NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *459 F 4.5564 8.3131 119.0264 56.2080 40.1720 175.4811 460 G 3.8320 8.3127 110.0392 45.8668 0.0000 172.1910 461 Y 4.4254 7.3559 117.8292 57.8558 39.6230 173.3057 462 W 5.0540 7.9771 117.5648 56.0334 31.9771 172.8207 463 C 4.8949 8.7978 114.6593 57.3025 33.2839 172.4377 464 S 4.9968 8.9881 114.0671 55.9386 65.2540 171.6033 465 P 4.7448 0.0000 0.0000 63.0839 31.8880 176.7881 466 S 4.9772 9.0504 118.2203 57.1307 65.2045 173.6585 467 P 4.1612 0.0000 0.0000 66.0141 30.7460 178.8472 468 E 4.0759 8.1060 116.1367 59.4014 29.7630 178.8539 469 Q 4.1535 8.0433 117.7896 58.8331 28.8457 178.6431 470 L 3.8508 7.9719 120.5292 57.4105 41.2977 179.1566 471 E 4.3577 7.9902 116.2134 58.6585 29.6048 177.7143 472 R 4.3848 7.3896 117.4504 56.1215 30.1863 175.9532 473 L 4.8147 7.4426 118.3069 53.0444 43.8126 177.0864 474 S 4.5022 8.6926 116.2754 57.7121 65.1846 175.1383 475 L 3.9906 8.5536 126.4739 58.9847 41.8868 179.7628 476 K 4.1696 7.9610 123.2549 59.7135 31.9246 181.9043 477 Q 4.2183 8.1407 119.1881 58.8529 28.6561 178.7101 478 L 4.1178 8.3714 119.2733 56.6621 41.4186 178.6559 479 A 4.6318 7.8710 120.4878 53.1578 19.5118 176.4686 480 A 4.9089 7.4917 117.8807 50.3741 19.2298 174.5871 481 V 4.0239 8.9326 121.7024 61.4754 33.3352 175.5544 482 S 5.3449 8.6228 123.4402 57.4204 64.5106 173.2014 483 N 4.2915 8.7974 116.7590 54.3985 35.9967 174.2543 484 F 4.9152 8.2334 120.2293 58.2642 41.0055 174.0818 485 V 4.7657 7.9870 124.9634 61.1842 35.2641 173.6554 486 I 4.2741 8.2706 127.0041 59.2162 41.7289 174.0952 487 G 3.7085 7.4087 114.9727 44.7545 0.0000 170.9735 488 R 4.6290 7.4881 118.9523 53.9443 32.9386 174.8794 489 R 4.0285 8.8745 126.8671 58.0298 30.4055 177.4332 490 G 4.0320 9.0889 110.5011 45.5430 0.0000 172.7900 491 Y 4.3781 9.3016 116.0750 57.4871 40.6200 175.8369 492 G 3.7497 6.7088 104.4026 46.9998 0.0000 169.8683 493 C 4.9190 7.9897 117.8757 58.3789 35.8178 174.0553 494 I 4.5901 8.8523 126.0942 59.7891 39.6548 174.6446 495 T 4.6560 8.6943 124.6730 61.5195 70.0823 173.8403 496 F 4.3714 8.7988 126.0831 57.6174 39.1576 176.2365 497 Q 4.2926 8.9976 121.3703 57.8128 29.3521 175.3763 498 H 5.0865 8.0893 113.8529 53.3050 33.4333 172.2007 499 D 4.8019 8.6815 119.4637 55.6637 41.7312 176.6533 500 V 4.6725 8.6313 114.3620 59.5424 35.9320 174.2130 501 D 5.0970 8.3956 122.2500 52.0215 42.6873 176.2126 502 L 4.8954 8.7940 126.2161 54.7645 42.0171 178.7480 503 T 3.9551 8.2293 110.7690 63.8566 68.7664 175.3596 504 A 3.8860 7.2709 123.5656 53.4752 18.5758 177.5988 505 F 4.9551 7.6112 114.1709 57.1643 39.5484 177.5334 506 T 2.9902 7.7582 114.5262 64.1768 68.8825 176.2577 507 K 3.8028 7.8563 123.4528 57.4339 31.8210 182.6242 508 S 4.2072 7.3687 110.6946 56.1749 65.4495 175.9550 509 F 4.0677 8.1246 129.5932 60.5170 38.8112 177.5347 510 R 2.7998 7.7173 117.6410 59.3305 29.7630 178.3542 511 E 3.9622 7.8381 116.7810 59.0700 29.7005 178.9480 512 E 4.0573 8.3413 119.1888 59.1457 29.6064 179.1835 513 L 3.9599 7.6799 118.7537 56.4366 42.2452 176.9431 514 F 4.0229 7.6799 119.9194 57.7297 37.2590 175.5344 515 G 3.6324 8.3506 114.9658 45.5542 0.0000 171.9921 516 K 4.4225 6.9532 116.6341 55.8186 35.3128 181.8158 517 I 3.9385 8.2032 119.3172 62.9182 38.8371 175.7360 518 V 4.5665 7.6813 122.4798 60.9170 33.9689 174.7532 519 I 4.9947 8.6433 128.4665 59.6623 40.5710 174.4135 520 F 4.9341 9.1866 127.0996 56.4520 39.7205 175.8927 521 R 4.9503 8.7241 123.3263 54.1316 32.6859 177.8597 522 S 4.5098 9.0222 115.5215 60.8251 63.1977 175.1807 523 S 4.4677 8.2049 114.3635 58.1566 62.8671 173.8081 524 K 3.9866 8.3327 118.4720 58.1486 29.5668 174.3391 525 T 5.1034 7.7140 111.5367 60.6868 72.0411 172.3625 526 V 4.8030 8.3221 121.8863 59.7102 33.9283 174.4002 527 E 4.7305 9.0319 124.6461 54.2876 32.6537 174.4260 528 V 4.3570 8.1131 125.7849 61.7955 33.8949 174.2576 529 Y 3.6520 8.5581 127.1241 58.1756 34.8433 168.8825 530 P 4.3628 0.0000 0.0000 64.1713 32.4129 176.3622 531 D 4.6029 7.7728 118.4977 53.3668 40.3916 176.8227 532 E 3.9881 9.0740 124.1372 59.1330 29.7651 176.2646 533 A 4.1663 8.2910 121.2801 54.5933 18.5395 178.4032 534 T 4.1699 7.6986 104.7953 62.4462 69.7106 175.2478 535 K 3.3824 7.3913 123.2233 55.5690 33.8578 174.2855 536 P 4.3671 0.0000 0.0000 62.8568 30.3011 179.4352 *538 I 3.9825 8.7803 123.8807 63.3678 38.1461 175.6994 539 G 4.0458 9.7693 113.9983 45.3362 0.0000 172.8522 540 H 5.0579 7.9317 116.5105 54.7468 32.2818 175.1279 541 G 3.8400 8.1700 110.5507 47.1815 0.0000 174.6601 542 L 4.3125 9.6806 125.2553 54.6115 42.3048 176.9682 543 N 5.1609 8.3962 120.9986 52.2415 37.2836 173.0911 544 V 4.9877 7.6657 112.5590 58.9806 37.1838 174.1985 545 P 4.7204 0.0000 0.0000 63.4931 32.3950 175.6008 546 A 4.8535 8.9057 123.1575 51.0719 23.3794 174.9469 547 I 4.5863 8.3101 120.6178 59.5892 39.6035 175.0776 548 I 4.6959 8.1669 127.1463 59.5186 40.6829 174.5342 549 T 4.8684 8.5783 122.2239 61.6635 71.6753 172.9470 550 L 5.3181 9.1274 126.2099 53.1254 44.9548 175.5878 551 E 4.8216 9.2855 122.3807 54.9830 32.4490 175.4291 552 N 4.1568 8.1559 115.9687 54.3907 36.8548 174.7908 553 V 4.2917 7.9312 117.9073 61.8344 32.7330 174.2224 554 Y 4.7902 8.0972 123.4412 55.4904 41.8843 172.7637 555 P 3.5041 0.0000 0.0000 62.2760 32.2000 175.6631 556 V 4.0714 7.6183 114.5915 60.6546 33.1553 176.8015 *561 K 4.0740 8.3247 121.6587 54.9363 33.0176 174.8687 562 K 4.4463 7.8943 121.8828 54.1136 33.2495 179.4534 563 P 4.6552 0.0000 0.0000 63.8418 30.6992 178.2290 *565 K 3.8872 8.5265 126.5178 56.8883 33.5858 175.2500 566 D 4.5965 7.8191 120.4214 53.5610 40.2258 176.6472 567 T 4.2611 8.4005 116.7175 62.6288 69.3136 175.8916 568 T 4.1526 8.2622 115.1876 64.5855 70.0257 176.1846 569 K 4.1965 7.9531 127.4760 52.9605 30.6055 182.5552 570 F 4.5071 7.6871 120.1237 60.1996 38.1687 177.5216 571 A 4.3891 7.0991 122.0153 54.5908 18.2597 179.3325 572 E 3.8911 7.9909 116.6405 59.5096 29.5565 179.3544 573 F 4.2115 8.1953 117.6979 60.6728 39.0899 177.7546 574 Q 4.1685 8.4854 117.8729 58.8703 28.6226 178.8501 575 V 3.6881 7.8834 119.3702 65.9005 31.5522 177.8641 576 F 4.1347 8.1847 120.3173 61.3242 39.1635 176.4383 577 D 4.0450 8.5514 118.0394 57.5380 40.8018 178.5318 578 R 3.7135 7.8303 117.2354 58.7572 30.3532 178.6268 579 K 3.8723 7.6654 119.2185 59.5715 31.9658 178.7722 580 L 3.5854 7.0377 117.5481 57.7999 41.5088 179.6094 581 R 3.8503 7.6949 117.3534 57.3850 29.9113 176.9050 582 S 4.2290 7.3397 115.9210 57.8420 62.8953 174.4775 *584 R 4.3734 8.5780 126.7033 56.5555 31.3299 173.0036 585 E 4.3620 7.8940 112.2283 56.3137 30.2962 178.4374 *587 N 4.6722 8.0919 117.6764 53.6796 40.1737 173.7254 588 Y 4.5119 8.9907 125.6565 58.5485 39.1349 174.8268 589 I 4.5039 8.0694 126.0313 62.3571 39.3436 175.8368 590 S 4.3221 7.0020 113.2713 57.7137 65.9911 173.3393 591 Y 5.2070 8.5119 121.8692 56.5096 41.6945 173.3889 592 N 4.5916 8.6045 126.7521 51.1765 40.2853 173.6880 593 P 3.6348 0.0000 0.0000 64.9379 31.4518 176.0923 594 F 4.5189 7.8892 117.2917 58.0562 37.6218 174.8516 595 G 4.0072 9.0311 114.6913 44.0236 0.0000 171.7088 596 G 3.5758 7.1359 106.0932 45.7628 0.0000 174.4038 597 T 4.9111 7.6395 115.5691 61.9311 70.5072 175.6050 598 W 5.6054 9.2888 135.0000 56.2619 32.7887 174.6904 599 T 5.0385 9.0150 124.9117 61.7581 70.9429 173.5464 600 F 5.1592 8.2194 119.8443 55.8185 41.9386 172.5164 601 K 4.9162 8.8980 120.9144 54.7029 34.0686 175.5557 602 V 4.5092 8.5899 119.6155 59.7309 34.9591 176.3617 603 N 4.4230 8.5568 119.4494 54.0123 39.0894 174.4734 604 H 4.6276 6.4336 111.1638 56.1337 30.6805 173.8143 605 F 4.8759 9.6662 117.5963 57.4210 39.4847 175.7571 606 E 4.2458 8.7367 125.4498 56.8240 29.3044 177.0350 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 *459 F 8.31 4.56 0.00 2.32 2.24 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 0.00 460 G 8.31 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 461 Y 7.36 4.43 0.00 2.29 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 462 W 7.98 5.05 0.00 3.40 3.01 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 0.00 463 C 8.80 4.89 0.00 2.86 3.02 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 0.00 464 S 8.99 5.00 0.00 4.08 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 0.00 465 P 0.00 4.74 0.00 2.09 2.03 0.00 4.07 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.17 0.00 466 S 9.05 4.98 0.00 4.15 4.10 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 0.00 0.00 0.00 0.00 467 P 0.00 4.16 0.00 2.20 2.14 0.00 3.74 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.07 0.00 468 E 8.11 4.08 0.00 1.96 2.04 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 2.35 2.50 0.00 469 Q 8.04 4.15 0.00 2.35 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.42 0.00 470 L 7.97 3.85 0.00 1.05 0.45 0.44 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 471 E 7.99 4.36 0.00 2.29 2.30 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 2.58 2.40 0.00 472 R 7.39 4.38 0.00 1.96 2.00 0.00 3.15 0.00 0.00 3.24 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.82 0.00 473 L 7.44 4.81 0.00 1.76 1.56 0.85 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 474 S 8.69 4.50 0.00 4.06 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 0.00 475 L 8.55 3.99 0.00 1.64 1.74 0.91 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 476 K 7.96 4.17 0.00 1.80 1.80 0.00 1.85 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.44 1.09 7.81 477 Q 8.14 4.22 0.00 2.26 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 478 L 8.37 4.12 0.00 1.84 1.75 1.15 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 479 A 7.87 4.63 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 0.00 480 A 7.49 4.91 1.20 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 0.00 0.00 481 V 8.93 4.02 1.89 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 0.91 0.00 0.00 0.85 0.00 0.00 482 S 8.62 5.34 0.00 3.83 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 0.00 483 N 8.80 4.29 0.00 2.95 2.99 0.00 0.00 6.92 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 0.00 484 F 8.23 4.92 0.00 3.08 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 0.00 485 V 7.99 4.77 2.02 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 0.80 0.00 0.00 0.98 0.00 0.00 486 I 8.27 4.27 1.51 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.05 0.95 0.00 0.00 487 G 7.41 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 0.00 488 R 7.49 4.63 0.00 0.67 0.76 0.00 2.21 0.00 0.00 2.25 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.50 0.00 489 R 8.87 4.03 0.00 1.81 1.86 0.00 3.10 0.00 0.00 3.18 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.73 0.00 490 G 9.09 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 0.00 491 Y 9.30 4.38 0.00 2.69 2.99 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 0.00 492 G 6.71 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 0.00 0.00 0.00 493 C 7.99 4.92 0.00 3.00 2.69 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 0.00 494 I 8.85 4.59 1.66 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.92 0.24 0.00 0.00 495 T 8.69 4.66 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 1.18 0.00 0.00 496 F 8.80 4.37 0.00 3.27 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 497 Q 9.00 4.29 0.00 1.84 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.71 0.00 0.00 0.00 0.00 0.00 2.44 2.42 0.00 498 H 8.09 5.09 0.00 3.19 3.21 0.00 5.73 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 499 D 8.68 4.80 0.00 2.64 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 0.00 500 V 8.63 4.67 1.82 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 0.39 0.00 0.00 0.64 0.00 0.00 501 D 8.40 5.10 0.00 2.85 2.49 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 0.00 502 L 8.79 4.90 0.00 1.69 1.88 0.02 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 503 T 8.23 3.96 4.16 0.00 0.00 0.00 0.00 0.00 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 0.00 504 A 7.27 3.89 0.69 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 0.00 505 F 7.61 4.96 0.00 3.26 2.81 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 0.00 0.00 0.00 506 T 7.76 2.99 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 1.22 0.00 0.00 507 K 7.86 3.80 0.00 1.80 1.78 0.00 1.84 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.36 1.01 7.81 508 S 7.37 4.21 0.00 3.70 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 509 F 8.12 4.07 0.00 3.03 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 0.00 510 R 7.72 2.80 0.00 1.63 1.76 0.00 3.19 0.00 0.00 3.45 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.51 0.00 511 E 7.84 3.96 0.00 1.91 1.93 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 2.30 2.28 0.00 512 E 8.34 4.06 0.00 1.95 1.99 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 2.37 2.53 0.00 513 L 7.68 3.96 0.00 1.61 1.72 0.95 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 514 F 7.68 4.02 0.00 2.89 2.44 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 0.00 515 G 8.35 3.63 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 0.00 0.00 0.00 0.00 0.00 0.00 516 K 6.95 4.42 0.00 1.75 1.59 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.73 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.24 0.98 7.81 517 I 8.20 3.94 1.52 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.72 0.27 0.00 0.00 518 V 7.68 4.57 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.72 0.00 0.00 519 I 8.64 4.99 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.59 0.99 0.00 0.00 520 F 9.19 4.93 0.00 2.53 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 0.00 521 R 8.72 4.95 0.00 1.89 1.92 0.00 3.19 0.00 0.00 3.29 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 522 S 9.02 4.51 0.00 4.10 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 0.00 523 S 8.20 4.47 0.00 4.09 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 0.00 524 K 8.33 3.99 0.00 2.11 2.13 0.00 1.92 0.00 0.00 1.80 0.00 0.00 3.21 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.48 1.75 7.81 525 T 7.71 5.10 4.39 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 1.31 0.00 0.00 526 V 8.32 4.80 1.58 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 0.72 0.00 0.00 -0.05 0.00 0.00 527 E 9.03 4.73 0.00 2.01 1.76 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 2.22 2.26 0.00 528 V 8.11 4.36 1.38 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 0.33 0.00 0.00 0.25 0.00 0.00 529 Y 8.56 3.65 0.00 3.24 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 0.00 530 P 0.00 4.36 0.00 2.07 2.27 0.00 3.76 0.00 0.00 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.03 0.00 531 D 7.77 4.60 0.00 2.79 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 0.00 532 E 9.07 3.99 0.00 1.93 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 2.32 1.91 0.00 533 A 8.29 4.17 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.70 4.17 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 1.32 0.00 0.00 535 K 7.39 3.38 0.00 1.75 1.71 0.00 1.85 0.00 0.00 1.91 0.00 0.00 3.43 0.00 0.00 3.46 0.00 0.00 0.00 0.00 1.34 1.32 7.81 536 P 0.00 4.37 0.00 2.12 1.31 0.00 2.68 0.00 0.00 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.76 0.00 *538 I 8.78 3.98 1.85 0.00 0.00 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 1.29 0.42 0.96 0.00 0.00 539 G 9.77 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 0.00 0.00 0.00 0.00 540 H 7.93 5.06 0.00 3.15 3.12 0.00 5.79 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 541 G 8.17 3.84 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 0.00 0.00 0.00 542 L 9.68 4.31 0.00 1.68 1.67 0.65 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 543 N 8.40 5.16 0.00 2.97 2.94 0.00 0.00 6.94 7.03 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 0.00 544 V 7.67 4.99 2.30 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 0.93 0.00 0.00 1.30 0.00 0.00 545 P 0.00 4.72 0.00 2.13 1.99 0.00 3.83 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.33 0.00 546 A 8.91 4.85 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 547 I 8.31 4.59 1.72 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.67 0.72 0.00 0.00 548 I 8.17 4.70 0.56 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.43 0.54 0.00 0.00 549 T 8.58 4.87 4.18 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 550 L 9.13 5.32 0.00 1.88 1.79 1.23 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 551 E 9.29 4.82 0.00 1.87 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.37 0.00 552 N 8.16 4.16 0.00 2.94 3.06 0.00 0.00 6.83 6.96 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 0.00 553 V 7.93 4.29 2.53 0.00 0.00 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 1.35 0.00 0.00 554 Y 8.10 4.79 0.00 2.87 2.56 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 0.00 555 P 0.00 3.50 0.00 1.71 1.25 0.00 3.42 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.16 0.00 556 V 7.62 4.07 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 0.64 0.00 0.00 0.85 0.00 0.00 *561 K 8.32 4.07 0.00 1.80 1.73 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.01 7.81 562 K 7.89 4.45 0.00 1.77 1.67 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.36 1.03 7.81 563 P 0.00 4.66 0.00 1.89 1.95 0.00 3.62 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.11 0.00 *565 K 8.53 3.89 0.00 1.50 1.34 0.00 0.76 0.00 0.00 1.24 0.00 0.00 2.76 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 1.16 7.81 566 D 7.82 4.60 0.00 2.65 2.56 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 0.00 567 T 8.40 4.26 3.68 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 0.65 0.00 0.00 568 T 8.26 4.15 4.32 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 0.00 0.00 0.00 1.33 0.00 0.00 569 K 7.95 4.20 0.00 1.73 1.77 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.86 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.24 7.81 570 F 7.69 4.51 0.00 3.36 3.45 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 0.00 0.00 0.00 0.00 571 A 7.10 4.39 1.24 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 0.00 0.00 572 E 7.99 3.89 0.00 1.99 1.78 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 2.29 2.29 0.00 573 F 8.20 4.21 0.00 3.39 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 0.00 574 Q 8.49 4.17 0.00 2.41 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.80 0.00 0.00 0.00 0.00 0.00 2.52 2.69 0.00 575 V 7.88 3.69 2.24 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 0.99 0.00 0.00 0.93 0.00 0.00 576 F 8.18 4.13 0.00 2.98 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 0.00 577 D 8.55 4.05 0.00 3.10 2.87 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 0.00 578 R 7.83 3.71 0.00 1.88 1.89 0.00 3.19 0.00 0.00 3.13 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.77 0.00 579 K 7.67 3.87 0.00 1.69 1.57 0.00 1.59 0.00 0.00 1.48 0.00 0.00 2.83 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.21 1.36 7.81 580 L 7.04 3.59 0.00 1.50 1.48 -0.53 -0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 581 R 7.69 3.85 0.00 1.58 1.63 0.00 2.86 0.00 0.00 2.92 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.93 0.00 582 S 7.34 4.23 0.00 3.95 3.93 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 *584 R 8.58 4.37 0.00 1.88 1.93 0.00 3.25 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.20 0.00 585 E 7.89 4.36 0.00 1.98 1.84 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 2.19 1.89 0.00 *587 N 8.09 4.67 0.00 2.83 2.91 0.00 0.00 6.63 7.48 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 0.00 588 Y 8.99 4.51 0.00 3.19 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 0.00 589 I 8.07 4.50 1.83 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 1.28 0.94 0.85 0.00 0.00 590 S 7.00 4.32 0.00 3.82 3.84 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 0.00 591 Y 8.51 5.21 0.00 3.09 3.32 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 0.00 0.00 0.00 0.00 592 N 8.60 4.59 0.00 2.69 2.52 0.00 0.00 6.76 8.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 593 P 0.00 3.63 0.00 0.94 0.49 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 1.73 1.87 0.00 594 F 7.89 4.52 0.00 3.10 2.99 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 0.00 595 G 9.03 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 0.00 596 G 7.14 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 0.00 0.00 0.00 597 T 7.64 4.91 4.18 0.00 0.00 0.00 0.00 0.00 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 0.00 598 W 9.29 5.61 0.00 3.72 3.35 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 0.00 599 T 9.02 5.04 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 600 F 8.22 5.16 0.00 3.04 2.83 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.90 4.92 0.00 1.69 1.69 0.00 1.70 0.00 0.00 1.69 0.00 0.00 2.69 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.29 1.48 7.81 602 V 8.59 4.51 1.89 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 0.73 0.00 0.00 0.38 0.00 0.00 603 N 8.56 4.42 0.00 2.53 2.85 0.00 0.00 6.85 8.16 0.00 0.00 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 6.43 4.63 0.00 3.55 3.40 0.00 5.67 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 605 F 9.67 4.88 0.00 3.27 3.22 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 0.00 606 E 8.74 4.25 0.00 1.97 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 2.20 2.11 0.00 * Residues marked with a * may have inaccurate shift predictions.