NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 449 D 4.7136 8.3649 120.1706 54.1801 42.6255 174.7295 450 W 4.5883 8.7780 123.5569 55.5633 30.8561 171.5468 451 E 3.3164 8.9060 122.9587 55.8512 30.2545 175.6783 452 I 4.2245 7.8376 128.4004 58.8967 37.9270 174.0542 453 P 4.2290 0.0000 0.0000 62.3588 31.9167 175.4753 454 D 4.4250 8.4069 120.5460 55.8758 41.4752 176.4995 455 G 4.0833 8.8997 114.7446 45.6404 0.0000 174.5977 456 Q 4.1618 7.5795 117.9365 58.1711 28.9686 176.3185 457 I 4.6032 7.5451 118.4358 60.1472 38.8679 175.8430 458 T 4.3186 8.3858 124.2700 62.1362 69.2194 174.3062 459 V 4.0004 8.2829 127.3918 61.4313 32.3635 174.5860 460 G 4.2243 8.8813 114.6376 45.7828 0.0000 175.5841 461 Q 4.2324 8.9176 125.5001 56.0356 29.5170 174.6458 462 R 3.7747 8.6878 124.7702 56.7117 30.2427 175.6427 463 I 4.1470 8.7553 128.1149 62.6875 38.3830 175.7885 464 G 4.0308 7.0765 106.0613 46.2012 0.0000 171.4470 465 S 5.2708 8.4551 115.2213 57.0125 65.8090 173.3338 466 G 3.3015 8.0917 108.2512 44.5842 0.0000 174.5138 467 S 4.0390 8.0445 113.8980 61.1649 62.6367 175.3762 468 F 4.3366 6.9660 114.8319 58.3961 37.9562 174.7452 469 G 4.4822 7.3223 106.5652 45.8412 0.0000 170.9609 470 T 5.0160 8.4600 116.5336 61.8097 71.4429 173.9202 471 V 4.8025 8.6653 126.1417 61.7119 33.3896 174.3041 472 Y 5.1884 9.3137 125.2060 56.0219 41.9739 174.4937 473 K 4.3502 8.8231 122.5632 55.5825 34.1291 175.6693 474 G 4.4365 8.8800 112.6889 44.6984 0.0000 170.9904 475 K 4.9779 8.5923 118.3310 54.4783 34.9530 176.3712 476 W 4.5684 10.0044 135.0000 56.6898 32.4126 173.9227 477 H 3.7664 9.3602 127.9061 56.8361 26.0379 173.7173 478 G 3.7880 7.8916 104.1498 43.8864 0.0000 172.3827 479 D 4.9501 8.3921 118.2740 54.6505 41.5168 176.4787 480 V 4.9057 8.7970 114.6264 59.8223 37.1171 173.8148 481 A 5.2863 8.9579 123.0829 50.2947 21.7714 175.4818 482 V 4.5715 8.9166 122.8854 61.0737 34.3034 174.5310 483 K 4.9264 8.9459 131.0163 55.0984 32.9076 174.9915 484 M 4.5093 9.2493 128.7705 54.9645 32.6947 176.3318 485 L 4.3136 8.5685 125.0522 53.9634 42.4459 178.2955 486 N 4.5944 8.1679 121.8242 52.9435 36.8398 175.9986 487 V 4.1797 7.1243 117.3459 61.1636 33.0967 174.2695 488 T 3.7592 8.2421 117.3206 63.5830 68.9067 173.4538 489 A 4.6849 7.5819 125.4109 48.4539 21.7634 173.3896 490 P 4.9398 0.0000 0.0000 61.5540 32.9867 176.4442 491 T 4.2562 8.9226 114.0639 60.5418 71.0355 173.8407 492 P 4.2592 0.0000 0.0000 66.3107 31.3308 178.9844 493 Q 4.0452 8.0159 116.1718 58.9425 28.7552 178.4276 494 Q 4.0895 8.0277 118.9623 58.5011 28.6772 178.4375 495 L 4.0293 8.2232 122.2190 58.1593 42.1551 178.8339 496 Q 3.9553 7.9912 119.4795 59.0879 28.9155 177.7242 497 A 4.0052 7.9051 121.4210 55.1359 18.3244 179.5322 498 F 4.2674 8.2417 118.9771 61.5730 39.6115 177.4808 499 K 3.4828 8.0267 118.0907 59.5911 31.9354 179.0160 500 N 4.3288 8.1880 116.5778 56.3200 38.3563 177.3455 501 E 3.9193 7.6403 118.6373 59.0991 29.4760 179.5287 502 V 3.1506 7.3778 118.5788 65.5536 31.2759 178.3244 503 G 3.5180 8.0665 104.7997 47.3204 0.0000 175.3385 504 V 3.7695 6.9979 119.4631 65.6040 31.5592 178.0737 505 L 3.9622 7.3523 118.1585 57.2269 41.0496 179.2702 506 R 3.7528 7.4900 118.3273 57.8556 29.9160 176.7873 507 K 4.4960 7.3598 116.5461 56.6660 32.9536 176.4825 508 T 4.6729 7.5918 111.2789 61.1242 68.5887 173.5803 509 R 4.4870 8.8985 127.0640 54.2618 30.5848 174.5375 510 H 4.4809 7.7037 120.3454 54.1014 32.9200 174.8479 511 V 3.6293 7.8865 124.2145 63.9477 31.7105 176.5696 512 N 5.4779 8.2188 115.6222 52.5086 39.2527 173.6503 513 I 4.6291 7.0121 120.1112 59.0555 38.6171 175.3033 514 L 3.8354 8.5533 128.8146 55.3987 42.8101 176.4726 515 L 4.2241 9.1448 128.5014 54.5687 42.8769 175.5303 516 F 4.5710 8.8688 130.1202 58.7296 39.2725 174.3555 517 M 4.0972 8.1549 126.1043 56.1773 34.3720 175.7801 518 G 3.8458 6.3525 103.4436 46.1456 0.0000 171.5696 519 Y 5.5792 7.8621 116.1848 55.5731 41.9071 174.4194 520 S 4.9931 9.5732 117.0229 57.4146 65.6960 175.0419 521 T 4.3934 8.7459 117.8236 63.6752 70.7185 174.6252 522 A 4.6976 7.6026 122.2423 49.2777 22.1003 173.6549 523 P 4.2723 0.0000 0.0000 65.2211 31.3794 176.4742 524 Q 4.6198 7.3925 115.0051 52.4413 31.6148 174.6540 525 L 4.2008 7.9604 117.7012 54.9958 42.5609 176.4071 526 A 5.6666 8.7429 123.3903 51.2416 23.4487 174.7787 527 I 4.8452 8.5288 120.6468 59.6939 39.8488 174.6885 528 V 4.7654 9.0443 128.0809 61.7143 33.5486 174.8585 529 T 4.9236 8.6073 117.6129 60.0253 72.5365 172.9827 530 Q 4.5851 8.4896 119.6129 56.2174 29.8452 175.2475 531 W 4.8135 8.6304 130.0295 56.2696 31.9841 174.8992 532 C 4.3179 7.4761 125.3518 58.1516 28.4340 173.6828 533 E 3.9833 8.6942 123.7927 55.9815 30.6177 178.2723 534 G 4.2325 10.3535 109.1643 45.3720 0.0000 174.2667 535 S 4.5299 8.1779 120.2142 55.7706 65.5600 173.4102 536 S 4.7961 8.4483 115.2834 57.9820 64.9541 174.6832 537 L 4.1215 9.0026 124.1019 58.1020 41.7108 178.6754 538 Y 4.1049 7.9641 120.8284 60.4966 38.8604 177.1213 539 H 4.2670 8.3014 119.2106 59.3994 29.6615 177.0974 540 H 4.1627 7.8030 117.3955 58.9155 28.7848 177.5584 541 L 3.9788 7.7617 119.2008 57.2343 41.4102 177.8527 542 H 4.6548 7.9018 112.4103 55.7680 31.4896 174.7052 543 A 4.1892 7.9798 121.2166 54.0012 18.7081 177.1395 544 S 4.2041 7.6456 108.2009 59.1688 64.8036 174.1423 *548 F 4.8061 7.7889 119.1646 56.2747 40.7471 175.2864 549 E 4.2564 8.4492 122.7160 55.9989 31.7004 177.3046 550 M 3.9746 8.6823 123.1417 58.7167 32.1356 178.5869 551 K 3.9071 7.9914 119.2424 59.3851 32.4367 178.7917 552 K 3.8587 7.8666 118.1869 59.4175 31.9853 178.9292 553 L 3.9940 8.0671 119.3141 58.1512 41.5849 179.8255 554 I 3.7079 7.7302 119.4094 64.1662 37.0206 177.9103 555 D 4.2685 7.9444 118.8987 57.5251 41.1442 178.3212 556 I 3.6485 8.0554 120.3745 64.5156 36.5958 178.3687 557 A 4.1384 8.2945 121.5962 54.8612 18.1702 179.8239 558 R 3.9368 8.4169 117.8334 59.8429 30.1838 178.7490 559 Q 4.0313 8.6177 118.2386 59.3029 28.6309 178.9169 560 T 3.8551 7.9719 116.1087 66.5980 68.4952 176.5517 561 A 3.6186 7.8762 121.9354 54.8022 18.3832 179.7737 562 R 3.8868 7.8783 116.7168 59.4347 30.2251 179.4887 563 G 3.3615 8.1009 105.4433 48.0553 0.0000 175.6730 564 M 3.5345 7.9104 121.7922 57.7334 31.6853 178.4100 565 D 4.1624 8.0508 118.5217 57.1928 41.3521 177.6660 566 Y 3.9255 7.8632 120.0885 60.5447 38.8048 177.8949 567 L 3.7578 7.7779 119.8162 58.3290 41.7136 179.4406 568 H 4.7903 8.1199 115.6517 58.7021 28.4007 177.7377 569 A 4.0473 7.9271 122.1474 54.5277 18.1492 178.7181 570 K 4.1591 7.4503 115.1231 55.0611 32.5688 176.8443 571 S 4.0882 8.1401 113.0696 59.7057 62.3060 172.6709 572 I 4.2444 8.1967 120.9291 60.6233 38.4178 175.9129 573 I 4.1487 8.0239 127.2843 60.2786 37.5377 175.2625 574 H 4.1053 9.1317 126.5604 58.7453 29.7507 177.5975 575 R 4.1304 9.6476 115.2538 56.6918 29.6635 176.4211 576 D 4.7443 7.6467 116.5224 52.7624 41.8066 175.2890 577 L 3.8520 7.7396 121.9845 54.5279 43.2496 175.4670 578 K 3.5447 7.6938 123.5822 54.9836 35.1204 176.7653 579 S 4.1547 8.4001 113.8495 60.8609 62.9647 175.4623 580 N 4.6277 7.7905 116.2240 53.7100 37.9249 174.8737 581 N 4.4733 7.7909 116.6720 52.8551 40.3281 174.0859 582 I 4.5246 6.9056 119.3119 59.5910 40.2656 174.3745 583 F 4.9478 8.8902 127.2665 55.9278 41.1048 175.9242 584 L 4.6494 8.6798 125.1991 53.6962 41.2369 173.9619 585 H 4.7068 8.9815 122.9453 56.2350 30.6932 175.0500 586 E 3.5845 9.5403 124.4281 56.3283 28.2758 174.5508 587 D 4.8264 8.1868 114.7048 55.3795 39.1948 173.6428 588 N 4.7083 7.7629 115.7191 54.6906 40.8751 175.0244 589 T 4.6822 7.5376 114.1166 62.2643 70.8283 174.1522 590 V 4.4772 8.8677 125.7406 61.8657 33.5260 174.8060 591 K 4.9817 9.2153 127.4188 54.7790 35.0398 175.1713 592 I 4.6495 8.8944 128.0472 60.5484 38.4240 175.8207 593 G 4.5041 8.5840 113.8404 45.2370 0.0000 171.7433 594 D 4.3968 8.5725 116.3553 54.5951 39.1138 174.4975 595 F 4.2695 7.4343 111.6132 56.8523 38.6372 176.6448 596 G 3.6094 7.3287 110.4717 48.6189 0.0000 174.6159 *615 G 3.9889 7.7113 104.1098 45.0671 0.0000 175.9346 616 S 4.6005 9.2987 122.5014 57.6264 63.1198 173.7173 617 I 4.5014 8.3776 118.1145 60.5356 38.5375 177.4153 618 L 4.0260 8.1345 120.8588 56.9417 41.8063 177.5569 619 W 4.7817 8.4753 116.5424 56.5272 29.6904 175.0770 620 M 4.3354 7.9868 119.8261 54.2081 32.2260 176.3826 621 A 2.7219 8.2900 126.4770 50.8796 19.7461 176.1137 622 P 4.0945 0.0000 0.0000 65.8286 31.1744 179.1129 623 E 3.9617 7.8812 113.9812 58.9762 29.5263 178.7896 624 V 3.4611 7.4078 119.0975 65.5015 31.6193 177.7981 625 I 3.8075 7.4259 118.4534 64.2969 37.1614 178.1826 626 R 3.8951 7.3924 114.8559 58.7109 31.0400 176.8925 *631 N 4.5843 7.6681 115.2227 51.7883 39.6003 172.5342 632 P 4.2125 0.0000 0.0000 65.4834 32.1641 177.2016 633 Y 4.4336 7.7766 115.7403 57.0611 38.6584 175.3580 634 S 4.6239 9.0197 119.5994 55.8685 67.9002 174.8224 635 F 4.0753 8.6270 119.3595 60.7766 38.5834 177.8704 636 Q 4.1842 8.2505 117.5657 58.6293 28.7447 178.3744 637 S 4.3554 8.0524 115.0778 61.2373 63.1764 176.3177 638 D 4.6061 8.2779 122.4910 57.2644 40.5995 178.7235 639 V 3.4687 8.0154 118.9604 65.9924 31.4923 177.4500 640 Y 4.5841 8.4327 120.0992 60.3513 38.8068 177.8408 641 A 4.6074 8.3373 122.7513 54.7222 18.4198 179.4411 642 F 4.4153 8.6023 119.4301 61.3750 39.4517 177.5361 643 G 3.5598 8.2346 105.4571 47.9385 0.0000 175.7001 644 I 3.5408 7.6749 122.1308 63.9271 37.0562 178.6465 645 V 3.9364 7.8181 118.9333 66.0651 31.2705 177.8497 646 L 3.7608 8.0844 118.9640 58.0569 41.4471 178.9223 647 Y 3.8864 8.0401 119.2813 60.6208 38.6250 177.9376 648 E 4.1593 8.5952 119.8360 59.5766 29.4227 179.4439 649 L 3.9787 7.7605 117.4379 58.0512 42.1276 179.0961 650 M 4.2034 8.3411 118.0196 56.7919 31.8502 177.8423 651 T 4.2451 7.4456 108.3102 60.3281 70.4746 175.3678 652 G 3.8423 9.0471 109.0107 45.4146 0.0000 172.7266 653 Q 4.5936 7.5544 115.4780 54.3297 31.6022 174.3854 654 L 4.2519 8.0157 118.7403 53.6186 41.7166 175.5435 655 P 3.7567 0.0000 0.0000 63.3783 31.3301 175.8993 656 Y 3.9788 7.9031 115.0357 59.2753 35.5381 173.3098 657 S 4.1532 7.5708 117.9321 61.7138 63.1818 175.7592 658 N 4.3301 8.2783 117.4109 56.0859 38.7451 174.4778 659 I 4.1389 7.1107 118.9625 60.1109 36.5237 175.6373 660 N 4.6570 8.1929 130.5104 52.3667 38.1346 176.2111 661 N 4.8195 7.4887 116.8404 51.2718 42.4278 172.7150 662 R 3.8483 8.7386 128.1689 60.0189 30.1809 177.6199 663 D 4.4675 8.1421 117.8174 57.4832 40.7587 178.9727 664 Q 3.8707 8.7265 120.2419 59.2829 29.0657 178.2890 665 I 3.4018 7.8846 121.1007 64.3012 36.9622 178.4819 666 I 3.6098 8.2290 120.9437 64.3264 36.4297 178.1881 667 E 3.8889 8.2455 120.1007 59.5748 29.5023 178.7101 668 M 4.1749 8.1966 120.3427 57.3629 31.8022 178.8826 669 V 3.8179 8.0052 118.9225 65.6266 31.4625 178.3961 670 G 3.6344 7.7019 105.2860 46.9330 0.0000 175.0542 671 R 4.3636 7.5538 115.3061 56.2389 30.1062 177.4419 672 G 3.9352 7.5698 106.7106 45.5835 0.0000 174.2668 673 S 4.4704 8.2623 114.3704 58.1841 63.8619 173.5621 674 L 4.9084 7.5097 122.4487 53.2755 44.7332 175.1652 675 S 4.8570 8.4139 117.7838 56.0352 65.8389 172.0510 676 P 3.6024 0.0000 0.0000 62.9127 31.1258 176.0009 677 D 4.5629 8.3409 121.5109 53.7341 40.5665 176.0951 678 L 4.6027 8.4726 126.2163 55.1545 41.6939 177.8339 679 S 4.4931 8.2081 112.9457 58.7198 63.3836 175.0489 680 K 4.1881 7.4664 119.5752 58.0537 32.5296 177.9440 681 V 4.0831 7.4015 110.8609 60.8756 31.9468 176.1804 682 R 4.2336 8.1279 122.1349 55.6310 31.0393 176.9154 683 S 4.2778 8.6937 116.5991 61.8992 62.9541 176.1201 684 N 4.7765 7.9366 116.5076 53.1922 36.9985 174.1600 685 C 4.5110 7.9518 120.2076 57.7119 32.9412 170.7669 686 P 4.1537 0.0000 0.0000 63.2882 30.8655 176.7825 687 K 4.3903 8.6151 120.8390 57.3865 31.7254 178.5444 688 R 4.2171 7.8017 120.3754 58.3142 30.0775 178.4033 689 M 4.0487 8.6065 119.1151 58.5677 32.3419 178.0228 690 K 3.8387 8.0230 119.3208 59.4596 32.3278 178.2807 691 R 3.8585 7.9980 118.4597 59.4772 30.0066 178.1314 692 L 3.9669 7.5306 118.7207 58.1393 42.1210 178.3232 693 M 3.9438 9.0739 119.0718 58.9003 31.9945 178.1613 694 A 4.0456 8.4074 119.4786 55.1695 18.3771 179.1461 695 E 4.0735 8.2055 117.3366 59.5825 29.6360 178.9763 696 C 4.4037 8.1730 116.3617 61.5443 28.1013 174.8562 697 L 4.2649 7.4276 119.1120 53.3725 41.5985 176.8310 698 K 4.1027 7.6776 119.2221 56.5077 32.5498 177.1298 699 K 4.0827 8.8874 123.3108 59.1589 32.5476 177.6181 700 K 4.2830 7.8738 118.9000 55.1842 32.8763 177.0126 701 R 3.8967 8.9391 124.8406 59.8249 29.8705 177.7952 702 D 4.5522 7.9805 113.7495 55.9355 41.0920 176.5972 703 E 4.4243 7.9407 117.9116 56.2690 29.5005 176.0600 704 R 4.8699 7.2150 117.7685 53.1406 31.8321 174.5116 705 P 4.4624 0.0000 0.0000 61.7695 32.3254 177.0962 706 S 4.3285 8.3175 117.1457 58.2325 64.9722 175.5240 707 F 4.0452 8.6343 120.7300 59.9762 38.5328 175.9926 708 P 4.2822 0.0000 0.0000 65.7368 31.1652 178.6881 709 R 3.9160 7.4930 116.4485 59.4512 30.0521 179.1730 710 I 3.7830 7.8426 119.6596 64.1752 36.9898 178.3271 711 L 3.9341 8.8325 121.8487 58.1019 42.0745 178.5346 712 A 4.0040 8.2753 121.0704 55.5355 18.2946 179.0725 713 E 3.8887 8.6976 116.9997 60.0111 29.3827 179.7377 714 I 3.8148 7.7772 118.7756 64.4319 37.4051 177.9489 715 E 4.0998 8.6796 120.6022 59.3084 28.3119 178.7982 716 E 4.0385 8.8060 119.3009 59.0581 29.3726 178.4416 717 L 4.0323 8.3150 116.5097 56.4689 40.6996 177.8441 718 A 4.3457 7.5156 121.9983 55.0158 19.5247 179.6417 719 R 3.9258 7.1534 115.7176 59.4656 30.2382 176.4469 720 E 4.1247 8.3085 120.9742 56.9616 29.5367 176.8548 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 449 D 8.36 4.71 0.00 2.66 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 0.00 450 W 8.78 4.59 0.00 3.73 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 0.00 451 E 8.91 3.32 0.00 1.39 1.65 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 2.09 2.08 0.00 452 I 7.84 4.22 1.46 0.00 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.43 0.50 0.00 0.00 453 P 0.00 4.23 0.00 2.19 2.00 0.00 3.67 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.09 0.00 454 D 8.41 4.42 0.00 2.59 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 455 G 8.90 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 0.00 456 Q 7.58 4.16 0.00 2.18 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.58 0.00 0.00 0.00 0.00 0.00 2.49 2.53 0.00 457 I 7.55 4.60 1.78 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.29 0.86 0.00 0.00 458 T 8.39 4.32 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 1.18 0.00 0.00 459 V 8.28 4.00 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 0.33 0.00 0.00 0.77 0.00 0.00 460 G 8.88 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 0.00 0.00 0.00 0.00 461 Q 8.92 4.23 0.00 1.98 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 7.05 0.00 0.00 0.00 0.00 0.00 2.46 2.35 0.00 462 R 8.69 3.77 0.00 1.81 1.75 0.00 3.10 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.66 0.00 463 I 8.76 4.15 2.09 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.40 1.02 0.00 0.00 464 G 7.08 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 0.00 465 S 8.46 5.27 0.00 3.64 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 0.00 466 G 8.09 3.30 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 0.00 467 S 8.04 4.04 0.00 3.69 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 0.00 468 F 6.97 4.34 0.00 3.29 3.33 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 0.00 469 G 7.32 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 470 T 8.46 5.02 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 471 V 8.67 4.80 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 1.07 0.00 0.00 1.04 0.00 0.00 472 Y 9.31 5.19 0.00 2.88 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 0.00 473 K 8.82 4.35 0.00 1.05 1.29 0.00 0.61 0.00 0.00 1.16 0.00 0.00 2.40 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.77 0.21 7.81 474 G 8.88 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 475 K 8.59 4.98 0.00 1.67 1.70 0.00 1.65 0.00 0.00 1.54 0.00 0.00 2.89 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.27 1.44 7.81 476 W 10.00 4.57 0.00 3.11 3.13 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 0.00 477 H 9.36 3.77 0.00 2.97 3.05 0.00 5.72 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 478 G 7.89 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 0.00 479 D 8.39 4.95 0.00 2.69 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 0.00 480 V 8.80 4.91 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 0.98 0.00 0.00 1.02 0.00 0.00 481 A 8.96 5.29 1.49 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 0.00 0.00 482 V 8.92 4.57 2.14 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 0.96 0.00 0.00 0.91 0.00 0.00 483 K 8.95 4.93 0.00 1.91 1.75 0.00 1.61 0.00 0.00 1.65 0.00 0.00 2.40 0.00 0.00 2.59 0.00 0.00 0.00 0.00 1.49 1.53 7.81 484 M 9.25 4.51 0.00 2.19 2.22 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.85 0.00 485 L 8.57 4.31 0.00 1.46 1.61 1.03 1.06 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 0.00 486 N 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 495 L 8.22 4.03 0.00 1.97 1.78 0.95 0.49 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 0.00 496 Q 7.99 3.96 0.00 2.17 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.53 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 497 A 7.91 4.01 1.45 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 0.00 0.00 498 F 8.24 4.27 0.00 3.16 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 0.00 499 K 8.03 3.48 0.00 2.07 1.73 0.00 1.74 0.00 0.00 1.65 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.34 1.73 7.81 500 N 8.19 4.33 0.00 2.90 2.80 0.00 0.00 7.01 7.26 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 0.00 501 E 7.64 3.92 0.00 1.97 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 2.24 2.40 0.00 502 V 7.38 3.15 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.95 1.02 0.00 0.00 528 V 9.04 4.77 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 0.80 0.00 0.00 0.73 0.00 0.00 529 T 8.61 4.92 4.40 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 1.23 0.00 0.00 530 Q 8.49 4.59 0.00 2.11 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.25 6.68 0.00 0.00 0.00 0.00 0.00 2.39 2.24 0.00 531 W 8.63 4.81 0.00 3.39 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 0.00 532 C 7.48 4.32 0.00 2.36 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 0.00 533 E 8.69 3.98 0.00 1.90 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 2.49 2.37 0.00 534 G 10.35 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 0.00 0.00 0.00 0.00 535 S 8.18 4.53 0.00 3.89 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.75 0.92 0.00 0.00 660 N 8.19 4.66 0.00 2.67 2.77 0.00 0.00 6.92 7.79 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 0.00 661 N 7.49 4.82 0.00 2.72 2.72 0.00 0.00 6.66 7.65 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 0.00 662 R 8.74 3.85 0.00 1.92 1.89 0.00 3.29 0.00 0.00 3.36 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.75 0.00 663 D 8.14 4.47 0.00 2.91 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 0.00 664 Q 8.73 3.87 0.00 2.23 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.81 0.00 0.00 0.00 0.00 0.00 2.30 2.36 0.00 665 I 7.88 3.40 1.87 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.53 0.49 0.00 0.00 666 I 8.23 3.61 1.83 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 1.39 0.88 0.88 0.00 0.00 667 E 8.25 3.89 0.00 2.07 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 2.27 2.34 0.00 668 M 8.20 4.17 0.00 1.99 1.97 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.34 0.00 669 V 8.01 3.82 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 0.97 0.00 0.00 0.66 0.00 0.00 670 G 7.70 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 0.00 671 R 7.55 4.36 0.00 1.98 2.02 0.00 3.02 0.00 0.00 3.45 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.59 0.00 672 G 7.57 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 0.00 673 S 8.26 4.47 0.00 3.99 4.09 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 0.00 674 L 7.51 4.91 0.00 1.44 1.35 0.98 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 675 S 8.41 4.86 0.00 4.02 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 0.00 676 P 0.00 3.60 0.00 1.67 0.76 0.00 3.63 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.55 0.00 677 D 8.34 4.56 0.00 2.78 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 0.00 678 L 8.47 4.60 0.00 1.70 1.70 0.94 1.07 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 0.00 679 S 8.21 4.49 0.00 4.00 3.98 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 0.00 680 K 7.47 4.19 0.00 1.64 1.77 0.00 1.71 0.00 0.00 1.69 0.00 0.00 3.22 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.57 1.59 7.81 681 V 7.40 4.08 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 1.02 0.00 0.00 0.89 0.00 0.00 682 R 8.13 4.23 0.00 1.87 1.84 0.00 3.18 0.00 0.00 3.19 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.57 0.00 683 S 8.69 4.28 0.00 3.86 3.91 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 0.00 0.00 0.00 0.00 684 N 7.94 4.78 0.00 2.80 2.89 0.00 0.00 5.79 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 0.00 685 C 7.95 4.51 0.00 2.90 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 0.00 686 P 0.00 4.15 0.00 2.21 2.03 0.00 3.64 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.14 0.00 687 K 8.62 4.39 0.00 1.72 1.84 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.65 7.81 688 R 7.80 4.22 0.00 1.83 1.98 0.00 3.29 0.00 0.00 3.27 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.62 0.00 689 M 8.61 4.05 0.00 2.19 2.02 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.57 0.00 690 K 8.02 3.84 0.00 1.85 1.79 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.51 1.50 7.81 691 R 8.00 3.86 0.00 1.92 2.08 0.00 3.24 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.70 0.00 692 L 7.53 3.97 0.00 1.87 1.89 0.95 0.94 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 0.00 693 M 9.07 3.94 0.00 2.11 2.03 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.56 0.00 694 A 8.41 4.05 1.35 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 0.00 695 E 8.21 4.07 0.00 2.18 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 0.00 2.50 2.50 0.00 696 C 8.17 4.40 0.00 3.12 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 0.00 697 L 7.43 4.26 0.00 1.58 1.61 0.80 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 698 K 7.68 4.10 0.00 1.81 1.92 0.00 1.99 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.68 1.72 7.81 699 K 8.89 4.08 0.00 1.76 1.88 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.49 1.52 7.81 700 K 7.87 4.28 0.00 1.83 1.74 0.00 2.12 0.00 0.00 1.75 0.00 0.00 2.85 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.43 7.81 701 R 8.94 3.90 0.00 1.83 1.94 0.00 3.18 0.00 0.00 3.51 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.74 0.00 702 D 7.98 4.55 0.00 2.71 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 0.00 703 E 7.94 4.42 0.00 2.15 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 2.28 0.00 704 R 7.21 4.87 0.00 1.87 1.84 0.00 3.30 0.00 0.00 3.25 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.86 0.00 705 P 0.00 4.46 0.00 1.99 1.95 0.00 3.65 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.18 0.00 706 S 8.32 4.33 0.00 4.03 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 0.00 707 F 8.63 4.05 0.00 3.12 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 0.00 708 P 0.00 4.28 0.00 2.16 2.12 0.00 3.55 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 2.11 2.32 0.00 709 R 7.49 3.92 0.00 1.89 1.97 0.00 3.29 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.80 0.00 710 I 7.84 3.78 1.95 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.00 0.96 0.00 0.00 711 L 8.83 3.93 0.00 1.82 1.90 0.94 0.26 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 0.00 712 A 8.28 4.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 713 E 8.70 3.89 0.00 2.16 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.53 0.00 714 I 7.78 3.81 1.95 0.00 0.00 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 1.51 0.85 0.98 0.00 0.00 715 E 8.68 4.10 0.00 2.25 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 2.32 2.40 0.00 716 E 8.81 4.04 0.00 2.23 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 2.34 2.41 0.00 717 L 8.31 4.03 0.00 1.74 1.79 0.94 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 718 A 7.52 4.35 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 0.00 0.00 0.00 0.00 0.00 0.00 719 R 7.15 3.93 0.00 1.97 2.03 0.00 3.20 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.73 0.00 720 E 8.31 4.12 0.00 1.93 1.90 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 2.33 2.40 0.00 * Residues marked with a * may have inaccurate shift predictions.