NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 595 T 4.5913 8.1744 117.3311 63.4082 69.9342 173.1209 596 Y 4.1826 9.3724 128.6162 56.7942 39.5862 169.5181 597 V 4.0349 8.0747 126.6389 60.5554 34.0124 174.2690 598 D 4.1664 8.2621 127.9102 53.3339 41.5365 173.9757 599 P 4.2141 0.0000 0.0000 65.8372 31.4653 175.9731 600 H 4.2625 8.1981 115.1526 56.0027 27.1580 175.0982 *603 E 4.2886 8.4099 121.4174 55.5616 31.7440 176.0029 604 D 4.8811 7.4548 118.4173 51.1774 41.2611 173.8684 605 P 4.4058 0.0000 0.0000 65.3612 31.6329 178.0139 606 T 3.9941 7.7126 108.2616 64.4146 68.7596 176.5581 607 Q 4.0023 8.3025 120.5811 59.1804 28.5558 178.4960 608 T 3.8777 7.6903 117.5547 66.2152 68.3416 176.5495 609 V 3.6270 7.4637 121.8747 65.8697 31.3983 177.7051 610 H 4.1224 8.0679 115.8159 58.9572 29.7940 176.3252 611 E 3.8499 7.8113 120.3047 58.1320 29.6863 177.1824 612 F 4.8455 7.8939 114.0430 56.7889 40.3281 174.4664 613 A 4.8878 7.7825 123.6742 49.7714 21.5956 176.1386 614 K 4.1352 8.3532 121.4799 56.1442 33.6207 175.9282 615 E 4.6584 8.6333 126.1379 55.7164 29.8478 175.8316 616 L 4.4411 8.8356 128.1832 53.9781 43.3126 176.2232 617 D 4.5677 8.5059 121.4208 52.9783 42.1796 177.3060 618 A 4.0116 8.6410 129.5593 55.0475 18.7967 178.8234 619 T 3.8246 8.0444 110.3568 65.4076 67.4155 174.3397 620 N 4.6570 8.4918 116.4498 53.6586 39.0600 174.0017 621 I 5.0791 7.5733 120.2740 59.4064 39.2086 175.3186 622 S 4.8030 9.0145 120.7172 56.5625 66.5328 172.7144 623 I 4.7563 8.3810 122.3947 60.1369 38.3994 175.0096 624 D 4.8803 9.0245 125.9535 54.6566 43.9741 176.2682 625 K 4.2447 7.7289 118.8510 55.4470 35.5987 174.2556 626 V 4.3150 8.4594 128.2668 62.2058 31.9258 175.5257 627 V 3.7928 9.2600 128.9463 64.6456 32.0293 176.1435 628 G 3.8009 7.6864 108.7666 45.2591 0.0000 171.2862 629 A 4.4809 8.2350 127.2900 51.6260 19.2157 176.8396 630 G 4.3417 9.1544 111.1837 43.2278 0.0000 173.4041 631 E 3.5736 8.9732 118.8985 58.6352 29.6860 177.6311 632 F 4.7925 8.7387 114.3234 56.2805 40.9726 175.9577 633 G 4.2496 6.6262 107.7952 46.1792 0.0000 171.8741 634 E 4.8656 7.7400 122.1907 55.7549 31.8755 176.0704 635 V 5.1301 8.8986 114.6696 60.1191 35.6478 174.9951 636 C 5.4154 9.1724 118.9684 57.6272 33.4425 172.2926 637 S 5.0733 9.0650 112.7627 57.0251 66.4786 173.1306 638 G 4.2887 8.2144 106.8938 46.9508 0.0000 172.6324 639 R 5.2182 8.6914 121.5852 54.2535 35.0006 174.2256 640 L 5.1091 8.9732 124.0462 53.1377 45.2192 174.9811 641 K 4.7454 8.9606 128.6421 55.3925 32.8310 176.5961 642 L 4.4247 9.1144 128.2398 53.2414 42.6727 176.3469 643 P 4.2167 0.0000 0.0000 65.6638 31.2619 177.9467 644 S 4.2974 7.9187 109.8928 58.4058 63.1418 175.0322 645 K 4.0829 8.2637 120.2381 56.3487 30.7888 176.8209 646 K 4.0795 7.4361 117.8677 56.6665 32.5610 175.3093 647 E 5.2896 8.5970 121.2554 54.5462 32.0527 175.3791 648 I 4.7301 8.5276 116.9171 58.8766 41.3590 175.0755 649 S 4.7462 8.5641 119.2806 58.9587 63.6217 173.9580 650 V 4.8414 8.6303 114.7802 59.8543 36.5647 174.0241 651 A 4.8721 9.0585 125.2014 51.3959 20.4898 176.5766 652 I 5.1248 8.9405 121.9698 59.4535 41.3417 174.7574 653 K 5.3262 9.2616 125.1898 54.8511 35.8485 175.3833 654 T 5.1274 8.7501 113.6367 59.7902 72.1869 172.5447 655 L 4.1628 7.9089 125.5052 53.2350 42.6151 176.5763 656 K 4.1000 9.0142 126.1415 56.9311 33.6966 176.6532 657 V 3.7252 8.3519 121.8372 64.3577 32.0027 175.9328 658 G 3.7653 8.7650 114.0101 46.1813 0.0000 173.2104 659 Y 4.4662 7.2313 116.0767 57.1688 38.4942 176.8694 660 T 4.3691 9.2305 112.7403 61.1780 71.5080 175.8691 661 E 4.1440 8.7564 121.6788 59.5277 29.4087 179.5950 662 K 4.0019 8.1188 119.2887 59.6618 32.2753 178.7120 663 Q 4.2594 8.2181 118.4034 58.9602 28.5922 178.7803 664 R 3.7191 8.2955 119.7400 59.4096 30.1629 178.8029 665 R 3.9003 8.1623 117.8678 59.4542 29.8746 178.8572 666 D 4.3505 8.1115 117.5905 57.1169 40.9099 178.3099 667 F 3.4878 7.7801 121.1998 61.2249 39.4097 177.3345 668 L 3.8304 8.1585 118.3699 57.0622 41.2226 179.4346 669 G 3.7176 8.0105 106.2030 47.7628 0.0000 175.0928 670 E 4.0983 7.7536 121.0378 59.3501 29.5207 178.9342 671 A 3.9039 7.6822 120.6248 55.2049 17.9018 179.8031 672 S 4.0866 7.9818 113.1148 61.2959 62.8592 176.6432 673 I 3.6822 7.3301 122.7401 64.0965 37.2765 177.6812 674 M 3.4986 8.0953 119.3756 58.5414 31.8008 178.3500 675 G 3.9309 7.7440 105.5875 46.4093 0.0000 174.9105 676 Q 3.5760 6.9437 118.7452 55.9587 29.1062 175.6922 677 F 5.1734 6.8192 118.7566 55.7032 41.1016 175.3152 678 D 4.5592 8.6703 123.1887 53.3231 42.3056 173.5115 679 H 4.5740 8.1849 124.4666 53.7784 32.7713 172.7583 680 P 4.3113 0.0000 0.0000 65.0678 31.4011 176.6832 681 N 4.9489 8.3626 115.7314 52.7614 38.9570 173.2096 682 I 4.8998 7.5840 119.0465 59.0766 39.9394 175.7638 683 I 3.9216 8.6195 127.9865 62.0223 37.7549 175.7074 684 R 4.1831 9.0384 127.7781 55.7932 31.3964 174.8490 685 L 4.5029 8.4034 128.7552 54.5856 42.0539 176.0507 686 E 4.1168 9.2428 127.6136 57.1091 30.3973 177.6293 687 G 3.8962 6.8543 104.9811 45.5061 0.0000 170.9407 688 V 4.8111 7.9891 111.8447 59.4047 35.5162 175.0591 689 V 4.7685 8.6385 121.5230 61.6054 32.6142 175.9847 690 T 4.5377 9.4789 116.5312 61.2040 70.0502 174.6947 691 K 4.4488 8.2835 120.4647 56.2170 32.3824 175.8732 692 S 4.7019 7.5168 112.1626 57.0376 65.6387 173.3718 693 K 4.7669 8.2519 120.3938 53.6430 34.7480 174.6577 694 P 4.4211 0.0000 0.0000 62.3077 32.2940 176.3503 695 V 4.0237 8.1571 121.0120 63.6420 32.7938 174.4713 696 M 5.6469 9.1562 125.2639 53.7264 36.6967 174.1479 697 I 4.6698 8.9667 122.3158 59.4595 40.5837 174.6166 698 V 4.9026 8.8675 127.3701 61.3603 33.9473 174.4694 699 T 5.2707 8.9783 117.4811 59.1428 72.9875 172.5776 700 E 4.2062 8.7469 122.9019 57.0136 30.1388 175.8837 701 Y 4.3229 8.7726 128.1499 57.7524 40.6950 174.2561 702 M 4.4131 7.5869 124.8757 53.0238 34.1035 175.5111 703 E 3.6122 8.3652 125.0700 58.1152 29.8960 177.3434 704 N 4.5987 7.7670 113.1932 52.2448 39.4598 177.1391 705 G 3.7812 7.5880 107.4961 45.7475 0.0000 173.1949 706 S 4.5974 8.3462 116.0625 58.2803 64.6598 174.8463 707 L 4.0701 8.8595 128.4740 58.1082 41.9219 179.1828 708 D 4.4415 8.1193 119.0099 56.6783 39.2186 178.6560 709 S 4.2214 8.0674 114.3983 60.7176 63.2800 175.6676 710 F 4.4117 8.3613 124.2817 61.3268 39.2396 177.2021 711 L 4.2200 8.4158 118.6337 57.9091 41.1706 179.7278 712 R 4.1512 7.9698 117.3254 59.0723 30.0501 178.7681 713 K 4.1309 7.6831 116.7224 57.9356 32.6341 176.7368 714 H 4.9284 7.9071 116.7536 53.2291 29.7206 173.0414 715 D 3.8150 8.1851 118.1391 55.7485 41.2113 175.4995 716 A 3.1214 5.8000 126.9000 52.8979 15.9503 177.5088 717 Q 4.1840 7.4151 116.2836 56.8267 29.5088 175.5736 718 F 5.1497 7.8514 116.8919 55.7848 41.5514 176.1344 719 T 4.3707 9.0529 113.8914 61.2485 70.8780 176.0262 720 V 3.6173 8.3517 121.3621 66.3814 31.4984 178.1522 721 I 3.6849 7.7630 117.8090 63.9986 37.9260 177.7749 722 Q 3.9556 8.1148 118.9721 58.9311 28.5985 178.6763 723 L 3.8827 7.9130 119.9900 57.8150 41.5579 179.8182 724 V 3.7133 8.2259 118.6666 65.7865 31.4250 178.1937 725 G 3.6423 8.2685 105.6573 48.0450 0.0000 175.4847 726 M 4.0039 7.8807 120.8086 58.2767 31.9716 178.9467 727 L 4.0906 7.9990 119.0163 57.6844 41.6507 179.6204 728 R 4.0146 8.5165 119.3245 59.1958 30.0540 178.6607 729 G 3.6755 8.0857 105.5863 47.9945 0.0000 175.5948 730 I 3.7288 7.8175 122.4348 64.0411 37.1011 178.4172 731 A 3.7346 8.3722 121.6638 55.0359 18.1203 179.6832 732 S 4.0834 8.4741 112.1588 61.3874 62.4566 176.5324 733 G 3.4461 8.0661 108.4062 48.2071 0.0000 175.6074 734 M 3.6229 7.8928 121.3025 57.4132 31.5804 178.7545 735 K 3.9641 7.9284 121.6713 59.0158 32.3636 178.2760 736 Y 4.1053 7.7759 119.7062 60.6261 38.7129 177.7272 737 L 3.4825 7.7922 120.2622 57.7654 41.4114 179.7923 738 S 4.1692 8.2190 114.3808 61.5114 62.7612 176.1706 739 D 4.4520 8.1136 121.9533 57.2354 40.7891 177.9548 740 M 4.2926 7.8375 117.6155 55.3837 31.8871 177.7437 741 G 3.9784 7.8367 107.2464 45.9181 0.0000 172.4405 742 Y 4.0899 7.9249 120.9845 55.8250 39.2096 174.9284 743 V 4.1731 7.4521 127.3562 61.4234 32.7270 174.8384 744 H 4.0216 9.7241 128.3974 58.7281 29.8669 177.7701 745 R 4.3164 8.4641 115.2015 56.6613 29.1944 176.2155 746 D 4.8918 7.7755 117.1736 53.5747 42.0728 175.4339 747 L 3.8452 8.2746 121.4338 55.0418 42.6016 175.6076 748 A 4.4331 7.9344 126.0158 50.9695 21.8480 176.5625 749 A 4.0112 9.2076 124.1884 55.1551 18.6177 180.6921 750 R 4.4298 7.7925 110.4946 58.2955 29.8385 176.8967 751 N 4.7981 8.1942 115.4899 52.8707 39.9286 174.0455 752 I 4.8686 7.6163 120.9813 59.5566 39.7624 174.8109 753 L 5.1371 8.6708 126.1502 53.0345 45.0053 175.2286 754 I 4.8662 8.3170 121.2869 59.3730 41.4926 174.8868 755 N 5.0164 8.4939 127.2694 51.2394 39.6535 175.8153 756 S 4.2063 8.7351 112.4189 61.1059 62.9460 174.7097 757 N 4.6987 8.1999 116.0974 52.7090 38.4392 174.9991 758 L 3.5100 7.8479 116.2077 55.1317 39.8817 174.3845 759 V 3.8238 7.9737 120.3526 62.9437 32.4144 174.6471 760 C 5.2575 8.5663 125.2210 58.2887 30.1687 173.2989 761 K 4.7639 8.8305 121.4031 54.4929 36.4494 175.9092 762 V 3.8901 8.8125 124.9530 63.2646 32.6938 175.0433 763 S 4.8485 7.8630 121.7007 57.4212 65.4232 171.4014 764 D 4.1960 8.3545 112.4257 55.4535 38.0498 174.2097 765 F 4.7652 7.8728 114.4663 57.3426 39.9583 177.9203 766 G 3.6288 7.9545 110.5530 47.9335 0.0000 173.7641 *787 P 4.4767 0.0000 0.0000 60.4807 33.6115 177.9896 788 I 4.8533 7.7765 130.5372 63.1470 37.0248 176.3090 789 R 3.6660 8.0249 117.3168 58.1637 29.6396 177.4516 790 W 4.7550 8.4934 115.6214 56.6919 30.0757 175.3470 791 T 4.6949 7.5975 115.9386 61.6906 69.6873 175.5703 792 S 2.7900 7.9900 120.1936 57.0614 64.9814 173.6064 793 P 3.8809 0.0000 0.0000 65.7058 31.0376 178.8689 794 E 3.9343 7.7187 115.6218 59.2184 29.7094 178.9130 795 A 3.3172 7.2887 121.4969 54.5012 17.9724 179.7551 796 I 3.5193 7.2333 117.4067 64.3051 37.2480 178.2500 797 A 4.2528 7.9393 120.9990 54.6794 17.1195 179.1248 798 Y 4.7621 8.0020 115.3317 56.5877 38.3897 175.2659 799 R 3.7583 7.5810 115.8973 58.1826 28.1663 177.7206 800 K 3.8288 6.3284 118.6257 55.1972 30.4446 173.9915 801 F 4.5918 8.1879 121.7844 55.5336 40.4415 175.4504 802 T 4.7862 8.9192 115.3111 59.0451 72.2521 174.9074 803 S 4.2893 8.7220 116.3712 61.6602 62.6339 176.7747 804 A 4.0567 7.9180 124.0087 54.8908 18.0690 179.7405 805 S 4.2710 8.0725 112.7336 61.5527 63.1218 176.4868 806 D 4.6328 8.1978 122.3086 57.1910 40.6171 178.5963 807 V 3.3824 7.9815 119.0142 65.4303 31.5329 177.6473 808 W 4.6793 8.2136 129.4668 60.2299 30.4681 178.0452 809 S 4.7732 8.5260 116.1893 61.4155 62.3059 176.0491 810 Y 4.2147 8.8573 122.8016 60.6571 38.5656 178.3006 811 G 3.3831 8.3894 106.7031 47.9139 0.0000 175.6685 812 I 4.0692 8.0289 122.1035 64.1804 37.0984 178.6313 813 V 3.8919 8.3126 119.5064 65.9403 31.3223 177.6826 814 L 3.7419 8.0042 120.4279 57.8959 41.8628 178.8129 815 W 4.1077 8.3814 128.1449 60.4920 30.7072 177.7001 816 E 4.0255 8.7923 118.9470 59.4194 28.9440 179.5690 817 V 3.4070 8.0969 118.4435 66.3834 31.4941 178.0862 818 M 3.9921 7.7546 116.2761 57.4116 31.6886 177.8226 819 S 4.3144 7.4882 114.2683 57.1056 63.3835 173.4564 820 Y 3.1323 8.5152 118.5524 59.2683 35.5651 171.1226 821 G 3.9934 8.7937 103.9490 45.9587 0.0000 174.1469 822 E 4.1736 7.4320 117.0959 56.0835 30.1595 176.9221 823 R 4.2507 8.6541 122.2272 55.1431 30.8299 174.1766 824 P 3.1605 0.0000 0.0000 63.8998 31.7758 175.5268 825 Y 2.6424 6.4430 118.0351 57.3063 36.4545 170.8031 826 W 3.4977 6.3493 121.8589 58.5584 28.8385 175.6210 827 E 4.8149 8.9202 121.2847 56.6654 29.5291 175.8358 828 M 4.1402 7.9970 117.9030 55.5689 32.9236 177.4163 829 S 4.1721 8.5896 115.8150 58.7224 64.2525 175.0951 830 N 4.2333 8.8015 125.6865 56.7361 38.3541 177.5719 831 Q 3.9684 8.0130 118.7756 59.0457 28.7113 178.4886 832 D 4.3079 7.8400 119.5094 56.9250 41.0897 178.6733 833 V 3.2209 7.7493 118.9195 65.8396 31.4209 178.1603 834 I 3.5001 7.6061 119.3584 64.2594 36.9022 178.4290 835 K 3.8839 8.0891 120.1890 59.2670 32.0362 178.6566 836 A 3.9794 8.2096 121.4500 55.2532 18.3704 179.7446 837 V 4.0293 7.4747 117.5777 65.7543 31.3655 177.6346 838 D 4.3504 7.8438 116.6420 57.3916 41.1694 177.6462 839 E 4.2493 8.3623 117.2347 57.2373 29.8542 177.6886 840 G 4.0760 8.2262 107.7190 44.9399 0.0000 173.2072 841 Y 4.6570 8.3582 118.2579 58.1214 39.1781 175.0930 842 R 4.6992 9.2184 120.7949 53.9149 35.1636 174.6688 843 L 4.0412 7.5885 120.6879 54.3752 41.9726 175.7684 844 P 4.7549 0.0000 0.0000 61.1431 32.5091 174.2049 845 P 3.8668 0.0000 0.0000 61.8728 31.7745 174.7485 846 P 4.2771 0.0000 0.0000 62.1861 31.9427 175.3524 847 M 4.1403 8.3791 119.9542 57.3305 32.3937 175.6407 848 D 4.4209 8.7410 123.9638 55.3293 38.8011 173.0422 849 C 4.2801 7.7551 119.6684 58.1209 32.2547 171.1863 850 P 4.6468 0.0000 0.0000 62.9317 32.6013 176.9845 851 A 4.3214 9.2893 125.5711 54.8063 18.4111 180.0936 852 A 3.9547 7.9958 118.5350 55.2810 18.4693 179.6845 853 L 3.9914 7.8209 116.9841 57.8015 41.9067 178.7397 854 Y 4.1638 8.1058 119.5939 60.6794 38.6705 177.6929 855 Q 3.7264 8.4341 120.9351 59.1104 29.0300 178.1628 856 L 3.7696 7.6218 120.9630 58.2112 42.0557 178.7769 857 M 3.0431 7.6379 118.4687 58.1284 31.5563 178.6468 858 L 3.7814 6.8615 117.3232 57.8601 41.8615 179.1861 859 D 4.3771 7.9487 118.8560 57.5433 40.6442 178.6259 860 C 4.0922 7.9512 117.0914 61.5688 27.6598 175.0185 861 W 4.0234 6.8804 119.0025 55.1491 29.6389 176.2445 862 Q 4.1890 7.2999 118.7635 55.9334 28.8015 176.7666 863 K 4.0643 8.9945 123.8611 59.4783 32.5882 176.4192 864 D 4.5992 8.0745 120.7212 53.1300 40.9557 176.4979 865 R 4.0429 8.7354 124.7292 59.3055 29.4900 178.6706 866 N 4.3886 8.5624 115.3947 55.6618 38.5482 175.5083 867 N 4.6559 7.9598 113.7217 53.6407 39.1809 175.7791 868 R 4.3129 7.4339 118.3316 54.8704 30.8026 174.8288 869 P 4.4971 0.0000 0.0000 62.5337 32.2741 176.9032 870 K 4.1695 9.0307 119.7650 55.7589 34.1801 178.4433 871 F 4.0824 8.4859 119.8265 60.7959 38.7605 177.6189 872 E 3.9527 8.2332 118.5216 59.3739 29.3827 178.7929 873 Q 3.9871 7.9614 117.6738 58.8135 28.8720 178.4618 874 I 3.5995 7.7024 120.8795 64.3182 37.0661 178.4885 875 V 3.5873 7.9309 119.1462 66.3203 31.3496 178.2771 876 S 4.1337 8.0745 114.7393 61.4739 62.7191 176.7019 877 I 3.6946 8.0094 122.7997 64.5112 36.8096 178.5444 878 L 4.0450 8.0123 119.7007 57.8261 41.3393 179.2391 879 D 4.3404 8.4881 119.3447 57.2322 40.6414 178.7845 880 K 3.9325 8.1882 120.1223 59.4894 31.6908 178.9213 881 L 3.9910 7.8933 119.0711 57.7774 41.2743 179.5783 882 I 3.7787 7.8416 119.2665 64.5008 37.1262 178.4648 883 R 4.1661 8.2172 118.2009 57.5109 31.4233 176.5917 884 N 4.9918 8.1976 117.5923 50.4713 38.6849 172.7178 885 P 4.5582 0.0000 0.0000 64.7649 31.7905 178.6551 886 G 3.7475 8.2128 105.1672 47.7981 0.0000 175.5143 887 S 4.2061 8.3073 117.4577 61.4992 62.5998 176.2751 888 L 4.2171 7.6881 120.0095 56.5685 41.4548 178.8958 889 K 4.3539 7.7041 117.8688 57.3378 32.2512 176.9639 890 I 3.9693 7.2704 120.3543 61.0242 36.9185 174.7165 891 I 4.7360 7.9723 126.3940 60.4575 39.1292 175.7673 892 T 3.8076 8.8785 123.4475 65.8945 69.1280 176.5348 *899 S 3.9866 9.6549 123.1236 57.8331 64.7430 174.3846 900 N 4.9282 8.3926 113.5622 50.9966 42.6719 173.3656 901 L 4.7704 8.5982 124.7878 54.5158 43.3030 175.8480 902 L 4.9205 8.8429 121.6057 52.8053 44.3948 175.6269 903 L 3.7489 8.4604 126.0722 54.8245 42.6695 176.2447 904 D 4.5219 8.8506 125.9524 54.5107 41.3869 175.5594 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 595 T 8.17 4.59 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 1.26 0.00 0.00 596 Y 9.37 4.18 0.00 3.08 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 0.00 597 V 8.07 4.03 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 0.70 0.00 0.00 0.87 0.00 0.00 598 D 8.26 4.17 0.00 2.69 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 0.00 599 P 0.00 4.21 0.00 1.96 2.07 0.00 3.73 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.06 0.00 600 H 8.20 4.26 0.00 3.28 3.29 0.00 5.70 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 *603 E 8.41 4.29 0.00 2.10 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 2.17 2.30 0.00 604 D 7.45 4.88 0.00 2.64 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 0.00 605 P 0.00 4.41 0.00 2.21 2.18 0.00 3.67 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.30 0.00 606 T 7.71 3.99 4.24 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 1.22 0.00 0.00 607 Q 8.30 4.00 0.00 2.24 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.82 0.00 0.00 0.00 0.00 0.00 2.66 2.35 0.00 608 T 7.69 3.88 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 1.40 0.00 0.00 609 V 7.46 3.63 2.18 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 1.12 0.00 0.00 0.98 0.00 0.00 610 H 8.07 4.12 0.00 3.16 3.36 0.00 5.79 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 611 E 7.81 3.85 0.00 1.68 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 1.47 1.76 0.00 612 F 7.89 4.85 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 0.00 613 A 7.78 4.89 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 614 K 8.35 4.14 0.00 1.82 1.71 0.00 1.84 0.00 0.00 1.72 0.00 0.00 2.79 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.49 1.41 7.81 615 E 8.63 4.66 0.00 1.90 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 2.26 2.38 0.00 616 L 8.84 4.44 0.00 1.52 1.57 0.92 1.07 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 0.00 617 D 8.51 4.57 0.00 2.66 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 0.00 618 A 8.64 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 0.00 619 T 8.04 3.82 4.30 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 1.35 0.00 0.00 620 N 8.49 4.66 0.00 2.97 2.98 0.00 0.00 6.83 6.93 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 0.00 621 I 7.57 5.08 1.99 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.58 0.92 0.00 0.00 622 S 9.01 4.80 0.00 3.83 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 623 I 8.38 4.76 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.64 0.93 0.00 0.00 624 D 9.02 4.88 0.00 2.52 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 0.00 625 K 7.73 4.24 0.00 1.81 1.64 0.00 1.77 0.00 0.00 1.80 0.00 0.00 2.83 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.46 1.45 7.81 626 V 8.46 4.31 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.95 0.00 0.00 627 V 9.26 3.79 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 0.82 0.00 0.00 0.99 0.00 0.00 628 G 7.69 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 0.00 0.00 0.00 629 A 8.23 4.48 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 630 G 9.15 4.34 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 0.00 631 E 8.97 3.57 0.00 1.85 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 2.00 0.00 632 F 8.74 4.79 0.00 3.09 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 0.00 633 G 6.63 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 634 E 7.74 4.87 0.00 1.92 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 2.31 2.30 0.00 635 V 8.90 5.13 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 0.82 0.00 0.00 1.05 0.00 0.00 636 C 9.17 5.42 0.00 3.18 3.05 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 0.00 637 S 9.07 5.07 0.00 4.00 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 638 G 8.21 4.29 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 0.00 639 R 8.69 5.22 0.00 1.65 1.73 0.00 3.12 0.00 0.00 3.00 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.64 0.00 640 L 8.97 5.11 0.00 1.68 1.46 0.92 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 641 K 8.96 4.75 0.00 1.74 1.70 0.00 1.92 0.00 0.00 1.78 0.00 0.00 2.94 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.40 1.45 7.81 642 L 9.11 4.42 0.00 1.76 1.56 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 643 P 0.00 4.22 0.00 2.03 2.11 0.00 3.66 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.06 0.00 644 S 7.92 4.30 0.00 3.97 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 0.00 645 K 8.26 4.08 0.00 1.94 2.06 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.33 1.53 7.81 646 K 7.44 4.08 0.00 1.86 1.73 0.00 1.60 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.46 1.41 7.81 647 E 8.60 5.29 0.00 1.79 1.81 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 2.18 2.41 0.00 648 I 8.53 4.73 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.26 0.91 0.00 0.00 649 S 8.56 4.75 0.00 3.63 3.23 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 0.00 650 V 8.63 4.84 2.20 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 0.70 0.00 0.00 0.94 0.00 0.00 651 A 9.06 4.87 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 652 I 8.94 5.12 1.92 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.83 0.96 0.00 0.00 653 K 9.26 5.33 0.00 1.85 2.01 0.00 1.81 0.00 0.00 1.81 0.00 0.00 2.95 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.47 1.45 7.81 654 T 8.75 5.13 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 655 L 7.91 4.16 0.00 0.69 1.18 0.62 -0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 656 K 9.01 4.10 0.00 1.84 2.00 0.00 1.39 0.00 0.00 1.63 0.00 0.00 2.80 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.64 1.50 7.81 657 V 8.35 3.73 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.96 0.00 0.00 658 G 8.76 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 659 Y 7.23 4.47 0.00 3.14 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 0.00 660 T 9.23 4.37 4.30 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 1.25 0.00 0.00 661 E 8.76 4.14 0.00 2.06 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 2.46 2.37 0.00 662 K 8.12 4.00 0.00 1.88 1.89 0.00 1.77 0.00 0.00 1.88 0.00 0.00 3.02 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.61 1.61 7.81 663 Q 8.22 4.26 0.00 2.63 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.58 0.00 0.00 0.00 0.00 0.00 2.66 2.54 0.00 664 R 8.30 3.72 0.00 1.75 2.12 0.00 3.08 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.38 0.00 665 R 8.16 3.90 0.00 2.08 1.99 0.00 3.21 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.83 0.00 666 D 8.11 4.35 0.00 2.70 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 0.00 667 F 7.78 3.49 0.00 2.33 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 668 L 8.16 3.83 0.00 1.73 1.62 0.90 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 669 G 8.01 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 0.00 0.00 0.00 670 E 7.75 4.10 0.00 1.92 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 2.29 2.40 0.00 671 A 7.68 3.90 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 0.00 672 S 7.98 4.09 0.00 4.01 3.95 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 0.00 673 I 7.33 3.68 1.97 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 1.63 1.13 0.71 0.00 0.00 674 M 8.10 3.50 0.00 1.92 1.97 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.47 0.00 675 G 7.74 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 0.00 0.00 0.00 676 Q 6.94 3.58 0.00 0.93 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.57 0.00 0.00 0.00 0.00 0.00 1.16 1.43 0.00 677 F 6.82 5.17 0.00 2.95 2.86 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 0.00 0.00 0.00 678 D 8.67 4.56 0.00 2.59 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 0.00 679 H 8.18 4.57 0.00 2.77 3.00 0.00 5.73 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 680 P 0.00 4.31 0.00 2.13 2.08 0.00 2.99 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.81 0.00 681 N 8.36 4.95 0.00 2.87 2.89 0.00 0.00 6.93 7.21 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 0.00 682 I 7.58 4.90 1.93 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 1.22 0.86 0.95 0.00 0.00 683 I 8.62 3.92 2.04 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 0.78 0.96 0.00 0.00 684 R 9.04 4.18 0.00 1.92 1.88 0.00 3.08 0.00 0.00 3.13 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.57 0.00 685 L 8.40 4.50 0.00 1.62 1.52 0.96 0.98 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 0.00 686 E 9.24 4.12 0.00 2.04 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 2.35 2.42 0.00 687 G 6.85 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 688 V 7.99 4.81 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 0.60 0.00 0.00 0.95 0.00 0.00 689 V 8.64 4.77 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 1.00 0.00 0.00 690 T 9.48 4.54 4.24 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 1.20 0.00 0.00 691 K 8.28 4.45 0.00 1.77 1.88 0.00 1.76 0.00 0.00 1.76 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.40 1.58 7.81 692 S 7.52 4.70 0.00 3.94 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 0.00 693 K 8.25 4.77 0.00 1.78 1.81 0.00 1.85 0.00 0.00 2.01 0.00 0.00 3.01 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.41 1.44 7.81 694 P 0.00 4.42 0.00 2.17 2.06 0.00 3.79 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 695 V 8.16 4.02 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 1.14 0.00 0.00 0.80 0.00 0.00 696 M 9.16 5.65 0.00 2.02 1.92 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.54 0.00 697 I 8.97 4.67 1.70 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.30 0.79 0.00 0.00 698 V 8.87 4.90 2.09 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 1.09 0.00 0.00 0.95 0.00 0.00 699 T 8.98 5.27 4.34 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 1.22 0.00 0.00 700 E 8.75 4.21 0.00 2.14 1.94 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 2.34 2.31 0.00 701 Y 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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 0.00 0.00 0.00 0.00 0.00 796 I 7.23 3.52 1.83 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.48 0.81 0.00 0.00 797 A 7.94 4.25 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 0.00 798 Y 8.00 4.76 0.00 3.12 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 0.00 799 R 7.58 3.76 0.00 2.04 2.21 0.00 3.25 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.59 0.00 800 K 6.33 3.83 0.00 0.79 1.13 0.00 1.60 0.00 0.00 1.56 0.00 0.00 2.78 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.19 1.21 7.81 801 F 8.19 4.59 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 0.00 802 T 8.92 4.79 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 1.20 0.00 0.00 803 S 8.72 4.29 0.00 3.96 4.13 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 0.00 812 I 8.03 4.07 2.29 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.12 0.61 0.00 0.00 813 V 8.31 3.89 2.00 0.00 0.00 0.00 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 1.19 0.00 0.00 814 L 8.00 3.74 0.00 1.46 1.71 0.87 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 815 W 8.38 4.11 0.00 3.72 3.48 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 0.00 816 E 8.79 4.03 0.00 2.36 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 0.00 2.68 2.88 0.00 817 V 8.10 3.41 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 0.88 0.00 0.00 0.93 0.00 0.00 818 M 7.75 3.99 0.00 1.94 1.96 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.82 0.00 819 S 7.49 4.31 0.00 3.20 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 0.00 820 Y 8.52 3.13 0.00 3.16 3.16 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 0.00 821 G 8.79 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 0.00 0.00 0.00 822 E 7.43 4.17 0.00 1.88 2.18 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 2.49 2.47 0.00 823 R 8.65 4.25 0.00 1.99 1.93 0.00 3.33 0.00 0.00 3.49 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.76 0.00 824 P 0.00 3.16 0.00 1.25 1.14 0.00 3.68 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 2.01 0.00 825 Y 6.44 2.64 0.00 2.83 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 826 W 6.35 3.50 0.00 3.65 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 0.00 827 E 8.92 4.81 0.00 2.02 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 2.29 2.41 0.00 828 M 8.00 4.14 0.00 2.04 2.17 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.09 2.63 0.00 829 S 8.59 4.17 0.00 3.88 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 0.00 830 N 8.80 4.23 0.00 2.82 2.81 0.00 0.00 7.13 7.82 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 0.00 831 Q 8.01 3.97 0.00 2.06 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.92 0.00 0.00 0.00 0.00 0.00 2.42 2.43 0.00 832 D 7.84 4.31 0.00 2.81 2.65 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 0.00 833 V 7.75 3.22 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 0.07 0.00 0.00 0.69 0.00 0.00 834 I 7.61 3.50 1.92 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 1.27 0.36 0.82 0.00 0.00 835 K 8.09 3.88 0.00 1.91 1.75 0.00 1.51 0.00 0.00 1.63 0.00 0.00 3.03 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.61 7.81 836 A 8.21 3.98 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 0.00 837 V 7.47 4.03 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 1.45 0.00 0.00 0.87 0.00 0.00 838 D 7.84 4.35 0.00 2.74 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 839 E 8.36 4.25 0.00 2.38 2.18 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 2.41 2.56 0.00 840 G 8.23 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 0.00 841 Y 8.36 4.66 0.00 3.05 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 0.00 842 R 9.22 4.70 0.00 1.93 1.75 0.00 3.14 0.00 0.00 3.08 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.86 0.00 843 L 7.59 4.04 0.00 0.72 0.51 -0.94 -1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 844 P 0.00 4.75 0.00 2.33 2.37 0.00 3.98 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.47 0.00 845 P 0.00 3.87 0.00 1.88 1.06 0.00 3.66 0.00 0.00 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.55 0.00 846 P 0.00 4.28 0.00 2.04 1.66 0.00 3.59 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 1.84 1.22 0.00 847 M 8.38 4.14 0.00 1.95 1.97 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.56 0.00 848 D 8.74 4.42 0.00 2.88 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 0.00 849 C 7.76 4.28 0.00 3.10 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 850 P 0.00 4.65 0.00 2.21 2.12 0.00 3.67 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.28 0.00 851 A 9.29 4.32 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 0.00 852 A 8.00 3.95 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 0.00 853 L 7.82 3.99 0.00 1.84 1.71 0.92 0.79 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 0.00 854 Y 8.11 4.16 0.00 3.05 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 0.00 855 Q 8.43 3.73 0.00 2.21 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.57 0.00 0.00 0.00 0.00 0.00 2.31 2.47 0.00 856 L 7.62 3.77 0.00 1.87 1.74 0.84 0.95 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 0.00 857 M 7.64 3.04 0.00 0.51 1.49 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.36 0.00 858 L 6.86 3.78 0.00 1.47 1.57 0.69 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 859 D 7.95 4.38 0.00 2.67 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 860 C 7.95 4.09 0.00 2.48 2.91 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 0.00 861 W 6.88 4.02 0.00 3.01 2.20 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 0.00 862 Q 7.30 4.19 0.00 2.08 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.93 0.00 0.00 0.00 0.00 0.00 2.61 2.46 0.00 863 K 8.99 4.06 0.00 1.81 1.91 0.00 1.80 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.48 7.81 864 D 8.07 4.60 0.00 2.75 2.58 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 0.00 865 R 8.74 4.04 0.00 2.05 2.34 0.00 2.98 0.00 0.00 3.37 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.68 0.00 866 N 8.56 4.39 0.00 2.88 2.93 0.00 0.00 7.01 8.54 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 0.00 867 N 7.96 4.66 0.00 2.87 2.86 0.00 0.00 7.03 7.28 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 0.00 868 R 7.43 4.31 0.00 1.85 1.82 0.00 3.36 0.00 0.00 3.63 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.64 0.00 869 P 0.00 4.50 0.00 2.04 1.96 0.00 3.70 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.86 0.00 870 K 9.03 4.17 0.00 1.72 1.75 0.00 1.68 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.56 1.61 7.81 871 F 8.49 4.08 0.00 3.04 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 0.00 872 E 8.23 3.95 0.00 2.07 1.96 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 2.39 2.42 0.00 873 Q 7.96 3.99 0.00 2.24 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.68 0.00 0.00 0.00 0.00 0.00 2.42 2.42 0.00 874 I 7.70 3.60 1.87 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.89 0.63 0.00 0.00 875 V 7.93 3.59 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 1.12 0.00 0.00 0.99 0.00 0.00 876 S 8.07 4.13 0.00 4.04 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 877 I 8.01 3.69 2.00 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 1.49 1.21 0.89 0.00 0.00 878 L 8.01 4.04 0.00 1.84 1.73 1.02 0.90 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 0.00 879 D 8.49 4.34 0.00 2.86 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 880 K 8.19 3.93 0.00 1.98 1.92 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.48 7.81 881 L 7.89 3.99 0.00 1.94 1.70 0.92 0.70 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 0.00 882 I 7.84 3.78 2.02 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 0.59 0.91 0.00 0.00 883 R 8.22 4.17 0.00 1.88 1.99 0.00 3.10 0.00 0.00 3.15 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.63 0.00 884 N 8.20 4.99 0.00 2.74 2.77 0.00 0.00 6.87 8.57 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 0.00 885 P 0.00 4.56 0.00 2.31 2.30 0.00 3.97 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.90 0.00 886 G 8.21 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 0.00 887 S 8.31 4.21 0.00 4.00 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 0.00 888 L 7.69 4.22 0.00 1.78 1.74 0.93 0.95 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 0.00 889 K 7.70 4.35 0.00 1.87 1.87 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.48 1.54 7.81 890 I 7.27 3.97 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.66 0.92 0.00 0.00 891 I 7.97 4.74 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.81 0.96 0.00 0.00 892 T 8.88 3.81 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 *899 S 9.65 3.99 0.00 3.70 3.54 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 0.00 900 N 8.39 4.93 0.00 2.58 2.67 0.00 0.00 6.94 7.78 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 0.00 901 L 8.60 4.77 0.00 1.72 1.94 1.04 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 902 L 8.84 4.92 0.00 1.75 1.67 1.04 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 0.00 903 L 8.46 3.75 0.00 0.67 1.31 0.51 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 904 D 8.85 4.52 0.00 2.52 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.