135 8.4743 114.8530 55.9410 30.0015 175.1099 438 C 4.3845 7.8318 120.1660 57.5302 34.5843 172.6781 439 N 5.4759 8.8747 123.2460 51.7874 42.8543 173.4613 440 I 5.0785 9.1156 125.1206 59.5037 40.0598 174.9226 441 V 4.5573 8.5677 127.4258 60.2400 33.9561 175.2967 442 V 4.7820 7.8004 122.5622 61.3540 34.5464 174.3401 443 T 4.9032 8.9689 119.0765 61.2565 70.3367 173.8183 444 Q 5.0856 8.9678 121.9625 53.5522 32.7548 174.6460 445 P 4.3605 0.0000 0.0000 64.0977 32.4078 176.9947 446 R 4.6597 7.4363 118.6681 53.3872 35.4330 175.4350 447 R 3.8359 8.6876 121.8993 60.0160 29.8680 178.7681 448 I 3.6502 7.6040 117.5628 63.9174 38.0441 177.9897 449 S 3.9694 7.9609 115.5504 61.2431 62.7690 175.8289 450 A 3.9617 7.7203 123.4645 55.4444 17.9440 179.9834 451 V 2.7840 7.2578 115.6834 65.9204 31.6318 178.1102 452 S 3.8946 7.9544 113.1384 61.3463 62.0803 176.3505 453 V 3.2964 8.0266 121.0008 65.6289 31.2250 177.7356 454 A 3.3259 7.2531 120.4538 55.2285 18.3661 179.5788 455 E 3.9741 8.2950 117.2374 59.2329 29.3385 179.7072 456 R 3.8888 7.7864 119.0521 59.3853 30.1856 178.6911 457 V 3.5770 7.9886 118.1950 65.8109 31.5034 177.6533 458 A 4.1211 8.1254 120.6046 55.3004 18.2270 179.3750 459 F 4.0905 8.1191 118.6748 61.3997 39.3140 176.5670 460 E 4.1955 8.4926 115.1537 57.3592 29.2667 177.3653 461 R 4.4488 7.0422 115.4112 55.0091 31.4303 175.4948 462 G 3.7568 7.8508 105.6294 46.5255 0.0000 173.6274 463 E 4.7342 8.0806 116.3678 54.2306 33.8735 175.5706 464 E 4.4474 8.4268 119.8074 54.7365 30.7475 175.0761 465 P 4.3883 0.0000 0.0000 63.9224 31.7954 176.3831 466 G 3.9975 8.4501 109.8434 45.0597 0.0000 173.7220 467 K 4.2068 8.2459 119.2397 56.6936 33.9494 176.8049 468 S 4.4987 6.3865 118.0846 60.2466 65.3717 175.3728 469 C 5.3717 8.0477 117.8143 58.3146 32.3880 173.4809 470 G 4.2351 8.6075 108.2104 45.6894 0.0000 170.5461 471 Y 5.7429 7.9866 116.4405 55.4074 41.9582 174.5027 472 S 4.6559 8.5244 113.7963 57.6358 65.6260 173.1037 473 V 4.5144 9.1488 122.6610 59.4901 36.3025 176.0419 474 R 3.6237 8.2731 120.1294 58.7622 29.0211 177.3372 475 F 4.6438 9.9850 122.3834 56.2897 37.2394 174.5914 476 E 4.8136 8.1566 120.2567 54.5873 32.7152 173.6203 477 S 4.6508 8.3714 118.8829 57.0649 66.4524 173.7749 478 I 4.0958 6.6802 123.4788 59.2990 38.4548 174.8533 479 L 4.2523 8.0514 127.6628 53.7928 43.0084 175.4876 480 P 4.5922 0.0000 0.0000 61.2301 33.1290 175.6874 481 R 4.1469 8.7626 116.8214 55.5150 29.6330 176.0777 482 P 4.2262 0.0000 0.0000 64.8257 31.6959 175.9983 483 H 4.8775 7.2932 115.2499 54.7595 32.3884 172.9841 484 A 4.1423 8.9653 122.5111 51.7766 15.7587 175.6055 485 S 4.9323 7.3947 115.3678 57.1099 68.0069 174.5845 486 I 5.9266 8.3342 120.6952 58.6130 41.0733 174.4383 *488 F 4.9460 8.4306 119.5167 58.5281 40.6339 174.2408 489 C 5.1518 9.0046 115.8313 58.5546 33.4265 173.1169 490 T 4.7152 8.2902 108.8210 60.5794 69.9129 175.8249 491 V 3.6576 8.4509 121.8843 66.1076 31.3405 178.4566 492 G 3.5729 7.9981 104.8805 47.9316 0.0000 175.4162 493 V 3.5587 7.3436 119.9356 65.6248 31.3910 177.9307 494 L 3.9839 7.7416 119.8669 58.0320 41.4739 178.6505 495 L 3.8615 8.1043 119.2847 58.0977 40.3738 179.8574 496 R 3.9929 8.1854 117.8508 58.9748 29.9013 179.1159 497 K 4.1560 7.8854 119.1261 59.5482 32.0784 178.9398 498 L 4.1900 8.2287 118.1716 57.4123 41.4695 179.0304 499 E 4.1226 7.6877 117.1091 59.3535 29.5353 178.6299 500 A 4.3636 7.3416 119.0958 51.9507 19.2074 176.6900 501 G 4.1600 7.3067 103.3268 44.3489 0.0000 173.2380 502 I 4.7162 8.0684 109.6243 59.5584 37.8605 175.8517 503 R 3.4278 8.0083 120.4298 59.1916 30.2826 176.1540 504 G 3.6856 8.1531 113.5021 45.1110 0.0000 172.8557 505 I 4.2709 6.8465 120.8274 59.8636 38.1640 175.7440 506 S 4.7968 9.1142 121.4634 60.3400 64.8540 174.0289 507 H 5.2761 8.2327 116.5217 53.7170 32.9932 172.5986 508 V 4.6425 9.0980 122.8920 61.2462 34.0635 174.1190 509 I 4.7809 8.7263 129.6934 59.6468 39.3440 174.9019 510 V 4.7137 8.4815 128.4273 60.7854 32.5678 174.3158 511 D 4.7107 8.4570 127.7513 52.9720 43.1090 175.5166 512 E 3.8347 8.5583 120.2571 57.3775 26.9314 176.7189 513 I 3.6889 7.6053 111.8724 63.7039 38.1419 177.2724 514 H 4.2996 8.2106 115.8613 58.0946 28.3356 175.2095 515 E 4.1206 7.4533 119.0113 55.0021 27.9872 175.9974 516 R 3.9138 8.2474 123.3956 57.1558 30.7765 175.9486 517 D 4.4435 8.2073 118.7711 52.2690 44.9471 176.2944 518 I 3.6788 8.1844 128.4391 64.7779 37.3244 178.2085 519 N 4.5118 8.2274 116.6773 56.7876 38.5433 177.3053 520 T 3.8772 8.4833 117.1558 66.9221 68.6836 176.3376 521 D 4.4220 8.1953 120.6642 57.1519 40.8105 178.4020 522 F 4.4097 8.5394 121.4517 61.3783 39.3767 176.7155 523 L 3.7259 8.1175 119.8647 58.3879 41.7870 178.9705 524 L 4.3088 7.8896 118.2653 57.7847 41.5370 179.7533 525 V 3.8735 7.7787 119.0374 65.6217 31.6237 178.0458 526 V 3.6772 7.9275 117.9325 66.3251 31.3332 177.9987 527 L 4.0825 8.6337 118.8493 57.7619 41.4752 179.4623 528 R 4.2113 8.5252 118.9603 59.5748 30.1125 178.3052 529 D 4.4191 8.2483 118.7847 57.2357 40.7916 178.8987 530 V 3.6676 7.7606 118.6879 66.1630 31.3746 178.2347 531 V 3.5797 7.7073 116.4944 65.9750 31.3402 177.7941 532 Q 4.1214 7.8182 116.3128 59.0745 28.7686 178.4801 533 A 3.9330 7.5195 119.3716 53.9207 19.8231 177.4939 534 Y 4.8737 7.6911 114.9474 55.5428 38.7979 174.1291 535 P 4.3430 0.0000 0.0000 65.2943 31.8901 178.5914 536 E 4.1294 8.0583 117.8198 58.6867 29.7090 177.5621 537 V 3.6764 7.1081 118.1109 61.5013 32.5247 175.9165 538 R 4.7830 8.3364 120.4891 54.5153 32.9926 174.8595 539 I 4.9135 8.8368 124.7702 59.3913 40.5067 174.7971 540 V 4.7516 8.6305 125.6530 61.2829 34.7137 174.6156 541 L 5.3251 8.5108 127.5014 52.0183 45.5704 175.0038 *543 S 4.5295 8.3385 112.6069 58.1747 63.6876 173.1650 544 A 4.8296 8.5014 127.3113 51.2384 19.4921 178.4232 545 T 4.2793 8.3180 110.0556 61.6085 67.3529 173.6598 546 I 4.5258 7.5443 122.2743 59.6066 40.9961 174.9639 547 D 4.5112 8.6024 120.3586 54.3945 40.0039 175.8811 548 T 4.6138 8.3452 116.2822 61.7110 69.7061 176.1594 549 S 3.9036 8.0008 120.2950 59.6432 63.7311 176.6341 *551 F 4.8655 8.1896 118.5985 58.0458 40.9928 177.0353 552 C 3.9207 8.4445 120.4422 62.7830 31.4583 176.1742 553 E 4.3055 8.5123 117.8673 59.1098 29.2072 177.7505 554 Y 3.9057 8.2766 120.1890 59.5147 39.4628 176.0834 555 F 3.8855 7.8294 118.9107 56.9440 39.5950 175.1971 556 F 4.2703 7.7857 112.6331 60.0797 36.6462 175.6390 557 N 4.2659 8.3010 112.3814 54.4867 36.7327 174.3726 558 C 4.4979 7.5834 110.9831 57.0124 31.3690 171.4950 559 P 4.6230 0.0000 0.0000 62.8840 32.5285 175.5354 560 I 4.7115 8.0663 120.4318 59.9510 40.8930 174.9979 561 I 4.3647 8.8957 128.6994 59.5819 39.0006 174.7048 562 E 4.5397 8.6372 127.4077 55.6547 30.5226 177.0308 563 V 2.7076 7.9224 123.1871 62.8058 31.4956 174.3465 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 329 V 8.05 4.08 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.92 0.00 0.00 330 V 8.30 3.64 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 1.07 0.00 0.00 331 P 0.00 4.67 0.00 2.09 1.97 0.00 3.74 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.12 0.00 332 W 8.20 5.00 0.00 2.81 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 333 S 6.84 4.05 0.00 3.44 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 334 P 0.00 4.25 0.00 1.78 1.94 0.00 3.35 0.00 0.00 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.05 0.00 335 P 0.00 4.29 0.00 2.17 2.21 0.00 3.58 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.96 0.00 336 Q 8.46 4.71 0.00 2.09 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.93 0.00 0.00 0.00 0.00 0.00 2.24 2.14 0.00 337 S 8.78 4.20 0.00 4.11 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 338 N 8.22 4.74 0.00 3.01 3.20 0.00 0.00 5.75 8.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 339 W 8.05 4.78 0.00 3.27 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 340 N 7.71 4.35 0.00 2.40 2.33 0.00 0.00 6.70 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 341 P 0.00 4.25 0.00 1.36 1.93 0.00 3.17 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.21 0.00 342 W 7.83 4.79 0.00 3.34 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 343 T 7.97 4.23 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 344 S 7.31 3.40 0.00 4.02 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 345 S 5.81 4.17 0.00 3.69 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 346 N 8.51 5.01 0.00 2.68 2.87 0.00 0.00 6.91 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 347 I 8.42 4.00 1.81 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.48 0.79 0.00 0.00 348 D 8.55 4.98 0.00 2.76 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 349 E 7.69 4.47 0.00 1.85 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.26 0.00 350 G 8.53 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 351 P 0.00 4.26 0.00 2.19 2.15 0.00 3.81 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.95 0.00 352 L 8.45 4.00 0.00 1.85 1.75 0.91 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 353 A 6.91 3.72 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 354 F 7.46 4.98 0.00 3.05 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 355 A 7.69 4.39 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 356 T 8.41 4.37 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 357 P 0.00 4.19 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0.00 0.00 0.00 450 A 7.72 3.96 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 451 V 7.26 2.78 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.40 0.00 0.00 0.41 0.00 0.00 452 S 7.95 3.89 0.00 3.80 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 453 V 8.03 3.30 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.00 0.00 0.81 0.00 0.00 454 A 7.25 3.33 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 455 E 8.29 3.97 0.00 2.02 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.35 0.00 456 R 7.79 3.89 0.00 1.84 2.01 0.00 3.21 0.00 0.00 3.02 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.67 0.00 457 V 7.99 3.58 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.95 0.00 0.00 458 A 8.13 4.12 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 493 V 7.34 3.56 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.93 0.00 0.00 494 L 7.74 3.98 0.00 1.75 1.75 0.97 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 495 L 8.10 3.86 0.00 1.78 1.57 0.81 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 496 R 8.19 3.99 0.00 2.01 1.99 0.00 3.11 0.00 0.00 3.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.64 0.00 497 K 7.89 4.16 0.00 2.06 1.96 0.00 1.77 0.00 0.00 1.78 0.00 0.00 3.13 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.70 1.55 7.81 498 L 8.23 4.19 0.00 1.74 1.73 0.90 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 499 E 7.69 4.12 0.00 2.20 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.49 0.00 500 A 7.34 4.36 1.40 0.00 0.00 0.00 0.00 0.00 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2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 1.06 0.00 0.00 526 V 7.93 3.68 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.90 0.00 0.00 527 L 8.63 4.08 0.00 1.99 1.77 0.90 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 528 R 8.53 4.21 0.00 2.13 2.11 0.00 2.77 0.00 0.00 3.01 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.92 0.00 529 D 8.25 4.42 0.00 3.01 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 530 V 7.76 3.67 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 1.09 0.00 0.00 531 V 7.71 3.58 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.97 0.00 0.00 532 Q 7.82 4.12 0.00 2.25 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.79 0.00 0.00 0.00 0.00 0.00 2.41 2.58 0.00 533 A 7.52 3.93 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 534 Y 7.69 4.87 0.00 2.72 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 535 P 0.00 4.34 0.00 2.18 2.20 0.00 3.78 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.99 0.00 536 E 8.06 4.13 0.00 2.12 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.44 0.00 537 V 7.11 3.68 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.42 0.00 0.00 0.61 0.00 0.00 538 R 8.34 4.78 0.00 1.59 1.74 0.00 3.25 0.00 0.00 3.13 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.66 0.00 539 I 8.84 4.91 1.64 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.18 0.68 0.00 0.00 540 V 8.63 4.75 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.94 0.00 0.00 541 L 8.51 5.33 0.00 1.43 1.30 0.54 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 *543 S 8.34 4.53 0.00 3.88 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 544 A 8.50 4.83 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 545 T 8.32 4.28 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 546 I 7.54 4.53 1.91 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.81 0.92 0.00 0.00 547 D 8.60 4.51 0.00 2.65 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 548 T 8.35 4.61 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 549 S 8.00 3.90 0.00 3.92 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *551 F 8.19 4.87 0.00 3.36 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 552 C 8.44 3.92 0.00 3.08 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 553 E 8.51 4.31 0.00 2.05 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.33 0.00 554 Y 8.28 3.91 0.00 2.87 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 555 F 7.83 3.89 0.00 3.11 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 556 F 7.79 4.27 0.00 3.29 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 557 N 8.30 4.27 0.00 2.92 2.90 0.00 0.00 6.86 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 558 C 7.58 4.50 0.00 3.44 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 559 P 0.00 4.62 0.00 2.12 2.06 0.00 3.77 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.16 0.00 560 I 8.07 4.71 1.89 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.64 0.97 0.00 0.00 561 I 8.90 4.36 1.86 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.93 0.86 0.00 0.00 562 E 8.64 4.54 0.00 1.79 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.24 0.00 563 V 7.92 2.71 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 0.36 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.