NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 413 T 4.2332 8.1744 115.2411 61.7819 68.5212 173.1002 414 E 4.0413 8.5076 129.3455 54.1884 30.5977 174.1462 415 C 4.1107 8.4241 125.5558 60.0794 32.7562 172.8693 416 T 4.5040 8.2888 115.5868 61.2912 69.7200 175.1541 417 I 3.8593 7.7163 115.6033 63.0733 38.0206 176.1560 418 V 4.4720 7.2175 112.0915 58.2026 35.4369 173.2294 419 P 4.4011 0.0000 0.0000 62.0938 32.0016 177.2320 420 A 3.8492 8.4248 122.2813 54.8844 18.2628 178.0529 421 N 3.2664 7.5203 111.2705 52.3254 37.6854 174.4274 422 H 4.1334 7.5833 119.4617 56.9234 30.2021 174.5651 423 F 4.6474 8.5502 125.6340 57.4010 40.3344 175.5472 424 G 3.9409 8.8689 109.6383 43.7116 0.0000 171.2089 425 P 4.4972 0.0000 0.0000 62.5554 32.0404 176.3146 426 I 4.0875 8.0264 121.7519 59.5673 37.9711 173.8970 427 P 4.3790 0.0000 0.0000 64.6037 31.3884 176.7063 428 G 3.8817 9.1962 111.2729 45.2172 0.0000 173.4431 429 V 4.2329 7.4699 119.8007 60.0765 31.6338 173.3187 430 P 4.6561 0.0000 0.0000 61.3304 32.4109 176.4245 431 V 3.8107 8.2922 119.2496 64.9081 31.6067 176.3158 432 G 4.0201 9.0542 115.6208 45.1967 0.0000 174.0388 433 T 3.7749 7.6758 116.7224 64.0146 69.8490 173.2242 434 M 5.0333 7.7406 123.3863 53.2548 36.1479 174.4064 435 W 5.2355 9.1237 122.0331 54.9451 33.0778 176.4845 436 R 3.8292 8.9553 124.2383 58.5781 30.8655 176.4738 437 F 5.1383 8.0523 115.7901 54.9289 42.5900 176.0258 438 R 3.9658 8.8877 122.5136 59.5621 29.7500 179.7171 439 V 3.3832 7.8144 118.3823 64.8488 31.3603 178.4208 440 Q 3.9099 8.0426 118.2165 58.6738 28.0739 178.6074 441 V 2.0373 7.3597 118.7428 65.4326 31.3831 177.9207 442 S 4.4560 7.8545 114.1751 61.0197 62.0884 176.0368 443 E 4.0723 7.9728 120.1462 59.1627 29.2124 179.0545 444 S 4.2880 7.5110 112.6565 59.3895 63.3450 175.4630 445 G 3.8744 7.8953 110.7230 45.3613 0.0000 174.9182 446 V 3.4649 7.3072 119.1950 65.5490 31.8100 175.4683 447 H 4.7103 7.5518 119.3356 53.6328 30.8500 173.6304 448 R 3.7862 8.3708 126.1748 58.3856 30.2330 176.5296 449 P 4.3137 0.0000 0.0000 62.7365 31.8247 176.4024 450 H 4.4364 8.7778 119.5927 57.9172 29.2416 176.0092 451 V 4.1608 7.7679 115.4060 64.1364 33.2766 175.8040 452 A 4.1764 7.9390 120.7799 52.4052 18.8898 177.3471 453 G 4.0130 8.6418 106.7281 47.2854 0.0000 173.0192 454 I 5.2892 7.6682 119.5688 59.4999 41.8152 173.4854 455 H 4.9671 9.1128 127.7810 54.7151 32.4152 172.7330 456 G 3.8587 8.3218 111.3419 45.8509 0.0000 171.9576 457 R 4.7666 8.4380 118.4261 53.9160 33.2471 177.2408 458 S 4.1365 8.9406 117.6664 60.5692 63.0084 174.6686 459 N 4.8589 8.0810 115.9414 52.4666 37.5653 173.5704 460 D 4.6286 9.6084 116.7833 55.7363 43.0503 176.2737 461 G 4.3702 7.2214 104.0075 43.5004 0.0000 170.4037 462 A 4.4348 8.4077 123.8642 50.9836 20.1320 176.8210 463 Y 4.5500 8.3865 121.2831 59.9918 39.3280 175.8128 464 S 5.3437 7.7629 110.9054 57.6620 66.2651 174.1522 465 L 4.9433 8.9048 120.4824 54.4452 44.1829 174.6625 466 V 4.7985 8.7352 120.3722 61.1404 33.9603 174.7144 467 L 4.6092 9.0250 128.1092 52.8476 43.1291 176.6182 468 A 4.8166 8.6616 127.1776 52.4369 19.9533 175.9813 469 G 4.1318 9.4672 112.0375 47.4192 0.0000 177.1740 470 G 3.7963 8.2389 108.0689 45.3623 0.0000 174.6032 471 Y 4.7411 5.6056 118.7410 56.5034 42.4972 173.8587 472 E 4.6277 8.9731 115.7283 58.4236 31.5239 176.5460 473 D 4.6597 8.6026 116.8993 55.1010 41.1234 176.0869 474 D 4.8464 7.9725 119.7272 54.1841 42.0283 176.0415 475 V 4.4216 8.9810 121.5518 61.3829 35.1431 173.3380 476 D 4.9733 8.8982 127.9075 52.8451 41.8822 175.1425 477 N 4.5700 8.7936 123.4434 52.6336 38.2677 175.6620 478 G 2.6572 7.2477 111.8930 45.5552 0.0000 174.4317 479 N 4.9259 8.0297 119.6503 55.2312 40.8290 174.1194 480 Y 5.6786 7.5235 115.5778 56.1353 41.8768 173.6694 481 F 5.4739 8.9509 114.2552 56.2679 41.5297 173.2434 482 T 5.2892 8.9570 111.2496 61.1799 70.9422 173.1765 483 Y 5.1192 8.9494 122.5120 56.7981 42.9287 173.4944 484 T 4.8761 7.4685 120.0346 61.5523 71.6100 175.1386 485 G 4.1761 9.2639 113.5008 45.9676 0.0000 172.4690 486 S 4.8589 9.0277 114.1317 56.6087 65.5398 173.0798 487 G 3.8437 8.8399 106.7267 45.6351 0.0000 175.5033 488 G 4.3552 7.8546 105.6776 46.8398 0.0000 175.5764 *500 Q 4.4849 8.6115 119.6863 55.1251 30.6249 175.6783 501 S 4.1965 7.6385 110.2322 58.9657 63.8302 173.0565 502 S 4.0780 6.5824 112.2957 56.6055 66.4502 173.2197 503 D 4.8711 8.6107 120.1221 54.2759 41.1448 176.8873 504 Q 4.4318 9.1827 122.0414 56.0550 29.6706 175.7482 505 K 4.8875 8.4979 118.7676 54.8792 36.3271 177.0881 506 L 3.8294 8.3724 124.5678 53.7274 40.5525 174.6075 507 T 4.7067 6.8234 111.6700 59.8378 73.9257 176.4369 508 N 3.9030 8.2284 119.4755 54.6384 37.9386 178.3079 509 N 4.4043 8.6555 123.2050 56.6241 38.5100 176.3581 510 N 4.4150 8.0288 119.3766 55.7755 38.6319 177.0704 511 R 3.6215 7.7139 119.7640 59.0330 30.1298 178.1226 512 A 3.8570 7.9295 120.6651 55.3263 18.2336 179.4514 513 L 3.7410 7.9154 118.4250 58.0324 42.0574 178.9604 514 A 3.3771 7.6894 120.4617 54.9076 17.9347 179.4462 515 L 3.8890 7.7361 116.6324 58.1417 41.9470 179.2980 516 N 4.3552 7.8880 116.3122 55.1099 38.5067 175.0206 517 C 4.7576 7.4721 120.5560 59.6041 32.7555 173.9637 518 H 4.6890 8.7860 127.3228 53.8970 27.6101 173.6081 519 S 4.7337 7.2409 113.9410 56.4960 65.4238 175.0055 520 P 4.3720 0.0000 0.0000 62.2564 31.6740 176.4395 521 I 3.9125 8.2271 122.1659 61.1486 38.6115 174.8361 522 N 5.0287 9.1814 125.4458 51.7973 41.4871 174.8019 523 E 4.3123 9.1313 124.9456 58.3852 29.7144 177.2771 524 K 4.2764 8.2698 118.4580 55.7989 32.6992 176.5593 525 G 3.8229 10.0297 103.2005 46.3152 0.0000 172.0853 526 A 4.2785 7.1142 119.0648 51.3317 22.3365 175.0291 527 E 5.0053 8.3717 119.4012 53.7460 32.5045 175.7121 528 A 4.3648 8.9150 128.8911 52.2187 18.6197 177.1052 529 E 3.9256 8.8828 124.2485 57.7789 30.2818 176.7563 530 D 4.8688 8.0779 126.5792 51.6132 42.2181 176.2890 531 W 4.4606 9.0615 125.1390 59.6915 28.0113 178.8507 532 R 3.3585 6.6887 116.2416 58.0937 29.3878 177.3893 533 Q 4.0262 7.8863 115.7991 56.3619 28.9152 176.2584 534 G 3.9269 7.5622 105.8840 45.6860 0.0000 173.8163 535 K 4.2863 8.3662 120.6509 55.2130 32.5625 175.8511 536 P 4.7797 0.0000 0.0000 62.8058 32.7388 175.5668 537 V 4.5846 8.8580 121.3444 61.0930 34.5064 174.7823 538 R 4.7574 9.0907 127.8287 56.3183 31.2863 175.5835 539 V 4.8246 9.2162 124.2035 61.0655 34.3155 174.2104 540 V 5.0381 8.6531 127.5359 61.2913 34.2269 174.2005 541 R 5.0245 8.8785 126.3962 54.6214 32.4928 174.7318 542 N 5.4855 8.8335 121.8231 51.6581 41.7318 175.2858 543 M 4.5365 8.8186 123.7657 58.0055 30.8641 178.9291 544 K 4.2238 8.7287 118.7279 58.4279 32.4931 178.6651 545 G 3.8753 8.4452 105.9885 46.0753 0.0000 175.7125 546 G 3.6922 7.8843 107.8764 47.5049 0.0000 175.2500 547 K 4.1322 7.9777 119.4494 58.8851 32.4505 177.3596 548 H 4.5888 8.1001 116.8354 57.0595 30.5831 174.8932 549 S 4.5314 8.0361 113.7827 56.2587 65.2020 174.3936 550 K 3.9926 8.4291 125.5555 58.4488 32.7328 177.0210 551 Y 3.8894 7.4014 116.3348 58.2556 38.4021 175.9481 552 A 4.1486 7.6936 123.0090 51.1214 19.3349 175.5394 553 P 4.4596 0.0000 0.0000 62.2825 32.3006 177.3852 554 A 3.9894 8.6905 123.2072 54.7043 18.5013 177.9120 555 E 4.6132 7.4753 114.0650 55.2292 33.6423 176.6781 556 G 3.7837 8.6090 112.4930 46.3505 0.0000 172.0580 557 N 5.5882 9.2754 119.3873 51.5016 43.0156 173.6866 558 R 5.0869 9.1636 122.2645 54.8150 33.9290 173.1064 559 Y 5.1421 9.1054 127.8571 57.5056 39.6526 175.0581 560 D 4.6625 8.9572 126.3128 53.7607 42.4322 175.5858 561 G 3.4420 6.5335 104.0323 44.5394 0.0000 171.7394 562 I 5.0304 8.6835 119.6227 60.7617 38.7176 175.1397 563 Y 5.3267 9.4664 123.5392 56.2680 42.3377 174.5559 564 K 5.0582 9.3445 119.4555 54.6263 36.9987 176.1051 565 V 4.2548 8.5261 123.1081 62.9050 31.4933 175.9033 566 V 4.1320 9.3655 130.3606 65.7085 32.6196 175.6280 567 K 5.1789 7.9852 117.0073 56.6170 35.6564 173.7546 568 Y 5.5347 8.7965 118.2947 55.7981 41.7310 173.8275 569 W 5.4674 8.7271 116.8114 54.9287 31.8630 171.7220 570 P 4.1331 0.0000 0.0000 62.0597 32.1136 174.8049 571 E 4.7015 8.5722 118.6207 55.1552 33.6289 173.9886 572 R 4.8609 7.9544 119.8471 53.9791 31.9039 175.9468 573 G 4.0824 8.2900 118.0990 44.8136 0.0000 174.0625 574 K 3.9553 8.7166 118.6510 59.4227 32.2624 178.4235 575 S 4.1994 7.9884 112.0383 59.3930 63.2653 175.0359 576 G 3.7896 8.1374 109.7093 45.1515 0.0000 173.7836 577 F 4.7618 7.4935 118.0462 56.6793 40.9270 174.7957 578 L 4.5805 9.4749 124.7251 54.9751 43.1634 176.0700 579 V 4.8060 8.6485 119.2690 59.2911 35.5009 174.5352 580 W 4.4677 9.3604 123.9024 55.7042 30.6825 175.7514 581 R 4.8870 8.1617 122.9177 54.4853 32.9394 174.3909 582 Y 5.1863 8.6109 118.0252 56.3531 43.1466 173.7991 583 L 5.1519 9.3718 124.9132 53.5107 44.5727 175.0249 584 L 5.2618 8.6035 126.4840 52.9227 44.9044 175.5384 585 R 5.1974 8.9817 122.0579 54.3304 33.6857 174.3035 586 R 3.5892 8.8979 126.8149 56.3956 30.7317 176.2418 587 D 4.8492 9.1090 125.7598 52.3819 41.6922 172.9228 588 D 4.7278 8.0316 120.4302 52.3552 44.5540 175.3484 589 T 4.1298 8.4562 115.2935 63.1824 69.5883 174.6208 590 E 4.3179 8.2609 122.8115 54.4672 30.4246 174.7004 591 P 4.3000 0.0000 0.0000 62.1393 32.3517 176.0413 592 E 3.4208 8.1583 119.4299 55.7636 29.5692 176.6877 593 P 4.1893 0.0000 0.0000 64.7438 31.5181 177.2065 594 W 4.5885 7.2261 113.2978 57.3008 28.9825 176.9764 595 T 4.3935 7.2602 111.2459 60.6085 70.8166 175.2844 596 R 3.8753 8.5156 120.8948 59.9664 29.8528 178.3040 597 E 4.0440 8.1279 117.7149 59.2832 29.5419 179.3986 598 G 3.4607 8.1083 105.8362 47.6063 0.0000 175.9677 599 K 3.9763 8.3648 121.3337 59.1999 32.0060 178.9162 600 D 4.3589 8.1321 119.2206 57.5561 40.7256 179.1185 601 R 3.8367 8.0864 118.8324 59.8011 30.1283 178.4567 602 T 3.8190 8.2607 115.9443 66.6983 68.4077 176.5314 603 R 3.8164 8.0155 120.4033 59.4799 29.9622 178.1742 604 Q 3.9603 8.0961 118.3776 59.2626 29.1098 177.9589 605 L 4.2516 8.2833 118.1349 54.5072 42.1263 176.8954 606 G 3.8856 7.8171 106.8121 46.3474 0.0000 174.0013 607 L 4.1755 7.7259 119.6578 54.1775 42.3685 177.0262 608 T 4.6365 7.8675 111.8732 59.3279 72.0529 173.0299 609 M 3.8071 8.3842 122.1454 56.1169 32.9655 175.2633 610 Q 4.3320 8.3073 125.1344 55.1325 30.1816 174.5114 611 Y 5.1692 8.3451 121.7167 55.4480 40.4075 174.1794 612 P 4.3203 0.0000 0.0000 63.9039 32.1793 176.3557 613 E 4.1245 8.9528 121.9031 56.8221 30.5648 174.0988 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 413 T 8.17 4.23 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 1.20 0.00 0.00 414 E 8.51 4.04 0.00 1.99 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 2.21 2.35 0.00 415 C 8.42 4.11 0.00 3.10 2.76 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 0.00 416 T 8.29 4.50 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 417 I 7.72 3.86 1.84 0.00 0.00 0.84 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 0.53 0.89 0.00 0.00 418 V 7.22 4.47 1.88 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 0.62 0.00 0.00 0.74 0.00 0.00 419 P 0.00 4.40 0.00 2.31 2.12 0.00 3.66 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.93 0.00 420 A 8.42 3.85 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 421 N 7.52 3.27 0.00 2.75 2.64 0.00 0.00 5.97 7.90 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 0.00 422 H 7.58 4.13 0.00 3.07 3.17 0.00 5.93 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 423 F 8.55 4.65 0.00 3.09 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 0.00 424 G 8.87 3.94 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 0.00 425 P 0.00 4.50 0.00 2.16 2.19 0.00 3.77 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.27 0.00 426 I 8.03 4.09 1.81 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.10 0.89 0.00 0.00 427 P 0.00 4.38 0.00 2.02 2.03 0.00 3.61 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.10 0.00 428 G 9.20 3.88 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 0.00 0.00 0.00 429 V 7.47 4.23 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 1.05 0.00 0.00 1.01 0.00 0.00 430 P 0.00 4.66 0.00 2.29 2.19 0.00 3.79 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.95 0.00 431 V 8.29 3.81 2.03 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 0.75 0.00 0.00 0.79 0.00 0.00 432 G 9.05 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 433 T 7.68 3.77 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 0.16 0.00 0.00 434 M 7.74 5.03 0.00 1.74 1.66 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.45 0.00 435 W 9.12 5.24 0.00 3.23 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 436 R 8.96 3.83 0.00 1.74 1.85 0.00 2.86 0.00 0.00 3.35 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.50 0.00 437 F 8.05 5.14 0.00 3.11 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 438 R 8.89 3.97 0.00 1.86 2.10 0.00 3.30 0.00 0.00 3.40 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.68 0.00 439 V 7.81 3.38 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.77 0.00 0.00 440 Q 8.04 3.91 0.00 2.42 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.82 0.00 0.00 0.00 0.00 0.00 2.51 2.52 0.00 441 V 7.36 2.04 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.00 0.00 0.75 0.00 0.00 442 S 7.85 4.46 0.00 3.98 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 443 E 7.97 4.07 0.00 2.05 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 2.55 2.49 0.00 444 S 7.51 4.29 0.00 4.15 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 445 G 7.90 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 446 V 7.31 3.46 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.00 0.78 0.00 0.00 447 H 7.55 4.71 0.00 3.20 3.04 0.00 5.88 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 448 R 8.37 3.79 0.00 1.50 1.77 0.00 3.15 0.00 0.00 3.10 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.54 0.00 449 P 0.00 4.31 0.00 2.16 1.93 0.00 3.10 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 2.05 1.89 0.00 450 H 8.78 4.44 0.00 3.09 3.33 0.00 5.66 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.50 0.00 512 A 7.93 3.86 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 513 L 7.92 3.74 0.00 1.47 1.22 0.71 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 514 A 7.69 3.38 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 515 L 7.74 3.89 0.00 1.77 1.71 0.93 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 516 N 7.89 4.36 0.00 2.96 3.00 0.00 0.00 6.57 7.56 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 0.00 517 C 7.47 4.76 0.00 3.16 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 0.00 518 H 8.79 4.69 0.00 3.32 3.26 0.00 5.78 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 519 S 7.24 4.73 0.00 4.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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4.78 0.00 2.22 2.12 0.00 3.53 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.02 0.00 537 V 8.86 4.58 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 1.04 0.00 0.00 538 R 9.09 4.76 0.00 2.00 2.12 0.00 2.98 0.00 0.00 3.33 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.75 0.00 539 V 9.22 4.82 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.93 0.00 0.00 540 V 8.65 5.04 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 1.06 0.00 0.00 1.16 0.00 0.00 541 R 8.88 5.02 0.00 1.86 1.80 0.00 3.32 0.00 0.00 3.03 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.58 0.00 542 N 8.83 5.49 0.00 2.86 2.76 0.00 0.00 6.75 8.13 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 0.00 543 M 8.82 4.54 0.00 2.24 2.46 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.44 0.00 544 K 8.73 4.22 0.00 1.85 1.90 0.00 1.82 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.47 1.45 7.81 545 G 8.45 3.88 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 0.00 0.00 0.00 546 G 7.88 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 547 K 7.98 4.13 0.00 1.74 1.88 0.00 1.70 0.00 0.00 1.63 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.47 7.81 548 H 8.10 4.59 0.00 3.07 3.43 0.00 5.89 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 549 S 8.04 4.53 0.00 3.84 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 0.00 550 K 8.43 3.99 0.00 1.55 1.65 0.00 1.21 0.00 0.00 1.43 0.00 0.00 2.61 0.00 0.00 2.44 0.00 0.00 0.00 0.00 0.79 0.21 7.81 551 Y 7.40 3.89 0.00 2.78 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 0.00 0.00 0.00 0.00 552 A 7.69 4.15 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.46 0.00 2.42 2.24 0.00 3.73 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.17 0.00 554 A 8.69 3.99 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.48 4.61 0.00 1.88 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 2.16 2.29 0.00 556 G 8.61 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 557 N 9.28 5.59 0.00 3.00 2.89 0.00 0.00 6.79 7.34 0.00 0.00 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 R 9.16 5.09 0.00 1.89 1.81 0.00 3.15 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.55 0.00 559 Y 9.11 5.14 0.00 3.61 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 0.00 560 D 8.96 4.66 0.00 2.73 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 561 G 6.53 3.44 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 0.00 0.00 0.00 0.00 562 I 8.68 5.03 2.10 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.94 1.06 0.00 0.00 563 Y 9.47 5.33 0.00 2.90 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 0.00 564 K 9.34 5.06 0.00 2.07 2.00 0.00 1.57 0.00 0.00 1.78 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.60 1.48 7.81 565 V 8.53 4.25 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 1.01 0.00 0.00 566 V 9.37 4.13 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 0.74 0.00 0.00 0.62 0.00 0.00 567 K 7.99 5.18 0.00 2.07 1.92 0.00 1.41 0.00 0.00 1.79 0.00 0.00 2.71 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.50 1.78 7.81 568 Y 8.80 5.53 0.00 2.75 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 569 W 8.73 5.47 0.00 3.29 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 0.00 570 P 0.00 4.13 0.00 1.49 0.49 0.00 3.72 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.58 0.00 571 E 8.57 4.70 0.00 2.05 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 0.00 2.05 2.25 0.00 572 R 7.95 4.86 0.00 1.63 1.93 0.00 3.18 0.00 0.00 2.83 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.35 0.00 573 G 8.29 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 574 K 8.72 3.96 0.00 1.78 1.90 0.00 1.78 0.00 0.00 1.77 0.00 0.00 3.08 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.44 7.81 575 S 7.99 4.20 0.00 4.24 4.12 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 0.00 0.00 0.00 0.00 576 G 8.14 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 577 F 7.49 4.76 0.00 3.08 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 0.00 578 L 9.47 4.58 0.00 1.65 1.53 0.76 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 579 V 8.65 4.81 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.00 0.00 0.78 0.00 0.00 580 W 9.36 4.47 0.00 3.33 2.98 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 0.00 0.00 0.00 0.00 581 R 8.16 4.89 0.00 0.67 0.66 0.00 2.90 0.00 0.00 3.03 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 1.33 0.00 582 Y 8.61 5.19 0.00 2.96 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 0.00 583 L 9.37 5.15 0.00 2.09 1.75 1.12 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 584 L 8.60 5.26 0.00 0.31 1.27 0.70 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 585 R 8.98 5.20 0.00 1.49 1.12 0.00 2.36 0.00 0.00 2.25 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.35 0.00 586 R 8.90 3.59 0.00 1.35 1.61 0.00 3.08 0.00 0.00 2.98 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.74 0.00 587 D 9.11 4.85 0.00 2.74 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 588 D 8.03 4.73 0.00 2.53 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 589 T 8.46 4.13 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 590 E 8.26 4.32 0.00 2.08 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.40 0.00 591 P 0.00 4.30 0.00 2.11 1.96 0.00 3.71 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.92 0.00 592 E 8.16 3.42 0.00 1.16 1.12 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 0.00 1.84 1.96 0.00 593 P 0.00 4.19 0.00 2.12 2.11 0.00 3.28 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 1.97 0.00 594 W 7.23 4.59 0.00 3.47 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 595 T 7.26 4.39 4.19 0.00 0.00 0.00 0.00 0.00 0.00 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 0.00 596 R 8.52 3.88 0.00 1.91 1.99 0.00 3.19 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.75 0.00 597 E 8.13 4.04 0.00 2.03 1.92 0.00 0.00 0.00 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 2.41 0.00 598 G 8.11 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 599 K 8.36 3.98 0.00 1.93 1.87 0.00 1.72 0.00 0.00 1.67 0.00 0.00 3.25 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.76 7.81 600 D 8.13 4.36 0.00 2.86 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 601 R 8.09 3.84 0.00 2.03 2.05 0.00 3.29 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.69 0.00 602 T 8.26 3.82 4.36 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 1.17 0.00 0.00 603 R 8.02 3.82 0.00 1.88 2.08 0.00 3.10 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 604 Q 8.10 3.96 0.00 2.17 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.74 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 605 L 8.28 4.25 0.00 1.61 1.68 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 606 G 7.82 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 607 L 7.73 4.18 0.00 1.61 1.50 0.90 0.68 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 0.00 608 T 7.87 4.64 4.20 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 1.19 0.00 0.00 609 M 8.38 3.81 0.00 1.68 1.82 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 2.27 0.00 610 Q 8.31 4.33 0.00 2.07 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.52 0.00 0.00 0.00 0.00 0.00 2.19 2.32 0.00 611 Y 8.35 5.17 0.00 2.96 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 612 P 0.00 4.32 0.00 2.12 2.05 0.00 4.23 0.00 0.00 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.35 0.00 613 E 8.95 4.12 0.00 2.05 1.88 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 2.21 2.35 0.00 * Residues marked with a * may have inaccurate shift predictions.