NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 498 D 4.7063 8.2227 120.4646 54.6213 43.1913 173.4651 499 K 4.1479 8.3871 119.7567 55.2484 35.8643 172.6413 500 A 4.9634 7.8836 125.2511 50.4656 22.8132 175.0708 501 G 4.0206 7.4292 107.3652 45.9064 0.0000 172.1878 502 V 4.7666 8.6761 120.4847 62.2067 32.2966 175.1092 503 L 4.9533 8.7013 126.5303 53.2240 46.4616 175.1800 504 H 5.2774 8.9858 118.5975 55.4637 30.4536 174.7623 505 R 5.2124 9.1865 117.7484 55.5417 33.0772 173.6994 506 T 4.5783 7.9597 114.2033 60.0401 71.1322 172.8025 507 K 3.9930 8.2108 128.8218 56.4379 32.5866 176.3724 508 T 4.4885 8.5975 114.6956 61.2494 71.4081 173.2964 509 A 4.8403 7.2955 123.0353 50.4356 23.1705 174.7092 510 D 4.7511 9.1288 121.8284 52.9221 41.8661 176.5666 511 K 4.4903 9.2026 128.5752 56.3691 30.1308 176.7313 512 G 3.8777 8.1910 106.2774 44.9341 0.0000 173.8415 513 K 4.4327 7.7704 120.2621 54.2315 33.3260 176.2124 514 R 4.3854 8.3264 123.5367 55.9906 30.7181 176.6441 515 L 4.2815 8.1995 122.1166 54.0664 42.6067 177.5070 516 R 4.0017 8.5763 122.2793 58.6825 30.2413 176.3543 517 K 4.6804 7.4418 113.5265 54.6034 35.9189 175.5059 518 K 4.0453 8.2523 118.3400 56.6539 33.0879 177.2560 519 H 4.9092 8.3868 117.4881 54.1450 29.0016 173.8217 520 W 4.7578 7.8694 119.5039 57.1481 30.2576 177.3746 521 S 4.8765 9.1547 118.1794 57.1765 67.6934 172.6601 522 A 5.0241 8.5353 123.7843 50.9799 20.5978 176.4804 523 S 4.8190 9.0570 116.1115 55.9014 67.2323 173.3564 524 W 5.0022 8.7196 130.8876 58.7885 31.8607 174.7405 525 T 5.0290 7.8520 121.5160 61.8568 72.6971 172.9610 526 V 4.7733 8.8057 125.4468 60.9856 35.1189 173.6351 527 L 5.1289 9.1748 130.5614 53.4910 44.0782 174.6928 528 E 4.9856 8.5839 126.9664 55.2180 33.5714 175.2110 529 G 4.0291 9.9546 115.4274 46.7872 0.0000 173.8839 530 G 3.8785 8.3098 103.5140 45.2680 0.0000 173.1680 531 V 4.7215 7.6931 119.0379 60.5966 35.0854 173.9323 532 L 4.9441 8.8424 130.0963 53.6845 44.1018 174.8310 533 T 4.7131 8.7213 123.9102 61.7130 71.2121 173.2600 534 F 5.0683 8.8006 126.2179 56.0633 40.7154 176.2491 535 F 4.6495 9.2330 123.6218 56.1187 40.1844 175.2359 536 K 4.0216 8.5666 121.2217 56.7405 32.6530 175.6773 537 D 4.6645 8.8479 123.5183 55.2691 41.1423 177.0801 538 S 4.0015 9.2128 119.4692 59.4515 63.7387 173.9793 539 K 4.9328 7.9560 120.6539 54.9987 33.5106 176.7034 540 T 4.1113 9.0061 115.9318 64.9660 69.2218 175.9419 541 S 4.3006 7.9761 114.7235 59.0854 65.4589 176.2920 *545 G 3.9176 7.6717 106.7947 45.4103 0.0000 171.4373 546 L 4.8340 8.3279 119.6723 54.1808 42.2910 177.8726 547 R 4.2377 8.9119 122.9158 56.2698 30.9869 176.9935 548 Q 4.2055 8.6170 120.4910 55.0230 29.9069 175.4776 549 P 2.9700 0.0000 0.0000 65.5875 31.0114 179.1711 550 S 4.0011 7.6548 111.0070 61.0167 62.9032 175.9527 551 K 4.2721 7.7038 120.6983 57.3273 30.5473 177.2537 552 F 5.1577 7.4050 115.1141 56.3776 38.1926 177.4479 553 S 4.2580 8.2132 117.5385 61.5213 63.5708 174.1199 554 T 4.4257 7.5285 118.5821 61.8436 69.0594 172.3086 555 P 4.0378 0.0000 0.0000 63.3224 31.4675 175.6025 556 E 4.1305 8.9871 125.4191 57.8925 30.6973 175.8775 557 Y 5.0366 7.5968 115.9262 56.4399 42.0474 174.2785 558 T 4.8899 8.7634 119.9759 61.6119 71.5863 173.5967 559 V 4.2854 8.7656 126.0864 60.9097 34.0864 174.5346 560 E 4.3869 8.7935 128.3759 56.2382 30.1937 177.1599 561 L 4.2256 8.6493 123.1292 55.5854 42.3723 176.8337 562 R 4.0616 7.8633 119.8041 57.6425 30.0997 176.3962 563 G 3.8538 8.9887 112.7561 45.5429 0.0000 172.8197 564 A 4.6076 7.7749 121.0041 51.5973 20.0553 177.3952 565 T 4.6187 8.8921 115.8624 61.6154 71.6939 173.1241 566 L 5.3586 8.5993 127.9755 53.4358 44.7386 175.1948 567 S 4.8700 8.8200 118.7314 56.6894 67.1729 172.9960 568 W 4.6084 8.9881 120.7240 56.3619 29.3167 176.5312 569 A 4.3323 8.9582 127.2622 51.0055 18.9013 175.6987 570 P 4.3738 0.0000 0.0000 62.7076 32.0102 178.1787 571 K 4.1190 8.6738 120.8271 59.0700 32.1315 177.7155 572 D 4.6606 7.9401 115.9789 53.5340 40.0930 177.2891 573 K 4.1028 7.9248 121.6553 59.1793 32.4277 176.5358 574 S 4.8094 7.5939 110.6486 56.4535 65.3039 173.8367 575 S 4.2932 8.6641 119.3241 60.3373 63.2249 174.8436 576 R 4.1457 7.7709 120.2352 55.6180 30.6128 175.8897 577 K 4.4256 8.1323 118.7463 56.2589 33.9809 176.0528 578 N 4.4482 8.5862 115.3545 54.5921 35.6421 174.1897 579 V 4.6538 7.6151 117.6761 61.6209 34.0117 175.1539 580 L 4.9404 8.9519 127.9288 53.2100 44.4853 174.8300 581 E 5.0735 9.1135 122.9254 54.3192 32.5134 174.3030 582 L 5.2084 9.1059 128.7220 53.2583 45.2413 174.6956 583 R 5.1183 9.1145 127.4233 54.5508 32.6273 175.6594 584 S 4.8807 9.1304 121.8710 56.9274 64.4962 175.3973 585 R 3.8995 8.4288 117.3445 58.8953 29.5040 177.2126 586 D 4.4683 8.1019 116.7401 53.6940 40.1115 177.5594 587 G 4.0078 8.4339 109.9964 45.1442 0.0000 173.7715 588 S 4.6104 8.4032 116.4756 58.6486 64.2648 173.2258 589 E 5.1600 8.4981 121.0690 55.0185 33.9226 174.2821 590 Y 4.8571 8.9161 119.1226 56.3568 42.9211 174.1436 591 L 5.2266 8.5456 122.3953 53.2774 44.8017 175.6041 592 I 5.2421 8.6699 122.1801 59.8331 41.1653 174.2999 593 Q 4.9810 9.4387 126.3892 55.2931 32.9489 172.5300 594 H 4.9497 8.3790 121.2042 55.1024 32.2740 173.4928 595 D 4.3291 8.5765 123.8851 56.8890 41.1821 177.1969 596 S 4.4769 8.4016 114.4367 57.2948 63.0568 174.1752 597 E 4.1687 8.9646 128.8087 59.5347 29.3567 178.9524 598 A 4.0575 8.0309 121.2926 54.9071 18.5780 179.2141 599 I 3.7502 7.8140 118.4107 64.9017 37.2178 178.7065 600 I 3.8083 7.8514 120.3301 64.4539 36.9376 178.5083 601 S 4.3311 8.6698 114.6543 61.6529 62.3607 176.3263 602 T 3.9225 8.1851 112.5792 64.6206 68.3814 176.6434 603 W 3.9918 8.4513 121.8478 59.5240 29.0083 177.8000 604 H 4.0050 8.7324 118.7723 59.2155 29.2820 177.0466 605 K 3.9418 8.2969 121.0304 59.5157 32.0123 178.6052 606 A 3.8794 7.8430 120.6113 55.2662 18.3158 179.7070 607 I 3.6590 8.1417 118.5324 64.3680 37.0140 178.4342 608 A 3.9457 8.3308 122.0871 55.3444 17.9760 179.5123 609 Q 4.0146 7.9977 117.0045 59.2244 29.1762 178.3608 610 G 3.7134 7.9306 106.0492 47.7544 0.0000 175.4958 611 I 4.0909 7.8968 123.8944 64.5157 37.1791 177.3474 612 Q 4.3401 7.6067 125.1334 57.3151 28.2383 177.8658 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 498 D 8.22 4.71 0.00 2.57 2.74 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 0.00 499 K 8.39 4.15 0.00 1.23 0.74 0.00 0.82 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.89 7.81 500 A 7.88 4.96 0.99 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 0.00 0.00 501 G 7.43 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 0.00 502 V 8.68 4.77 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 0.87 0.00 0.00 1.22 0.00 0.00 503 L 8.70 4.95 0.00 1.45 1.35 -0.54 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 504 H 8.99 5.28 0.00 3.25 3.24 0.00 5.62 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 505 R 9.19 5.21 0.00 1.29 1.54 0.00 2.73 0.00 0.00 3.22 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.50 0.00 506 T 7.96 4.58 3.27 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 -0.29 0.00 0.00 507 K 8.21 3.99 0.00 0.96 1.28 0.00 1.39 0.00 0.00 1.56 0.00 0.00 2.64 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.91 0.39 7.81 508 T 8.60 4.49 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 0.92 0.00 0.00 509 A 7.30 4.84 1.07 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 0.00 0.00 510 D 9.13 4.75 0.00 2.61 2.48 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 0.00 511 K 9.20 4.49 0.00 1.87 1.83 0.00 1.70 0.00 0.00 1.56 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.38 1.31 7.81 512 G 8.19 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 0.00 513 K 7.77 4.43 0.00 1.81 1.69 0.00 1.66 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.47 1.49 7.81 514 R 8.33 4.39 0.00 1.75 1.80 0.00 3.16 0.00 0.00 3.18 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 515 L 8.20 4.28 0.00 1.52 1.53 0.79 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 516 R 8.58 4.00 0.00 1.75 1.95 0.00 3.17 0.00 0.00 3.27 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 517 K 7.44 4.68 0.00 1.78 1.68 0.00 1.62 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.24 1.20 7.81 518 K 8.25 4.05 0.00 1.75 1.34 0.00 1.83 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.11 1.34 7.81 519 H 8.39 4.91 0.00 2.94 3.21 0.00 5.85 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 520 W 7.87 4.76 0.00 3.14 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 0.00 521 S 9.15 4.88 0.00 3.82 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 522 A 8.54 5.02 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 523 S 9.06 4.82 0.00 4.15 3.97 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 0.00 0.00 0.00 524 W 8.72 5.00 0.00 3.19 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 0.00 525 T 7.85 5.03 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 0.49 0.00 0.00 526 V 8.81 4.77 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 1.02 0.00 0.00 527 L 9.17 5.13 0.00 1.91 1.57 0.97 0.63 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 0.00 528 E 8.58 4.99 0.00 2.07 1.72 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 2.21 2.11 0.00 529 G 9.95 4.03 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 0.00 0.00 0.00 530 G 8.31 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 0.00 531 V 7.69 4.72 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 0.87 0.00 0.00 0.96 0.00 0.00 532 L 8.84 4.94 0.00 1.63 1.27 0.76 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 533 T 8.72 4.71 4.05 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 0.00 0.00 0.00 0.53 0.00 0.00 534 F 8.80 5.07 0.00 3.01 2.96 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.23 4.65 0.00 3.30 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 536 K 8.57 4.02 0.00 2.08 1.95 0.00 1.92 0.00 0.00 1.92 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.54 1.45 7.81 537 D 8.85 4.66 0.00 2.75 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 538 S 9.21 4.00 0.00 3.73 3.66 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 0.00 539 K 7.96 4.93 0.00 1.89 1.93 0.00 1.78 0.00 0.00 1.87 0.00 0.00 3.04 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.37 1.36 7.81 540 T 9.01 4.11 4.27 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 1.27 0.00 0.00 541 S 7.98 4.30 0.00 3.59 3.72 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 *545 G 7.67 3.92 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 0.00 0.00 0.00 546 L 8.33 4.83 0.00 1.58 1.67 0.98 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 547 R 8.91 4.24 0.00 2.11 2.06 0.00 3.49 0.00 0.00 3.40 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.71 0.00 548 Q 8.62 4.21 0.00 2.01 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.83 0.00 0.00 0.00 0.00 0.00 2.43 2.29 0.00 549 P 0.00 2.97 0.00 1.83 1.64 0.00 3.44 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.95 0.00 550 S 7.65 4.00 0.00 3.92 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 0.00 551 K 7.70 4.27 0.00 1.94 1.95 0.00 1.65 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.42 1.58 7.81 552 F 7.41 5.16 0.00 3.39 3.24 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.21 4.26 0.00 4.02 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 0.00 554 T 7.53 4.43 4.31 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 1.23 0.00 0.00 555 P 0.00 4.04 0.00 1.79 1.63 0.00 3.66 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.80 0.00 556 E 8.99 4.13 0.00 1.74 1.66 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 1.47 1.74 0.00 557 Y 7.60 5.04 0.00 3.01 2.68 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 0.00 0.00 0.00 0.00 558 T 8.76 4.89 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 1.15 0.00 0.00 559 V 8.77 4.29 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.46 0.00 0.00 560 E 8.79 4.39 0.00 2.00 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 2.30 2.32 0.00 561 L 8.65 4.23 0.00 1.79 1.68 0.86 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 562 R 7.86 4.06 0.00 1.76 1.85 0.00 3.29 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 563 G 8.99 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.77 4.61 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 565 T 8.89 4.62 4.26 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 1.23 0.00 0.00 566 L 8.60 5.36 0.00 1.57 1.48 0.85 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 567 S 8.82 4.87 0.00 4.01 3.97 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 0.00 0.00 0.00 568 W 8.99 4.61 0.00 3.21 3.29 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.96 4.33 1.34 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 0.00 0.00 0.00 0.00 0.00 0.00 570 P 0.00 4.37 0.00 2.34 2.03 0.00 3.66 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 2.15 2.16 0.00 571 K 8.67 4.12 0.00 1.77 1.91 0.00 1.74 0.00 0.00 1.77 0.00 0.00 3.04 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.46 7.81 572 D 7.94 4.66 0.00 2.80 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 0.00 573 K 7.92 4.10 0.00 1.81 2.05 0.00 1.67 0.00 0.00 1.64 0.00 0.00 3.05 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.48 1.44 7.81 574 S 7.59 4.81 0.00 4.06 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 575 S 8.66 4.29 0.00 4.02 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 0.00 576 R 7.77 4.15 0.00 1.66 1.62 0.00 2.21 0.00 0.00 2.56 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.23 0.00 577 K 8.13 4.43 0.00 1.73 1.75 0.00 1.90 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.36 1.39 7.81 578 N 8.59 4.45 0.00 3.17 3.03 0.00 0.00 6.47 7.68 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 0.00 579 V 7.62 4.65 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 1.32 0.00 0.00 1.07 0.00 0.00 580 L 8.95 4.94 0.00 1.49 1.48 0.74 -0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 581 E 9.11 5.07 0.00 2.01 1.79 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 2.19 2.19 0.00 582 L 9.11 5.21 0.00 1.78 1.57 0.93 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 583 R 9.11 5.12 0.00 1.87 1.74 0.00 3.13 0.00 0.00 3.22 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.63 0.00 584 S 9.13 4.88 0.00 4.07 4.07 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 0.00 585 R 8.43 3.90 0.00 1.95 2.26 0.00 3.03 0.00 0.00 3.46 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 586 D 8.10 4.47 0.00 2.93 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 0.00 587 G 8.43 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 588 S 8.40 4.61 0.00 3.91 3.58 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.50 5.16 0.00 1.65 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.35 0.00 590 Y 8.92 4.86 0.00 2.73 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 591 L 8.55 5.23 0.00 1.09 1.63 0.84 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 592 I 8.67 5.24 1.86 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.72 0.84 0.00 0.00 593 Q 9.44 4.98 0.00 2.09 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.67 0.00 0.00 0.00 0.00 0.00 2.44 2.00 0.00 594 H 8.38 4.95 0.00 3.17 3.12 0.00 5.79 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 595 D 8.58 4.33 0.00 2.65 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 596 S 8.40 4.48 0.00 3.98 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 597 E 8.96 4.17 0.00 2.41 2.46 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 2.43 2.47 0.00 598 A 8.03 4.06 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.81 3.75 2.04 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.97 0.98 0.00 0.00 600 I 7.85 3.81 1.96 0.00 0.00 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 1.47 1.08 0.60 0.00 0.00 601 S 8.67 4.33 0.00 4.25 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 0.00 602 T 8.19 3.92 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 603 W 8.45 3.99 0.00 3.52 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 604 H 8.73 4.01 0.00 3.02 3.52 0.00 5.60 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 605 K 8.30 3.94 0.00 1.93 1.96 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.50 7.81 606 A 7.84 3.88 1.13 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 0.00 0.00 0.00 0.00 0.00 0.00 607 I 8.14 3.66 1.87 0.00 0.00 0.96 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 0.91 0.90 0.00 0.00 608 A 8.33 3.95 1.34 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 0.00 0.00 0.00 0.00 0.00 0.00 609 Q 8.00 4.01 0.00 2.06 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.93 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 610 G 7.93 3.71 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 0.00 0.00 0.00 611 I 7.90 4.09 2.02 0.00 0.00 0.85 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 0.72 0.98 0.00 0.00 612 Q 7.61 4.34 0.00 2.10 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.75 6.55 0.00 0.00 0.00 0.00 0.00 2.28 2.23 0.00 * Residues marked with a * may have inaccurate shift predictions.