NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 501 A 4.4266 8.2649 123.5869 52.1727 20.3144 176.5448 502 S 4.6666 7.2863 110.1086 59.2944 64.8017 174.4666 503 S 3.6041 8.6694 117.9747 59.5171 61.6813 170.7994 504 S 4.4488 8.3184 121.2193 57.7200 65.3405 173.3856 505 F 4.6115 7.1989 117.6184 56.0165 38.9600 174.6987 506 K 4.6817 8.3608 122.3614 54.4277 33.9783 177.0433 507 A 4.1477 9.2106 127.7231 54.5950 18.5358 179.5464 508 A 4.1590 7.9709 117.4898 54.2376 18.7938 177.7127 509 D 4.7077 7.6400 113.6787 53.9128 41.2136 176.1428 510 L 4.2536 7.4879 122.3603 54.7532 42.9338 176.1475 511 Q 4.5809 8.1654 130.0213 56.0102 29.0702 174.4015 512 L 4.9918 7.7906 120.9625 56.2480 45.0686 174.9353 513 E 4.5071 9.0104 126.2620 54.5996 31.6284 174.5679 514 M 4.4292 8.6398 126.8993 55.1472 33.3559 175.8282 515 T 4.0361 8.7097 118.6581 62.3920 68.3527 174.3351 516 Q 4.0920 8.7949 127.6585 58.2440 29.0908 176.5719 517 K 4.4658 7.7181 118.0506 53.5133 34.2071 174.3692 518 P 4.6505 0.0000 0.0000 62.7383 31.9581 175.9875 519 H 4.7526 9.4475 117.2511 55.1532 29.5242 175.4752 520 K 4.2777 8.4531 120.8522 55.8054 32.6711 177.4843 521 K 3.7334 8.2235 123.3532 55.3843 32.8626 175.4780 522 P 4.2309 0.0000 0.0000 65.4550 31.6460 177.8831 523 G 3.8936 8.0527 105.0796 45.2693 0.0000 172.0609 524 P 4.8202 0.0000 0.0000 59.9360 28.9557 177.0078 525 G 5.2180 6.8100 118.5822 46.0487 0.0000 169.9298 526 E 4.6534 7.5358 119.2815 53.1527 32.3165 174.1518 527 P 4.1042 0.0000 0.0000 63.1917 31.6385 175.6481 528 L 4.4821 8.3755 123.6322 52.9011 42.3110 176.1071 529 V 3.9928 7.9855 124.0966 61.0682 32.5892 174.8918 530 F 3.9360 8.8166 129.2281 59.5763 39.3853 174.6769 531 G 3.9297 8.4226 115.4352 46.4949 0.0000 173.9158 532 K 4.3991 7.4708 118.5373 55.7295 34.2727 176.4781 533 T 4.3083 7.0769 109.5035 59.4587 70.3767 173.4115 534 F 4.7067 7.9736 123.8538 55.1941 41.9208 175.1004 535 T 2.0000 7.3554 113.7865 60.0750 69.6377 174.7097 536 D 4.1398 7.6198 120.5275 56.7198 41.0031 176.0149 537 H 5.6557 8.2592 114.2041 54.1401 32.8752 172.9589 538 M 5.0447 8.8453 115.9991 53.9569 35.0981 173.6240 539 L 4.8661 8.5249 122.0529 54.2167 44.4299 174.9125 540 M 5.3117 8.0810 122.8170 54.4312 36.1275 173.3991 541 V 4.5491 9.4336 125.4013 61.3088 35.3250 173.6600 542 E 5.2817 8.9857 126.2826 54.5875 32.5194 174.5457 543 W 5.2743 9.1410 132.5005 55.8999 34.1200 174.0448 544 N 4.5648 7.5040 122.5116 51.6494 38.6476 174.8658 545 D 3.9493 8.2787 115.4740 57.3889 41.0878 177.4266 546 K 3.9721 7.5649 118.7089 56.9678 33.1959 175.4187 547 G 3.8069 6.5468 104.3471 43.9131 0.0000 172.6046 548 W 5.2067 9.0872 121.5615 56.7839 30.3071 176.9986 549 G 4.1774 9.1221 111.6654 45.2108 0.0000 173.0242 550 Q 4.5870 8.5081 118.1751 54.5796 29.7325 174.8909 551 P 4.5649 0.0000 0.0000 62.1837 32.6458 174.8448 552 R 4.3141 8.8806 118.9908 55.8997 28.3666 171.7079 553 I 3.2763 8.0802 123.4735 61.0950 33.8185 171.7788 554 Q 5.0837 8.1580 122.0978 53.0787 32.2087 173.2725 555 P 4.7909 0.0000 0.0000 62.0326 32.4020 176.3672 556 F 4.1068 8.8054 125.3364 58.7267 39.4889 174.4319 557 Q 4.4714 7.6471 122.7784 54.2194 31.7195 174.1576 558 N 4.3215 8.2061 115.6927 52.8993 39.3007 175.0923 559 L 4.0927 7.8309 120.5713 54.2101 42.7682 176.9131 560 T 4.3772 8.1648 119.0303 61.9707 69.0748 173.8099 561 L 4.7726 7.9868 126.0419 52.4389 44.8797 176.4408 562 H 4.2469 8.6199 122.3018 55.4587 30.4515 174.4051 563 P 4.1727 0.0000 0.0000 65.3159 31.2571 176.9186 564 A 4.2822 8.0363 118.3099 51.5009 18.7276 176.6944 565 S 4.2044 8.0896 112.8953 58.9696 62.7969 175.5616 566 S 4.3307 8.5937 123.2187 60.5764 62.8833 176.6168 567 S 4.2577 8.0859 115.3574 60.5474 63.1246 174.9089 568 L 4.4047 7.9919 119.4242 55.3923 42.4945 176.9812 569 H 4.3521 8.1303 114.1956 56.9891 29.6798 175.5431 570 Y 4.8572 7.3394 113.9127 57.1404 38.4654 175.5340 571 S 3.7415 8.2061 111.6351 59.4279 61.1896 173.7232 572 L 4.6558 7.6308 119.4955 53.2085 40.4734 176.1285 573 Q 5.2724 7.9557 119.0909 54.7327 32.5897 174.0426 574 L 5.1205 8.9171 120.9866 54.8948 44.5530 174.2411 575 F 5.3299 8.4085 114.1693 56.0385 41.6298 172.6899 576 E 4.6602 9.2611 117.6745 54.7500 34.3039 175.6292 577 G 4.0401 8.6330 107.8198 45.1077 0.0000 171.9520 578 M 5.0732 8.3764 122.3478 53.5905 35.6467 174.0190 579 K 4.9309 8.6519 117.6496 54.4922 36.1256 174.7531 580 A 4.8557 8.4297 125.0602 50.2298 21.5174 175.6738 581 F 4.9793 9.3980 120.8979 55.3579 42.6271 174.1932 582 K 4.9535 8.8984 123.8268 54.7604 33.9855 176.1687 583 G 4.1689 8.9496 115.2752 44.7542 0.0000 173.1878 584 K 4.7481 8.3978 117.6505 56.3353 32.0306 178.3897 585 D 4.5891 7.9168 113.3792 53.6865 41.1018 176.1745 586 Q 3.6627 8.2144 116.3355 56.6956 27.3709 173.3085 587 Q 4.2714 7.5899 118.6517 55.6707 30.0668 175.0459 588 V 4.9316 8.4191 123.8109 61.5598 33.8553 174.6287 589 R 5.2187 9.1496 125.5248 54.6248 34.9102 173.8504 590 L 5.2871 9.0997 121.8784 52.3905 44.4929 175.4158 591 F 4.7241 9.0697 125.5321 57.4564 40.2397 176.1988 592 R 3.6833 8.2756 128.9595 56.0745 28.0442 176.3067 593 P 4.0863 0.0000 0.0000 65.4574 31.2889 177.7072 594 W 4.0440 7.4172 118.6213 59.7129 28.9088 178.1179 595 L 4.0075 8.0548 119.0054 57.6386 40.9479 179.2517 596 N 4.3300 7.8752 116.2109 56.4401 38.3731 177.2563 597 M 4.1000 8.0136 119.4982 58.4371 32.0798 178.2588 598 D 4.4309 8.1275 118.7448 57.1531 41.0426 178.3661 599 R 4.0695 7.8839 118.3200 58.8610 30.3340 178.1180 600 M 4.2523 8.4890 119.3731 59.1549 31.8301 179.5218 601 L 3.8004 7.0618 118.0999 57.5580 42.0743 179.0890 602 R 3.9673 7.6897 120.1200 59.5070 29.7014 178.9553 603 S 4.0648 8.5685 113.8759 61.5623 63.2397 176.3454 604 A 4.0972 7.8153 123.0218 55.2138 17.9664 179.1299 605 M 3.9749 7.7151 115.5584 58.7146 32.3917 177.9041 606 R 3.8558 7.3297 117.8937 58.6327 30.3467 177.7428 607 L 4.3715 7.1940 117.2427 54.2649 40.5860 175.2419 *609 L 3.8907 7.8280 117.7120 54.4405 42.8587 175.2647 610 P 3.8249 0.0000 0.0000 62.8452 31.2741 176.4745 611 S 4.3732 8.2943 115.5519 58.2665 63.9504 172.7723 612 F 4.7557 7.3694 115.1865 54.5969 40.8370 173.4309 613 D 4.4921 8.1262 120.3867 53.0175 42.1634 176.6517 614 K 3.9776 8.5824 127.1627 60.3881 32.6065 178.9018 615 L 4.1348 8.0799 119.1227 56.8754 41.7099 179.1523 616 E 3.9812 8.0572 118.6511 59.0455 29.4291 178.7027 617 L 4.1262 7.7741 120.1823 57.9620 42.0903 178.6236 618 L 3.7887 7.8737 120.4363 58.1383 41.9481 178.6754 619 E 4.0319 8.1323 118.8312 59.4107 29.5944 178.5905 620 C 4.2205 8.0918 116.6093 62.7869 28.1891 176.1878 621 I 3.7114 8.1041 121.8146 64.1566 36.6950 178.2719 622 R 3.9613 8.2647 119.8678 59.6698 29.9304 178.5813 623 R 3.9256 8.1432 118.3516 59.2565 30.1787 178.2081 624 L 3.9735 7.9490 120.2709 58.2140 41.8533 179.0871 625 I 3.8088 7.7182 118.9950 64.1511 37.1897 177.6782 626 E 4.0835 8.2885 120.4250 59.1302 29.2225 179.0558 627 V 3.6496 7.8248 117.4903 65.4380 31.9724 177.2708 628 D 5.2409 8.0623 119.9874 54.7938 42.1726 179.5991 629 K 4.0856 7.8471 127.5303 60.1678 31.5225 180.4480 630 D 4.7036 8.1548 117.6370 56.2919 40.9238 177.2653 631 W 4.2899 8.1349 118.0634 57.8232 29.5220 176.6393 632 V 3.8420 7.7231 119.4678 61.4545 30.9245 174.0480 633 P 4.5341 0.0000 0.0000 62.9161 32.0867 176.0304 634 D 4.5222 8.6536 119.2752 56.5875 41.7333 177.4476 635 A 3.8818 8.5422 120.6109 53.1085 18.1174 178.8389 636 A 3.1456 6.5277 118.4603 49.5353 20.6219 177.8100 637 G 4.4392 7.8518 97.5588 45.4100 0.0000 172.5923 638 T 4.6316 8.0763 110.9732 61.4062 70.5144 173.3007 639 S 4.4951 8.4410 115.6383 57.9131 67.1166 172.7226 640 L 4.7909 8.3350 121.9728 53.3769 43.8951 174.4445 641 Y 4.5787 8.9911 128.6886 56.8543 40.5739 173.9018 642 V 4.2186 8.3726 127.1447 61.2537 33.9150 174.3381 643 R 4.6191 8.6040 128.3645 52.8981 31.3605 171.8312 644 P 4.8748 0.0000 0.0000 61.7259 33.2214 175.1692 645 V 4.8287 8.5226 122.6907 61.0983 35.6185 173.5790 646 L 5.2772 8.8045 128.2058 53.3095 45.0790 175.0939 647 I 5.1330 9.0499 119.7297 58.9028 41.1473 174.9594 648 G 4.1548 9.1380 111.6959 45.5995 0.0000 173.0349 649 N 5.3428 8.8774 121.9707 51.6475 39.1165 174.1144 650 E 4.1975 8.1597 119.9605 54.5338 31.0629 175.8659 651 P 4.5833 0.0000 0.0000 62.6005 31.2074 176.0803 652 S 4.7361 7.6629 110.6906 56.7956 66.0500 173.1693 653 L 4.5805 8.5410 120.2701 54.8046 41.5062 177.0874 654 G 3.8194 7.8256 108.2072 44.8091 0.0000 175.0573 655 V 3.4466 7.7868 123.5471 61.2687 29.9868 174.7274 656 S 4.5292 7.6742 119.1188 56.0618 66.0844 174.0031 657 Q 4.0386 8.4809 122.1760 55.1747 28.9826 173.9085 658 P 4.4676 0.0000 0.0000 63.1897 32.2628 176.3694 659 R 4.5207 9.4808 119.5894 56.3903 30.9076 175.7853 660 R 5.1961 7.6913 118.2540 54.8183 33.8266 173.3746 661 A 5.2145 9.5001 126.2680 50.7127 23.6927 174.6048 662 L 5.1651 9.1861 120.7582 53.4398 45.7290 174.7071 663 L 5.3133 9.5388 129.0130 53.2949 44.4257 174.9953 664 F 5.4911 8.9826 120.6149 55.2326 42.1262 173.5501 665 V 4.9607 8.8683 120.0121 61.1716 34.5408 174.3021 666 I 5.1474 8.7157 120.6043 59.1396 41.2117 174.2807 667 L 5.5219 8.5568 122.3148 53.2748 45.8539 175.2677 668 C 5.0172 9.0227 116.4377 55.3085 33.0519 171.4298 669 P 4.7011 0.0000 0.0000 62.7398 32.0615 175.9779 670 V 4.2071 8.6672 116.3340 59.3506 35.6135 176.0183 671 G 4.3908 8.3843 110.5018 44.9929 0.0000 172.8428 672 A 4.6879 8.3508 122.0895 51.4845 19.0055 177.4102 673 Y 3.8475 8.7714 123.3723 59.4834 39.5014 175.6456 674 F 5.0623 7.9791 118.5707 54.8134 41.0721 172.4741 675 P 4.3113 0.0000 0.0000 63.6057 31.6101 177.3252 676 G 3.8346 8.9189 111.2121 44.9912 0.0000 174.1838 677 G 3.8479 7.8020 106.1155 45.3990 0.0000 173.7112 678 S 4.4902 7.6920 114.3455 56.1471 63.3716 174.4711 679 V 2.1844 7.9276 119.6744 60.7076 31.8849 175.9573 680 T 4.5577 6.6299 113.2891 58.9796 71.3590 171.8350 681 P 5.0694 0.0000 0.0000 62.6692 33.1542 175.2989 682 V 4.8173 8.8155 113.1613 59.6329 35.2469 175.0363 683 S 5.2177 8.6962 117.6111 56.8462 65.2735 173.2521 684 L 5.2934 8.7907 121.2586 51.8759 45.6244 175.0949 685 L 4.5759 8.3460 123.9999 54.0952 43.7572 175.0210 686 A 4.9103 8.9579 128.9949 49.9052 19.3616 173.5909 687 D 4.8454 8.2098 119.6289 52.0486 42.9629 175.1286 688 P 4.4571 0.0000 0.0000 64.4931 31.5887 177.3533 689 A 3.9523 8.1612 122.0933 53.9064 18.4243 177.3148 690 F 5.0455 7.8000 113.8766 55.7926 40.9513 174.8087 691 I 4.9015 8.6372 126.3303 59.6017 39.4655 175.7817 692 R 3.4382 8.8242 125.1086 58.5774 30.1444 175.7538 693 A 4.6168 7.2698 116.9889 50.8564 22.2606 174.4235 694 W 4.8760 8.1831 127.6951 54.9777 34.0984 174.5702 695 V 3.7482 7.8447 123.4390 64.4378 31.0939 176.4773 696 G 4.1381 9.2833 115.6584 45.2067 0.0000 174.2162 697 G 4.1853 7.7706 113.1680 45.5155 0.0000 175.3810 698 V 4.6960 8.2886 123.7768 61.3025 32.4191 177.6768 699 G 3.6066 8.2300 109.6321 47.8764 0.0000 174.2822 700 N 4.7632 7.7482 115.5769 51.8273 37.6690 174.2186 701 Y 4.7303 7.4352 115.3285 56.4568 41.8066 176.3107 702 K 4.2609 8.0640 124.4280 54.9740 30.8862 175.2842 703 L 5.0661 7.6353 121.7986 52.5118 44.4347 178.0656 704 G 4.2302 8.8208 109.9500 48.4345 0.0000 176.1921 705 G 3.8431 8.3218 106.2469 47.7002 0.0000 174.7877 706 N 4.3144 8.0865 117.0276 55.1686 38.8758 176.1520 707 Y 4.4057 7.8731 118.1698 59.4772 38.7327 177.7851 708 G 3.8315 8.2322 106.6382 47.4939 0.0000 173.6042 709 P 4.5069 0.0000 0.0000 64.6545 31.5429 177.6272 710 T 4.4415 7.8480 109.5426 63.6428 69.0180 176.8786 711 V 3.5855 7.6231 121.6361 66.1466 31.5794 177.6125 712 L 3.9278 7.8548 119.5031 58.0975 41.9514 178.9266 713 V 3.0802 7.5294 117.8426 65.6514 31.1108 177.6525 714 Q 3.9129 8.2602 119.5525 59.2638 28.8757 178.2833 715 Q 4.0623 8.0473 119.1684 58.7008 28.5845 178.0721 716 E 4.0087 8.0962 120.0551 58.5973 29.6356 178.6234 717 A 3.9691 7.7853 121.3210 54.8338 18.4196 179.5740 718 L 3.9152 7.8287 117.5050 58.0319 41.5289 179.9928 719 K 4.1018 7.8949 117.0372 58.7857 31.9832 178.6292 720 R 4.4384 7.5507 116.3186 54.9675 30.7018 176.2139 721 G 3.8778 8.0912 106.2832 47.0713 0.0000 174.6383 722 C 4.7453 8.6533 112.0646 59.4602 31.2575 173.2365 723 E 3.9835 7.6531 121.9672 55.9454 29.4831 177.3667 724 Q 4.3868 8.5256 115.4239 56.8791 29.4486 172.8207 725 V 4.2201 7.9104 117.9660 61.0893 33.9703 174.0238 726 L 4.8450 8.2714 130.3166 53.3462 43.1423 176.0024 727 W 4.6586 9.1133 128.4338 56.2196 29.7692 175.6547 728 L 5.1644 8.6619 125.2723 53.8561 42.9440 175.8188 729 Y 4.6794 8.6852 123.2190 56.8800 42.4124 176.2184 730 G 3.5955 7.9178 112.1754 44.1090 0.0000 172.4776 731 P 4.2940 0.0000 0.0000 64.8423 31.3173 177.4606 732 D 4.4316 7.9235 115.3643 52.9823 40.7596 175.6420 733 H 4.0966 7.9646 117.1964 57.3087 26.6309 174.1998 734 Q 4.5998 8.5647 119.6107 55.7724 30.3959 177.3112 735 L 4.5252 8.9526 125.4127 55.1713 41.6967 175.7737 736 T 4.4516 8.9470 113.5011 62.8346 69.9314 174.4953 737 E 4.8645 8.1176 120.8107 53.8969 34.8009 174.5075 738 V 4.3294 9.1947 122.7609 61.9829 32.7807 178.3329 739 G 4.2015 9.8066 122.3917 46.9047 0.0000 173.1305 740 T 4.8240 9.2152 108.3826 61.4216 69.6774 173.7594 741 M 5.0976 8.1277 120.2636 54.4796 36.4543 175.0778 742 N 5.1111 9.0142 118.5750 52.6274 40.3302 173.8284 743 I 4.8353 8.0509 121.1853 59.4608 40.1709 174.6877 744 F 4.7021 8.9469 126.8872 55.4585 43.0164 174.0181 745 V 4.5054 8.4886 121.7788 61.1342 34.6811 173.3768 746 Y 5.4159 9.4222 129.9971 56.0793 40.6770 174.2857 747 W 5.4470 9.0576 123.1921 56.0608 32.5409 173.2022 748 T 4.7533 8.3485 117.3246 62.2527 68.7096 175.3105 749 H 3.7057 9.0888 127.1236 55.1151 30.6784 175.7695 750 E 3.6697 7.6951 121.7048 59.1026 29.1632 178.0419 751 D 4.4054 7.6684 115.5478 53.3754 39.8531 177.0247 752 G 3.8217 8.2901 108.5799 45.6332 0.0000 173.2742 753 V 4.3329 7.4891 119.3241 60.4655 33.2727 174.8036 754 L 4.7972 8.4224 127.1735 54.8205 42.6423 175.7759 755 E 5.2263 9.7730 121.4476 54.9858 34.0444 173.6597 756 L 5.4523 9.3524 123.3770 53.5018 44.3371 175.4259 757 V 5.3869 8.8378 125.9133 59.3574 34.8232 174.5588 758 T 4.5356 7.9403 115.7088 59.4751 70.9239 171.0661 759 P 4.8550 0.0000 0.0000 61.5568 32.0325 174.4646 760 P 4.3665 0.0000 0.0000 62.3244 32.6538 177.0957 761 L 4.2306 8.1363 121.7240 53.6481 39.8342 176.5048 762 N 4.6286 7.9135 114.8836 51.8382 38.3508 175.9886 763 G 3.7773 7.7899 108.3103 45.9956 0.0000 175.1156 764 V 3.7907 7.3452 117.1640 62.6608 31.7680 175.3288 765 I 4.4410 7.1011 120.5533 59.6720 38.8968 174.2349 766 L 4.3638 8.6822 128.0187 53.6602 42.2958 175.9606 767 P 4.4668 0.0000 0.0000 62.0256 29.4755 176.3485 768 G 3.7407 7.9819 113.5255 45.3360 0.0000 171.3574 769 V 3.5578 8.2262 122.3554 65.6831 31.6601 178.8391 770 V 3.6296 7.7293 117.6726 65.6983 31.5911 177.6281 771 R 4.1356 8.0422 118.1338 59.8092 29.9027 178.1427 772 Q 3.9852 8.0337 119.1195 59.2242 28.9324 178.2964 773 S 3.7357 7.8404 116.3230 61.3910 62.7665 176.6680 774 L 3.4490 8.0533 122.0358 57.3938 41.1607 179.5939 775 L 4.1443 7.9049 118.6740 57.8909 41.6436 179.2487 776 D 4.3947 8.3052 118.9266 57.5506 40.6679 178.5681 777 M 3.7365 8.3869 118.6419 58.5427 32.1154 178.2078 778 A 3.4467 7.9175 120.9097 54.8561 18.2956 179.4182 779 Q 3.9038 7.8077 117.5929 59.5396 29.2013 178.1338 780 T 4.0246 7.5267 116.0128 66.1610 68.4609 176.5225 781 W 4.5495 7.6520 120.7072 58.0964 29.2251 177.3125 782 G 3.9724 7.6110 105.1109 46.7066 0.0000 174.4001 783 E 4.3254 8.0671 120.5767 57.3389 30.3254 176.1406 784 F 5.1833 6.8907 111.2496 54.9949 41.5104 174.2069 785 R 4.2125 8.8829 120.8503 56.5199 31.0629 175.1694 786 V 5.1414 8.6343 126.3352 61.2672 33.5772 174.8437 787 V 4.6275 8.8763 126.7901 60.1171 35.4133 174.3819 788 E 4.8182 8.7733 121.8388 55.1542 30.2841 175.2031 789 R 4.7979 8.5725 124.6140 54.5435 34.1906 174.3156 790 T 4.0934 8.5910 115.0027 62.0257 69.8264 173.2926 791 I 4.7690 8.3727 124.5493 59.7619 40.5014 174.8907 792 T 5.0115 8.4014 115.6931 59.6159 71.7158 175.0194 793 M 3.9610 8.3457 121.6366 58.3596 31.8269 179.3706 794 K 4.0583 8.0072 118.3287 59.5732 32.3040 179.2547 795 Q 4.0663 8.0328 118.1536 58.7973 28.6619 178.4705 796 L 4.2798 8.2043 121.4392 58.2648 42.2742 179.0114 797 L 4.0556 8.4105 119.4421 57.8038 41.4089 179.5603 798 R 3.9193 8.0885 118.2634 59.3495 29.9914 178.4588 799 A 4.0071 8.2608 120.6578 54.9398 18.4594 179.7191 800 L 4.0169 8.2509 117.9923 57.9500 41.5934 179.4197 801 E 4.1603 7.9976 115.2272 58.4243 29.7733 177.8057 802 E 4.4449 7.8417 117.9499 55.2275 29.9651 176.1684 803 G 3.9728 7.5870 106.4357 46.7399 0.0000 175.0566 804 R 4.2566 8.2710 119.8870 56.9934 31.3935 176.6837 805 V 4.2878 7.8993 119.6957 63.0765 31.8483 174.8696 806 R 4.5647 9.0081 126.5208 57.5009 31.4142 176.3364 807 E 4.9607 8.0982 116.9536 54.7683 34.6079 174.0552 808 V 5.0262 9.1102 122.8968 61.2263 34.9022 174.2659 809 F 5.5403 9.1753 121.5667 55.8462 41.8122 173.3870 810 G 4.6811 9.4608 107.6444 44.9527 0.0000 172.7981 811 S 5.6769 9.3322 115.1416 54.8634 66.7035 174.6879 812 G 3.9498 9.4157 108.9733 48.0242 0.0000 174.4460 813 T 3.6099 7.4446 108.1915 64.1334 71.0883 175.3145 814 A 4.2170 7.5245 124.1267 54.8138 18.4034 177.3971 815 C 3.6948 7.6052 113.2707 55.6458 38.5833 172.1831 816 Q 3.7026 7.5665 119.9338 55.6981 26.9839 172.4598 817 V 4.9602 7.4420 110.3025 60.0257 35.7077 175.2576 818 C 5.2443 9.4785 123.6522 54.4487 44.1379 172.1200 819 P 5.0449 0.0000 0.0000 62.5615 32.5150 175.5639 820 V 5.0185 8.6018 122.9666 61.6490 33.0432 174.8416 821 H 5.1466 9.2717 122.5153 55.9481 30.9604 174.0430 822 R 5.0698 7.4703 118.3693 55.1647 33.8548 173.4523 823 I 4.9449 8.6302 125.1776 59.5201 41.1889 174.1718 824 L 4.8933 9.3506 130.5750 54.1147 43.0158 174.3818 825 Y 5.1482 8.5823 128.0312 56.1171 42.0044 175.6122 826 K 3.6417 9.2089 125.4025 57.7159 29.7118 175.5256 827 D 4.4959 8.3512 113.9809 54.7474 39.0362 174.1377 828 R 4.7030 7.6034 118.5440 54.1716 32.6940 174.6169 829 N 4.9503 8.6343 118.9625 52.9044 39.8424 174.5075 830 L 4.6790 8.6890 123.6825 53.2136 44.2718 175.5221 831 H 4.7904 8.9543 122.4183 55.3448 29.6149 175.0976 832 I 4.3129 8.5899 125.8499 58.9739 38.8380 175.5585 833 P 4.2574 0.0000 0.0000 63.8422 31.0511 175.7673 834 T 4.1045 7.6777 116.9768 64.3230 68.8340 172.7352 835 M 3.6132 9.1449 129.7485 56.0639 28.5778 178.3392 836 E 4.0840 7.6937 114.1183 58.3538 30.2741 176.9339 837 N 4.7559 8.3767 117.0249 53.0644 38.3310 174.8853 838 G 3.8834 6.7235 109.7165 45.2263 0.0000 173.8908 839 P 4.4889 0.0000 0.0000 61.0106 32.1164 176.4501 840 E 3.7988 8.7556 124.8403 59.8478 29.4763 178.5255 841 L 3.6025 8.3422 119.7462 57.9727 42.0334 179.0866 842 I 3.3579 7.7996 119.7230 64.3208 37.0353 178.4898 843 L 4.0141 7.9704 119.8546 57.5724 41.3691 179.6065 844 R 3.9046 7.7668 118.8929 59.2413 29.9300 178.5909 845 F 4.7384 8.4151 118.0208 60.6966 38.8533 177.4554 846 Q 3.9882 8.6044 119.6829 59.0465 28.8271 178.2357 847 K 3.9638 8.2083 120.6068 59.5520 32.3024 178.6375 848 E 4.0735 8.2835 118.7988 59.5862 29.4755 179.4335 849 L 4.0480 8.3075 119.1928 57.5434 41.6361 179.4915 850 K 4.0793 8.3745 119.8507 59.6830 32.0962 178.8210 851 E 4.0999 8.5250 119.0234 59.2536 29.4632 179.5242 852 I 4.0884 7.8551 121.2374 64.1029 37.1021 178.4675 853 Q 3.5939 8.1567 117.7002 58.7450 28.3441 177.0997 854 Y 4.3392 8.0981 113.6223 57.4729 37.9961 176.8100 855 G 4.0523 8.1073 107.1821 46.1678 0.0000 175.3894 856 I 3.8964 7.8815 121.7020 62.9281 37.2632 176.3140 857 R 4.5398 8.3955 120.7448 53.9379 32.3041 174.2798 858 A 4.3055 8.5738 128.2813 52.4713 19.4786 175.8864 859 H 4.6499 8.3197 119.4040 54.7497 32.7083 174.3055 860 E 4.3134 8.5327 123.1982 58.1896 29.8333 177.8924 861 W 4.7867 8.4190 119.8675 59.5060 30.3289 175.7298 862 M 5.0330 8.3294 119.8722 54.3288 32.9289 175.5897 863 F 5.1358 9.1593 126.3547 55.7106 41.5898 172.8477 864 P 4.7467 0.0000 0.0000 62.6709 32.4393 176.6981 865 V 3.8881 8.1438 114.5045 61.5047 31.3321 175.8156 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 501 A 8.26 4.43 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 0.00 502 S 7.29 4.67 0.00 4.11 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 0.00 503 S 8.67 3.60 0.00 4.14 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 504 S 8.32 4.45 0.00 3.64 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 0.00 505 F 7.20 4.61 0.00 3.08 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 506 K 8.36 4.68 0.00 1.81 1.83 0.00 1.73 0.00 0.00 1.84 0.00 0.00 2.90 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.41 1.39 7.81 507 A 9.21 4.15 1.40 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 0.00 0.00 508 A 7.97 4.16 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 0.00 509 D 7.64 4.71 0.00 2.92 2.75 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 0.00 510 L 7.49 4.25 0.00 1.64 1.81 0.92 0.72 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 0.00 511 Q 8.17 4.58 0.00 2.08 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.55 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 512 L 7.79 4.99 0.00 1.59 1.47 0.90 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 0.00 513 E 9.01 4.51 0.00 1.98 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 2.23 2.25 0.00 514 M 8.64 4.43 0.00 2.11 1.97 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.63 0.00 515 T 8.71 4.04 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 1.26 0.00 0.00 516 Q 8.79 4.09 0.00 2.11 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.65 0.00 0.00 0.00 0.00 0.00 2.38 2.34 0.00 517 K 7.72 4.47 0.00 1.72 1.75 0.00 1.79 0.00 0.00 1.78 0.00 0.00 3.05 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.35 1.36 7.81 518 P 0.00 4.65 0.00 2.29 2.15 0.00 3.80 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.04 0.00 519 H 9.45 4.75 0.00 3.54 3.46 0.00 5.84 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 520 K 8.45 4.28 0.00 1.80 1.76 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.45 1.49 7.81 521 K 8.22 3.73 0.00 1.50 1.37 0.00 0.80 0.00 0.00 0.61 0.00 0.00 2.42 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.96 1.01 7.81 522 P 0.00 4.23 0.00 2.02 2.10 0.00 3.54 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 2.10 2.16 0.00 523 G 8.05 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 0.00 0.00 0.00 524 P 0.00 4.82 0.00 2.03 2.02 0.00 3.78 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 1.99 2.04 0.00 525 G 6.81 5.22 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 0.00 526 E 7.54 4.65 0.00 1.98 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 2.21 2.21 0.00 527 P 0.00 4.10 0.00 2.02 2.01 0.00 3.63 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.11 0.00 528 L 8.38 4.48 0.00 1.54 1.53 0.96 0.93 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 0.00 529 V 7.99 3.99 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 0.97 0.00 0.00 0.91 0.00 0.00 530 F 8.82 3.94 0.00 2.96 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 0.00 531 G 8.42 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 0.00 532 K 7.47 4.40 0.00 1.68 1.81 0.00 1.67 0.00 0.00 1.77 0.00 0.00 3.02 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.33 7.81 533 T 7.08 4.31 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 1.15 0.00 0.00 534 F 7.97 4.71 0.00 2.17 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 0.00 0.00 0.00 0.00 535 T 7.36 2.00 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 0.73 0.00 0.00 536 D 7.62 4.14 0.00 2.98 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 537 H 8.26 5.66 0.00 3.10 3.27 0.00 5.81 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 538 M 8.85 5.04 0.00 2.05 2.16 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.52 0.00 539 L 8.52 4.87 0.00 1.78 1.52 0.84 0.73 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 0.00 540 M 8.08 5.31 0.00 2.04 1.77 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 2.56 2.53 0.00 541 V 9.43 4.55 1.73 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 0.43 0.00 0.00 0.06 0.00 0.00 542 E 8.99 5.28 0.00 2.01 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 2.35 2.31 0.00 543 W 9.14 5.27 0.00 1.96 2.45 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 0.00 544 N 7.50 4.56 0.00 2.65 2.62 0.00 0.00 6.87 7.75 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 0.00 545 D 8.28 3.95 0.00 2.48 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 546 K 7.56 3.97 0.00 1.62 1.72 0.00 1.74 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.34 7.81 547 G 6.55 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 548 W 9.09 5.21 0.00 3.43 3.36 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 0.00 549 G 9.12 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 550 Q 8.51 4.59 0.00 1.98 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.98 0.00 0.00 0.00 0.00 0.00 2.41 2.44 0.00 551 P 0.00 4.56 0.00 1.98 1.82 0.00 3.71 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.73 0.00 552 R 8.88 4.31 0.00 2.00 2.31 0.00 3.20 0.00 0.00 3.33 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.60 0.00 553 I 8.08 3.28 1.86 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 1.46 0.40 0.90 0.00 0.00 554 Q 8.16 5.08 0.00 2.10 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.82 6.91 0.00 0.00 0.00 0.00 0.00 2.17 2.23 0.00 555 P 0.00 4.79 0.00 1.96 2.03 0.00 3.68 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 556 F 8.81 4.11 0.00 3.15 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 557 Q 7.65 4.47 0.00 2.01 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.80 0.00 0.00 0.00 0.00 0.00 2.14 2.16 0.00 558 N 8.21 4.32 0.00 2.62 2.65 0.00 0.00 6.93 7.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 559 L 7.83 4.09 0.00 1.40 1.36 0.15 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 560 T 8.16 4.38 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 561 L 7.99 4.77 0.00 1.52 1.52 0.88 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 562 H 8.62 4.25 0.00 3.15 3.15 0.00 5.69 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 563 P 0.00 4.17 0.00 2.02 2.08 0.00 3.27 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.02 0.00 564 A 8.04 4.28 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 0.00 0.00 0.00 0.00 0.00 0.00 565 S 8.09 4.20 0.00 4.04 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 0.00 566 S 8.59 4.33 0.00 4.17 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 0.00 567 S 8.09 4.26 0.00 4.06 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 0.00 568 L 7.99 4.40 0.00 1.71 1.66 0.90 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 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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 0.00 586 Q 8.21 3.66 0.00 2.30 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.48 6.87 0.00 0.00 0.00 0.00 0.00 2.30 2.47 0.00 587 Q 7.59 4.27 0.00 2.24 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.80 0.00 0.00 0.00 0.00 0.00 2.40 2.47 0.00 588 V 8.42 4.93 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 1.03 0.00 0.00 0.97 0.00 0.00 589 R 9.15 5.22 0.00 1.83 1.86 0.00 3.23 0.00 0.00 3.22 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 590 L 9.10 5.29 0.00 1.67 1.55 0.98 0.90 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 0.00 591 F 9.07 4.72 0.00 3.20 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 592 R 8.28 3.68 0.00 1.40 1.70 0.00 2.21 0.00 0.00 2.25 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.50 0.00 593 P 0.00 4.09 0.00 1.68 1.96 0.00 2.55 0.00 0.00 3.31 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 0.00 0.00 0.00 2.41 2.55 0.00 620 C 8.09 4.22 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 0.00 621 I 8.10 3.71 1.95 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.03 0.86 0.00 0.00 622 R 8.26 3.96 0.00 2.27 2.22 0.00 2.98 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.77 0.00 623 R 8.14 3.93 0.00 2.10 2.07 0.00 3.33 0.00 0.00 3.11 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 624 L 7.95 3.97 0.00 1.92 1.83 0.92 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 625 I 7.72 3.81 2.01 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 1.39 0.78 0.92 0.00 0.00 626 E 8.29 4.08 0.00 2.18 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 0.00 2.32 2.32 0.00 627 V 7.82 3.65 2.22 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 1.61 1.69 0.00 661 A 9.50 5.21 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 0.00 662 L 9.19 5.17 0.00 1.80 1.60 1.01 0.75 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 0.00 663 L 9.54 5.31 0.00 1.89 1.38 0.29 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 664 F 8.98 5.49 0.00 3.07 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 0.00 665 V 8.87 4.96 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 0.99 0.00 0.00 0.83 0.00 0.00 666 I 8.72 5.15 2.21 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.01 1.08 0.00 0.00 667 L 8.56 5.52 0.00 1.49 1.51 0.90 0.70 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 0.00 668 C 9.02 5.02 0.00 2.61 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 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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 0.00 826 K 9.21 3.64 0.00 1.55 1.62 0.00 1.46 0.00 0.00 1.46 0.00 0.00 2.73 0.00 0.00 2.70 0.00 0.00 0.00 0.00 0.92 0.21 7.81 827 D 8.35 4.50 0.00 2.80 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 0.00 828 R 7.60 4.70 0.00 2.00 1.82 0.00 3.11 0.00 0.00 3.18 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00 829 N 8.63 4.95 0.00 2.63 2.64 0.00 0.00 6.80 7.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 830 L 8.69 4.68 0.00 1.69 1.61 0.98 0.93 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 0.00 831 H 8.95 4.79 0.00 3.04 3.32 0.00 5.88 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 832 I 8.59 4.31 2.08 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.14 0.97 0.00 0.00 833 P 0.00 4.26 0.00 2.23 2.11 0.00 3.66 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.16 0.00 834 T 7.68 4.10 4.45 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 1.29 0.00 0.00 835 M 9.14 3.61 0.00 2.20 2.41 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.37 0.00 836 E 7.69 4.08 0.00 2.20 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 0.00 2.46 2.30 0.00 837 N 8.38 4.76 0.00 2.92 2.90 0.00 0.00 7.20 7.58 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 0.00 838 G 6.72 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 839 P 0.00 4.49 0.00 2.33 2.23 0.00 3.67 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.94 0.00 840 E 8.76 3.80 0.00 2.07 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.30 0.00 841 L 8.34 3.60 0.00 1.13 1.46 0.47 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 842 I 7.80 3.36 1.79 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.48 -0.13 0.75 0.00 0.00 843 L 7.97 4.01 0.00 1.76 1.66 0.87 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 844 R 7.77 3.90 0.00 1.84 1.87 0.00 2.67 0.00 0.00 2.53 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.44 0.00 845 F 8.42 4.74 0.00 3.26 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 0.00 846 Q 8.60 3.99 0.00 2.28 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.81 0.00 0.00 0.00 0.00 0.00 2.44 2.46 0.00 847 K 8.21 3.96 0.00 2.02 1.82 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.65 1.50 7.81 848 E 8.28 4.07 0.00 2.60 2.23 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 2.54 2.93 0.00 849 L 8.31 4.05 0.00 1.72 1.52 0.85 0.85 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 0.00 850 K 8.37 4.08 0.00 2.11 2.01 0.00 1.85 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.49 1.65 7.81 851 E 8.53 4.10 0.00 2.25 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.52 0.00 852 I 7.86 4.09 2.12 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 2.02 1.20 0.00 0.00 853 Q 8.16 3.59 0.00 1.23 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 7.06 0.00 0.00 0.00 0.00 0.00 1.62 1.91 0.00 854 Y 8.10 4.34 0.00 3.24 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 855 G 8.11 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 856 I 7.88 3.90 2.03 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 1.39 0.89 0.94 0.00 0.00 857 R 8.40 4.54 0.00 1.82 1.79 0.00 3.14 0.00 0.00 3.24 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.56 0.00 858 A 8.57 4.31 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 859 H 8.32 4.65 0.00 3.14 3.16 0.00 5.68 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 860 E 8.53 4.31 0.00 2.12 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.32 0.00 861 W 8.42 4.79 0.00 3.32 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.33 5.03 0.00 2.08 2.17 0.00 0.00 0.00 0.00 0.00 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.90 2.86 0.00 863 F 9.16 5.14 0.00 2.52 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 0.00 864 P 0.00 4.75 0.00 1.96 1.95 0.00 3.56 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.90 0.00 865 V 8.14 3.89 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 0.66 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.