NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 527 G 3.9197 8.3393 109.7362 45.0856 0.0000 173.3707 528 P 4.4699 0.0000 0.0000 61.5873 31.5694 173.9167 529 L 4.5460 7.4855 119.3733 54.7437 46.0461 177.5808 530 G 4.1250 10.2177 107.4929 46.1072 0.0000 172.6900 531 S 4.5992 7.9389 111.5262 55.0634 65.4279 173.3717 532 P 4.6439 0.0000 0.0000 64.3197 30.7956 178.6853 533 I 3.7595 7.5852 118.5547 64.2671 37.2275 177.7729 534 L 4.1732 8.0061 119.2430 56.9092 41.2939 178.5724 535 E 4.1446 8.0698 118.2807 57.6981 29.3732 178.6922 536 L 3.9850 7.7454 121.4642 58.0202 42.5661 178.8106 537 K 3.9701 8.0278 117.8262 59.0497 32.3406 177.3976 538 E 4.3388 8.2267 116.7076 57.3090 30.3117 176.5198 539 K 4.4371 7.7928 115.3512 57.8071 34.8103 178.3626 540 I 3.6771 8.4965 119.6463 64.3413 36.9866 178.2791 541 Q 3.9482 8.2099 120.6131 58.7964 28.8923 176.6817 542 P 4.2931 0.0000 0.0000 65.8280 31.3265 178.1394 543 E 3.9375 8.0675 118.0599 59.2718 29.4817 179.3182 544 I 3.7178 7.9175 119.8706 64.3333 37.0772 178.4945 545 L 3.9875 7.8756 119.8221 57.7390 41.3847 179.1937 546 E 3.9157 8.4448 119.7325 59.1651 29.4736 178.8471 547 L 4.0195 8.0295 119.7729 58.4907 40.5795 179.4596 548 I 3.6648 7.6709 120.6499 63.9882 37.0950 177.7554 549 K 3.7743 8.1601 120.8235 60.0770 31.8488 178.6959 550 Q 4.0291 8.2648 117.9563 58.8424 28.5896 178.5954 551 Q 3.9036 7.8971 120.6805 59.0720 27.8869 178.1552 552 R 3.8339 8.0059 119.1392 59.3340 29.9373 179.0603 553 L 4.0235 7.8742 118.6750 57.6355 41.6093 179.2291 554 N 4.3417 8.3317 116.6474 55.9272 38.3931 177.4614 555 R 3.8325 7.6744 119.4117 59.4641 30.1051 178.9841 556 L 3.4669 7.0806 115.6687 57.2832 41.2478 179.7123 557 V 4.0895 7.0449 119.3001 65.1651 31.4953 177.5503 558 E 4.1364 7.9454 118.5691 59.0034 29.9255 177.2090 559 G 4.1444 8.9946 102.9196 44.8411 0.0000 172.0220 560 T 4.5641 7.8947 113.3200 61.8856 73.0796 172.9879 561 C 5.0183 8.5302 125.7514 58.2354 32.9246 172.5158 562 F 5.1140 10.0296 125.3572 55.6452 41.7794 174.8582 563 R 4.3497 8.8019 122.8373 55.9709 31.2733 176.9380 564 K 4.1996 8.8605 126.3577 55.5730 30.6308 177.6995 565 L 4.0261 8.2284 124.4106 56.8014 41.8642 178.1899 566 N 4.8303 7.8033 113.3762 52.5360 39.1266 174.4606 567 A 4.0741 7.5237 123.8900 53.5433 19.3887 179.9256 568 R 4.6693 8.0535 117.3591 55.3201 30.5419 174.0197 569 R 4.6695 7.4243 121.7987 54.8472 33.3704 178.1965 570 R 3.9748 8.6556 119.7632 59.7084 29.4632 177.1693 571 Q 4.5806 7.6433 115.4009 53.1350 29.7832 176.7146 572 D 4.4728 8.4231 115.9676 55.5620 41.5261 176.3280 573 K 4.7821 7.9790 121.5038 54.6863 36.0610 174.8625 574 F 5.4709 8.7569 119.4665 55.8797 44.0638 173.7070 575 W 5.6886 9.8890 129.9241 56.4655 34.3501 172.8268 576 Y 5.1675 9.0161 128.3817 56.0934 41.3229 173.7667 577 C 5.3177 8.1364 124.5474 57.7795 35.3217 172.8229 578 R 5.4836 9.2148 120.8672 55.0948 33.1213 173.5879 579 L 4.8601 9.2832 123.4851 54.2703 43.5251 176.4818 580 S 4.3144 9.2158 120.9743 57.8474 63.7439 173.5525 581 P 4.1933 0.0000 0.0000 65.7974 30.9476 177.3089 582 N 4.4539 8.1192 112.8807 52.9822 37.3774 175.5818 583 H 4.4022 8.3457 114.5902 56.8162 27.1841 175.2755 584 K 4.5063 7.5471 118.8489 56.7270 33.8610 176.3547 585 V 4.8717 7.8096 120.2065 61.0226 35.0976 174.1446 586 L 4.9121 9.1813 128.8226 55.0313 43.0385 175.5831 587 H 5.3978 9.5000 121.0458 54.3036 32.1124 172.5625 588 Y 5.4871 6.9584 118.7597 56.5222 41.6656 173.7787 589 G 4.3587 7.2947 108.7339 46.0266 0.0000 171.6287 590 D 5.3625 8.8541 120.4695 54.3899 41.6641 176.0981 591 L 4.9446 9.1375 122.2801 53.1113 44.7432 177.7773 592 E 4.2535 9.0654 121.4220 58.6654 29.9898 176.7220 593 E 4.8570 7.7504 115.7038 54.1795 33.6930 174.6854 594 S 3.6410 7.6662 116.0333 57.3351 62.7390 172.2755 595 P 4.3738 0.0000 0.0000 63.4279 31.9271 176.6414 596 Q 4.5470 8.4949 117.6178 54.8657 29.1361 175.5986 597 G 3.9571 7.3590 108.2310 46.4757 0.0000 172.8149 598 E 3.9487 8.7083 116.9326 55.7709 30.3168 172.7487 599 V 3.9622 7.8556 123.5262 59.4490 31.6841 173.7950 600 P 4.3265 0.0000 0.0000 62.7799 32.0482 177.5029 601 H 4.1596 8.7806 118.7109 58.6212 28.9337 177.4034 602 D 4.3016 7.3938 118.7160 56.9546 40.7720 177.9008 603 S 4.2280 7.3302 114.1018 60.7810 63.0585 175.0158 604 L 4.1627 7.4816 120.4158 54.2073 41.9773 177.0520 605 Q 4.0843 8.8235 120.8158 58.8912 28.7069 176.1290 606 D 5.0274 8.1791 117.4358 51.9221 44.7894 175.0820 607 K 4.7042 7.7225 117.0619 55.8189 35.6083 175.5144 608 L 4.5038 9.0054 124.0338 52.6781 45.1947 173.5635 609 P 4.5345 0.0000 0.0000 63.0732 31.8358 177.5638 610 V 3.5596 8.8641 124.7929 66.0793 31.6116 177.8823 611 A 4.0115 8.1028 121.0373 55.1050 18.0431 177.5862 612 D 4.6821 8.1695 113.9009 54.7851 41.3223 176.1011 613 I 4.3087 7.6960 122.0827 61.0335 37.5443 175.8973 614 K 4.3273 9.1031 126.0999 58.8800 32.2531 177.1693 615 A 4.7107 7.8469 119.4236 50.7955 22.8814 174.2980 616 V 4.8837 8.3772 119.3661 61.3931 33.3201 175.4113 617 V 4.7593 8.7018 120.1245 59.9979 35.7274 174.6429 618 T 5.1205 7.9987 117.2892 62.1585 72.9124 174.4938 619 G 3.8428 9.2500 113.6404 46.0938 0.0000 177.0934 620 K 3.8656 8.9334 121.6350 59.8111 32.2210 177.9571 621 D 4.5074 7.7217 118.2457 56.2821 41.1539 176.5150 622 C 4.4324 8.1134 118.9372 58.6150 28.6273 173.1356 623 P 4.2453 0.0000 0.0000 65.6184 31.0823 176.7304 624 H 4.5958 8.2611 112.2154 56.1677 28.8305 175.1761 625 M 4.4176 7.8587 118.8844 55.2109 32.1390 176.4165 626 K 4.3248 8.0152 122.1479 56.3392 32.2430 176.2567 627 E 4.5945 8.6895 126.2219 57.1021 36.8458 174.4077 *634 N 4.6861 9.1298 115.3844 52.7592 40.1543 180.0349 635 K 4.0029 8.3606 126.1723 59.0875 32.0422 182.2437 636 E 4.1517 8.0688 117.3163 60.7134 29.9504 181.7984 637 V 3.9896 7.6503 118.9536 64.7683 31.5244 178.2415 638 L 3.9352 7.6799 119.6681 57.6736 41.2896 179.0570 639 E 3.9433 7.7275 115.8317 57.8631 29.5723 177.2280 640 L 4.5262 7.9902 117.6987 54.0697 44.2523 175.7622 641 A 5.2406 7.8855 122.6777 50.9697 20.4730 176.4688 642 F 5.5489 8.5844 115.6745 55.8474 42.1245 173.5236 643 S 5.1960 9.5750 115.5751 57.0904 67.4819 173.0373 644 I 4.9052 9.2351 124.9704 59.9435 38.9884 174.5899 645 L 5.1622 9.1459 128.6652 53.7661 43.3175 175.5205 646 Y 5.1230 8.3007 120.4945 56.1226 41.5779 175.4165 647 D 4.4015 8.5968 118.5750 54.8799 40.6321 174.1507 648 S 4.1484 9.2107 120.7231 60.9834 62.2924 175.7003 649 N 4.9302 8.6460 112.5568 50.8442 37.9319 174.2365 650 C 4.5404 7.6853 118.3743 59.2993 31.0137 174.5516 651 Q 4.9684 8.0760 118.2610 54.8990 31.5494 173.5475 652 L 4.3342 9.2322 125.6338 53.7547 43.4211 174.5249 653 N 5.0298 8.0091 123.7762 51.6076 40.5745 174.5562 654 F 4.3301 8.6344 119.9888 55.5630 43.7949 174.2010 655 I 4.9432 8.0919 120.3017 59.3909 39.0326 175.2807 656 A 4.6764 9.4505 130.2394 51.4923 18.9983 176.8577 657 P 4.4720 0.0000 0.0000 65.2996 31.9862 176.6210 658 D 4.7018 7.5363 113.9313 51.0349 43.6422 176.4032 659 K 4.1123 8.5312 119.4925 60.3640 32.4204 178.9595 660 H 4.3011 8.1376 117.1863 58.7805 28.7090 177.4194 661 E 4.0649 8.9313 120.7263 59.3648 29.2571 178.4255 662 Y 4.2452 8.2605 119.6790 61.3038 38.8700 178.2946 663 C 3.9890 8.4209 117.3254 62.6752 28.1795 176.0800 664 I 3.4928 7.8629 121.4736 64.1269 36.6792 178.5769 665 W 3.3689 7.7917 119.7475 59.5941 28.8257 178.8560 666 T 3.4729 7.3081 109.8946 64.6646 68.1891 176.0939 667 D 4.2629 7.9212 121.3820 56.8376 41.2644 178.4997 668 G 3.3487 7.7688 106.2083 47.5931 0.0000 175.7217 669 L 4.0005 8.1976 121.7283 57.4673 41.3681 179.1767 670 N 4.2447 7.9737 115.3861 56.3588 38.6079 176.7686 671 A 4.0844 7.5953 120.5291 55.2560 18.5172 179.1725 672 L 4.0171 7.8034 117.5311 57.5715 42.2976 178.2048 673 L 4.4440 7.8669 116.1574 55.0710 42.2564 176.8091 *674 G 3.7279 7.9314 112.9164 45.7218 0.0000 172.7239 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 527 G 8.34 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 0.00 528 P 0.00 4.47 0.00 2.27 2.15 0.00 3.74 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.01 0.00 529 L 7.49 4.55 0.00 1.56 1.51 0.92 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 530 G 10.22 4.13 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 0.00 531 S 7.94 4.60 0.00 3.81 3.65 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.64 0.00 2.19 2.19 0.00 3.93 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 2.11 2.04 0.00 533 I 7.59 3.76 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 1.52 0.46 0.91 0.00 0.00 534 L 8.01 4.17 0.00 1.97 1.71 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 535 E 8.07 4.14 0.00 2.13 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 0.00 2.32 2.31 0.00 536 L 7.75 3.98 0.00 1.67 1.65 0.92 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 537 K 8.03 3.97 0.00 1.73 1.81 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.51 7.81 538 E 8.23 4.34 0.00 2.16 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 0.00 2.30 2.27 0.00 539 K 7.79 4.44 0.00 1.90 1.77 0.00 1.67 0.00 0.00 1.81 0.00 0.00 3.10 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.41 7.81 540 I 8.50 3.68 2.01 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 1.61 0.94 0.91 0.00 0.00 541 Q 8.21 3.95 0.00 2.18 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 542 P 0.00 4.29 0.00 2.29 2.29 0.00 3.65 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 2.18 2.05 0.00 543 E 8.07 3.94 0.00 2.24 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 0.00 2.32 2.38 0.00 544 I 7.92 3.72 1.98 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 1.51 1.26 0.90 0.00 0.00 545 L 7.88 3.99 0.00 1.85 1.70 0.91 0.81 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 0.00 546 E 8.44 3.92 0.00 2.14 2.11 0.00 0.00 0.00 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 2.35 0.00 547 L 8.03 4.02 0.00 1.92 2.01 0.97 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 548 I 7.67 3.66 1.97 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 1.39 0.92 0.88 0.00 0.00 549 K 8.16 3.77 0.00 1.87 1.99 0.00 1.62 0.00 0.00 1.79 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.48 7.81 550 Q 8.26 4.03 0.00 2.23 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.60 0.00 0.00 0.00 0.00 0.00 2.55 2.51 0.00 551 Q 7.90 3.90 0.00 2.20 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.78 0.00 0.00 0.00 0.00 0.00 2.32 2.39 0.00 552 R 8.01 3.83 0.00 1.95 1.85 0.00 3.12 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.76 0.00 553 L 7.87 4.02 0.00 1.67 1.30 0.87 0.59 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 0.00 554 N 8.33 4.34 0.00 2.72 2.84 0.00 0.00 6.96 8.52 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 0.00 555 R 7.67 3.83 0.00 1.75 1.79 0.00 2.95 0.00 0.00 3.05 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.83 0.00 556 L 7.08 3.47 0.00 1.54 1.31 0.62 -0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 557 V 7.04 4.09 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 1.17 0.00 0.00 1.08 0.00 0.00 558 E 7.95 4.14 0.00 2.04 2.21 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 2.38 2.40 0.00 559 G 8.99 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 0.00 0.00 0.00 0.00 560 T 7.89 4.56 4.37 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 0.00 0.00 0.00 0.48 0.00 0.00 561 C 8.53 5.02 0.00 3.30 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 0.00 562 F 10.03 5.11 0.00 3.40 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 563 R 8.80 4.35 0.00 1.95 1.84 0.00 3.05 0.00 0.00 3.24 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.72 0.00 564 K 8.86 4.20 0.00 1.89 1.69 0.00 2.10 0.00 0.00 1.67 0.00 0.00 2.82 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.40 7.81 565 L 8.23 4.03 0.00 1.57 1.69 0.91 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 566 N 7.80 4.83 0.00 2.58 2.73 0.00 0.00 6.87 7.35 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 0.00 567 A 7.52 4.07 1.22 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 0.00 0.00 568 R 8.05 4.67 0.00 1.79 1.69 0.00 3.24 0.00 0.00 3.22 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.22 0.00 569 R 7.42 4.67 0.00 1.91 1.87 0.00 3.34 0.00 0.00 3.26 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.52 0.00 570 R 8.66 3.97 0.00 1.83 1.85 0.00 3.25 0.00 0.00 3.26 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.19 0.00 571 Q 7.64 4.58 0.00 2.06 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.91 0.00 0.00 0.00 0.00 0.00 2.23 1.94 0.00 572 D 8.42 4.47 0.00 2.81 2.21 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 0.00 573 K 7.98 4.78 0.00 1.54 1.66 0.00 1.69 0.00 0.00 1.88 0.00 0.00 2.83 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.39 1.37 7.81 574 F 8.76 5.47 0.00 3.06 3.09 0.00 0.00 0.00 0.00 0.00 0.00 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 W 9.89 5.69 0.00 3.37 3.08 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 0.00 576 Y 9.02 5.17 0.00 3.07 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 0.00 577 C 8.14 5.32 0.00 2.29 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 0.00 578 R 9.21 5.48 0.00 2.40 2.36 0.00 3.07 0.00 0.00 3.31 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.80 0.00 579 L 9.28 4.86 0.00 1.79 1.57 1.07 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 580 S 9.22 4.31 0.00 3.83 4.11 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.19 0.00 2.03 2.14 0.00 3.42 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.05 0.00 582 N 8.12 4.45 0.00 2.88 3.02 0.00 0.00 6.30 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 0.00 583 H 8.35 4.40 0.00 3.29 3.45 0.00 5.66 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 584 K 7.55 4.51 0.00 1.55 1.85 0.00 1.78 0.00 0.00 1.59 0.00 0.00 2.83 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.40 1.61 7.81 585 V 7.81 4.87 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 0.82 0.00 0.00 0.95 0.00 0.00 586 L 9.18 4.91 0.00 1.84 1.87 1.13 1.13 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 0.00 587 H 9.50 5.40 0.00 3.16 3.18 0.00 5.84 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 588 Y 6.96 5.49 0.00 2.07 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 0.00 589 G 7.29 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 0.00 0.00 0.00 0.00 590 D 8.85 5.36 0.00 2.69 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 0.00 591 L 9.14 4.94 0.00 1.76 1.76 0.99 0.80 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 0.00 592 E 9.07 4.25 0.00 2.02 2.08 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 2.37 2.31 0.00 593 E 7.75 4.86 0.00 1.87 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 2.25 2.24 0.00 594 S 7.67 3.64 0.00 2.72 3.40 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.37 0.00 2.27 1.88 0.00 3.77 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.82 0.00 596 Q 8.49 4.55 0.00 2.08 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.69 0.00 0.00 0.00 0.00 0.00 2.19 1.90 0.00 597 G 7.36 3.96 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 0.00 0.00 0.00 598 E 8.71 3.95 0.00 2.00 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 2.23 1.86 0.00 599 V 7.86 3.96 1.26 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 0.55 0.00 0.00 0.08 0.00 0.00 600 P 0.00 4.33 0.00 2.12 1.88 0.00 3.53 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.01 0.00 601 H 8.78 4.16 0.00 3.14 3.54 0.00 5.46 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 0.00 602 D 7.39 4.30 0.00 2.52 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 0.00 603 S 7.33 4.23 0.00 3.99 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 0.00 604 L 7.48 4.16 0.00 1.75 1.59 1.04 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 605 Q 8.82 4.08 0.00 2.15 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 606 D 8.18 5.03 0.00 1.90 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 0.00 0.00 0.00 607 K 7.72 4.70 0.00 1.51 1.41 0.00 1.45 0.00 0.00 1.59 0.00 0.00 2.82 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.20 1.34 7.81 608 L 9.01 4.50 0.00 1.84 1.65 0.45 0.61 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 0.00 609 P 0.00 4.53 0.00 2.31 2.02 0.00 3.68 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.11 0.00 610 V 8.86 3.56 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 1.04 0.00 0.00 0.99 0.00 0.00 611 A 8.10 4.01 1.32 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 0.00 0.00 612 D 8.17 4.68 0.00 2.96 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 0.00 613 I 7.70 4.31 2.06 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 1.39 0.53 1.00 0.00 0.00 614 K 9.10 4.33 0.00 1.83 1.90 0.00 1.84 0.00 0.00 1.73 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.51 1.46 7.81 615 A 7.85 4.71 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 0.00 616 V 8.38 4.88 2.11 0.00 0.00 0.00 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 1.00 0.00 0.00 617 V 8.70 4.76 2.15 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 0.75 0.00 0.00 1.06 0.00 0.00 618 T 8.00 5.12 4.35 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 1.36 0.00 0.00 619 G 9.25 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 0.00 620 K 8.93 3.87 0.00 1.87 1.98 0.00 1.58 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.49 7.81 621 D 7.72 4.51 0.00 2.88 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 0.00 622 C 8.11 4.43 0.00 3.01 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 0.00 623 P 0.00 4.25 0.00 2.16 2.18 0.00 3.82 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 1.95 0.00 624 H 8.26 4.60 0.00 3.22 3.33 0.00 5.48 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 625 M 7.86 4.42 0.00 1.93 2.23 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.30 0.00 626 K 8.02 4.32 0.00 1.71 1.78 0.00 1.73 0.00 0.00 1.74 0.00 0.00 3.39 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.47 7.81 627 E 8.69 4.59 0.00 1.94 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 1.87 0.00 *634 N 9.13 4.69 0.00 2.67 2.86 0.00 0.00 6.69 6.86 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 0.00 635 K 8.36 4.00 0.00 1.67 1.86 0.00 1.75 0.00 0.00 1.85 0.00 0.00 2.91 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.45 1.02 7.81 636 E 8.07 4.15 0.00 2.06 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 0.00 2.23 1.93 0.00 637 V 7.65 3.99 2.07 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 0.88 0.00 0.00 0.93 0.00 0.00 638 L 7.68 3.94 0.00 1.78 1.75 0.90 1.09 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 0.00 639 E 7.73 3.94 0.00 1.97 1.80 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 2.26 2.55 0.00 640 L 7.99 4.53 0.00 1.71 1.89 0.98 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 641 A 7.89 5.24 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 0.00 642 F 8.58 5.55 0.00 3.14 3.21 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 0.00 643 S 9.57 5.20 0.00 3.81 3.80 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 0.00 644 I 9.24 4.91 2.10 0.00 0.00 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 1.41 1.03 1.07 0.00 0.00 645 L 9.15 5.16 0.00 1.62 1.60 0.95 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 646 Y 8.30 5.12 0.00 3.20 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 0.00 647 D 8.60 4.40 0.00 2.75 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 0.00 648 S 9.21 4.15 0.00 3.93 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 0.00 649 N 8.65 4.93 0.00 2.74 2.78 0.00 0.00 5.91 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 0.00 650 C 7.69 4.54 0.00 2.03 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 0.00 651 Q 8.08 4.97 0.00 1.99 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.84 0.00 0.00 0.00 0.00 0.00 2.14 2.37 0.00 652 L 9.23 4.33 0.00 1.79 1.63 0.34 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 653 N 8.01 5.03 0.00 2.13 1.85 0.00 0.00 6.94 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 0.00 654 F 8.63 4.33 0.00 1.51 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 655 I 8.09 4.94 1.90 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 1.32 0.61 0.98 0.00 0.00 656 A 9.45 4.68 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 0.00 0.00 657 P 0.00 4.47 0.00 2.09 2.19 0.00 3.68 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 1.91 2.07 0.00 658 D 7.54 4.70 0.00 2.87 2.79 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 0.00 659 K 8.53 4.11 0.00 1.98 2.07 0.00 1.45 0.00 0.00 1.76 0.00 0.00 2.84 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.24 1.35 7.81 660 H 8.14 4.30 0.00 3.46 3.41 0.00 5.81 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 661 E 8.93 4.06 0.00 2.25 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.42 0.00 662 Y 8.26 4.25 0.00 3.26 3.28 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 0.00 663 C 8.42 3.99 0.00 3.27 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 0.00 664 I 7.86 3.49 1.90 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.75 0.38 0.00 0.00 665 W 7.79 3.37 0.00 2.83 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 0.00 0.00 0.00 666 T 7.31 3.47 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 0.29 0.00 0.00 667 D 7.92 4.26 0.00 2.74 2.60 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 0.00 668 G 7.77 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 0.00 0.00 0.00 669 L 8.20 4.00 0.00 1.60 1.72 0.98 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 670 N 7.97 4.24 0.00 2.78 2.84 0.00 0.00 7.01 6.91 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 0.00 671 A 7.60 4.08 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 0.00 672 L 7.80 4.02 0.00 1.83 1.87 0.94 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 673 L 7.87 4.44 0.00 1.72 1.70 0.96 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 *674 G 7.93 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.