NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 524 T 4.3548 8.1329 112.9198 60.7216 71.4951 176.3375 525 L 3.7888 8.1315 120.2080 56.5639 41.6955 179.5246 526 P 4.4230 0.0000 0.0000 66.0394 32.4598 179.0261 527 Q 4.1464 7.5294 115.6560 57.7553 28.1388 179.9778 528 L 4.1107 7.5215 115.5622 57.0637 41.7247 177.2146 529 T 4.3580 7.1827 108.2255 58.8281 67.9349 172.2416 530 P 4.3748 0.0000 0.0000 62.8557 31.7882 177.5645 531 T 4.1948 7.9319 111.5263 61.3570 70.8514 175.7149 532 L 4.0542 8.3661 123.5502 58.1456 42.2477 179.5636 533 V 3.7313 7.8836 119.1877 64.5232 31.0622 178.4049 534 S 4.2108 8.1369 114.9047 60.9002 62.8305 176.3307 535 L 3.9983 7.6699 123.3524 58.0404 41.6505 178.7589 536 L 4.0395 7.4151 117.8371 57.8892 41.3030 178.9415 537 E 4.1567 8.1195 118.2929 59.6535 29.2393 179.7583 538 V 3.7506 7.3648 116.0285 65.6236 31.7560 177.2870 539 I 4.2733 7.6056 109.8424 60.2460 37.9818 175.5182 540 E 4.0178 7.4723 122.2397 55.6383 29.8083 174.7129 541 P 4.3799 0.0000 0.0000 63.3312 32.0447 176.6870 542 E 4.2116 8.5455 117.3653 55.4393 30.3640 177.3104 543 V 3.7566 8.2248 122.0206 61.3239 31.8204 176.3696 544 L 4.5677 8.2769 124.9694 53.8965 43.1067 175.1006 545 Y 4.7741 8.3264 116.3235 56.3045 40.3930 176.4148 546 A 4.1600 9.6869 126.2205 52.9758 19.0058 177.9573 547 G 3.8819 8.2805 102.9749 46.8547 0.0000 172.9634 548 Y 4.2655 8.5022 120.7107 55.8131 39.6356 173.7470 549 D 4.6589 7.9082 126.9671 53.3380 40.8636 176.4027 550 S 4.1743 8.6989 122.9828 61.2034 62.7197 175.6147 551 S 4.2348 8.1489 113.9316 60.7236 63.0694 174.8488 552 V 3.8519 6.9403 119.9234 61.3012 31.9153 173.9107 553 P 4.4297 0.0000 0.0000 62.5407 31.8187 176.3179 554 D 4.7848 8.7257 120.8934 54.2667 41.5320 176.0848 555 S 4.7462 8.2162 115.0221 56.4235 67.3002 175.6375 556 T 3.9110 8.4649 118.5200 66.6706 68.3404 176.5665 557 W 4.1818 8.4430 129.7990 60.8731 30.6796 177.7529 558 R 4.0644 8.2770 117.8674 59.1237 29.5131 178.6601 559 I 3.7293 7.7251 119.9563 64.6028 37.2119 177.7372 560 M 3.7732 8.3069 119.8123 59.1440 31.7814 179.0516 561 T 3.4169 7.4754 115.0777 66.9595 68.5806 176.9708 562 T 3.9262 7.7008 117.2058 66.4404 68.4498 176.8917 563 L 3.9592 8.2863 121.3424 57.2462 41.6747 179.2306 564 N 4.3180 7.9606 116.8244 56.5478 38.3101 177.3296 565 M 4.0641 7.7230 119.6306 58.2794 32.0958 178.5588 566 L 4.0949 8.1157 120.6467 57.9731 42.1583 178.9509 567 G 4.0393 8.3557 105.9124 48.1689 0.0000 175.7134 568 G 3.6751 8.0376 108.1808 47.5557 0.0000 175.9280 569 R 4.0914 7.9525 120.1104 58.6511 30.0556 178.9390 570 Q 4.0143 8.1982 119.8633 59.0869 29.1453 178.0787 571 V 3.8381 8.2033 119.5741 66.1756 31.6295 178.1240 572 I 3.8019 7.8434 119.0154 64.2355 36.9267 178.2687 573 A 4.0961 8.1004 121.5047 54.9123 18.1920 179.4649 574 A 4.1305 8.6051 119.8288 55.3682 18.4878 180.0114 575 V 3.5581 7.9372 116.6518 66.1536 31.4513 178.0554 576 K 3.9511 7.7756 117.5175 59.2076 32.2720 178.2025 577 W 4.2919 8.4280 128.3309 60.4749 30.7416 177.7152 578 A 2.7489 8.4546 120.9452 54.7289 17.4339 179.4427 579 K 3.9417 7.6748 115.5078 59.7005 32.3059 178.5106 580 A 4.3948 7.3668 116.8211 51.4720 18.8959 177.2602 581 I 3.6629 6.9783 120.6742 59.7568 37.3935 173.8935 582 P 4.2871 0.0000 0.0000 64.6326 31.2613 176.6094 583 G 4.0375 9.0516 111.7620 45.4085 0.0000 175.2419 584 F 4.0509 8.7014 124.8111 61.9387 39.6867 177.8415 585 R 3.9293 8.5030 119.7947 60.1506 28.9831 179.6917 586 N 4.5968 7.4287 113.5283 53.3425 37.7490 177.1787 587 L 4.2185 7.2751 116.9364 55.0911 42.5263 177.0185 588 H 4.2581 8.2837 119.5979 55.9983 31.6822 176.1532 589 L 3.8001 7.8997 127.9016 58.4829 42.0051 179.1750 590 D 4.3392 7.7456 118.1928 57.2652 40.7033 178.4757 591 D 4.1693 7.7706 118.9839 57.4234 40.9818 178.3203 592 Q 3.7737 7.7296 118.5082 59.3749 28.6338 179.3082 593 M 4.1035 7.9789 119.3896 58.6583 31.9348 178.9122 594 T 3.7685 7.8082 115.8223 66.5209 68.6491 176.7050 595 L 3.9447 8.2091 121.1884 57.7485 41.7477 179.6295 596 L 4.1854 8.0721 118.8425 58.0242 41.4046 179.3349 597 Q 4.2741 8.3711 117.1250 59.7116 28.8078 178.7133 598 Y 4.6655 8.5875 116.7308 59.9591 38.3980 177.1256 599 S 4.9743 8.2599 112.9834 57.6611 64.0367 175.8284 600 W 4.5424 8.4654 121.3674 60.5103 27.6696 177.9263 601 M 3.5553 6.8175 118.3750 57.6309 31.5084 177.6532 602 Y 3.9098 7.8889 116.7235 61.1020 38.1689 178.2819 603 L 4.0416 8.2151 119.8281 58.0688 41.7037 179.6625 604 M 4.1056 8.2059 118.4445 58.1955 31.9593 178.5235 605 A 3.9770 8.1790 121.1760 55.2382 18.5735 179.5520 606 F 4.1478 8.5423 118.9093 61.4062 39.4976 177.3483 607 A 4.2858 8.3783 120.5848 54.9081 18.1359 179.4530 608 L 3.8060 8.1131 119.0527 58.2055 42.1407 179.1225 609 G 3.6685 8.0596 105.8055 47.6881 0.0000 175.2425 610 W 4.0312 8.0328 130.7751 60.1480 30.4842 178.0110 611 R 3.6079 7.8381 117.2410 59.3247 29.6513 178.4734 612 S 4.0735 8.3330 115.3426 61.6284 62.4702 175.7231 613 Y 4.0773 7.9560 122.5212 60.8903 38.2536 178.2071 614 R 3.3098 7.2444 117.2744 57.0059 31.0634 176.4447 615 Q 4.0598 6.9573 118.8334 54.9196 29.2025 176.8907 616 S 3.5820 7.7815 118.2701 56.6878 61.2072 168.7033 *618 A 4.1753 8.0643 118.4926 53.8888 19.4708 177.6554 619 N 4.6949 8.3380 114.5437 52.8066 36.3900 173.7539 620 L 4.7514 7.4295 117.8546 52.4910 45.2197 176.6396 621 L 3.9397 8.5402 124.2481 54.7172 42.6381 176.1738 622 C 4.3955 8.3899 124.5484 58.1411 26.0615 173.8035 623 F 4.0311 8.5283 120.8910 59.9652 39.3419 175.3183 624 A 4.5803 7.8431 120.5532 50.1504 22.2141 175.2251 625 P 4.1988 0.0000 0.0000 65.0980 31.4185 177.4786 626 D 4.8402 7.9526 115.5673 52.8073 39.7626 176.7424 627 L 4.2997 7.9424 123.3238 54.8146 43.9941 173.0585 628 I 4.7341 8.0042 124.8784 59.3758 39.5520 176.2679 629 I 4.2716 8.6272 128.8445 59.9134 35.9952 175.4066 630 N 4.5964 8.3306 127.6661 52.2716 38.6645 177.1161 631 E 3.9507 8.8264 117.1985 61.4883 29.6940 176.3362 632 Q 4.2643 7.9969 119.7211 59.3191 29.3926 178.1935 633 R 3.9592 9.0165 119.3907 59.5532 29.8140 178.6440 634 M 4.1279 8.0890 117.5143 58.3659 32.2521 177.3801 635 T 4.3020 7.5757 107.2785 60.9742 70.0001 175.0353 636 L 4.1666 7.3138 122.7962 54.0870 42.3542 174.8076 637 P 4.4332 0.0000 0.0000 64.2429 31.6078 177.4768 638 G 4.0848 9.0226 110.7782 46.7040 0.0000 175.1599 639 M 4.0016 7.9306 119.2230 59.1003 32.0878 177.5806 640 Y 4.0143 7.9997 118.9771 60.6498 38.7932 176.9685 641 D 4.1791 7.5593 116.7680 57.1779 41.3094 177.8029 642 Q 4.1197 7.5746 117.0344 58.1838 29.4925 177.6770 643 C 4.1295 8.2031 118.1423 62.2968 28.0232 176.1484 644 K 3.5420 7.6506 121.0886 60.1863 31.7514 178.9662 645 H 4.1748 7.5912 117.2648 58.9620 28.7206 177.7396 646 M 4.1008 7.9138 120.0065 58.1887 31.8626 178.6491 647 L 3.9935 8.0298 119.5069 57.6174 41.6857 178.6967 648 Y 4.1423 7.9643 121.0189 60.1693 38.8481 178.4719 649 V 3.3993 7.4810 118.4362 65.9941 31.5687 177.8996 650 S 4.1378 7.7955 112.6455 61.3246 62.1904 176.3195 651 S 4.0684 8.0243 116.9780 61.2371 62.9146 176.2359 652 E 3.8404 7.8979 122.2150 59.0679 29.2119 179.3377 653 L 3.7742 7.4893 118.6028 57.7649 41.6092 179.0844 654 H 3.2534 7.5280 117.9928 58.9129 29.6210 176.8352 655 R 3.8085 8.2952 120.2441 59.7702 29.9716 177.8282 656 L 4.1298 7.7556 114.9597 54.3243 42.8799 176.5510 657 Q 3.4015 7.5573 117.0734 55.3905 26.7371 174.5119 658 V 3.9564 7.4660 115.8804 63.1216 32.7921 175.9953 659 S 4.9578 9.6021 121.7942 57.3169 65.7943 174.6971 660 Y 4.1063 8.9018 123.2899 61.3650 38.5485 178.5453 661 E 3.7995 8.2684 118.6459 59.2762 29.5256 178.9137 662 E 3.9422 7.8706 117.5864 59.5942 29.5616 178.7957 663 Y 4.0657 7.9875 119.4753 60.7024 38.5887 177.9711 664 L 3.4748 7.6588 119.9049 57.8615 41.5681 179.5246 665 C 4.0710 7.7692 115.9193 63.0444 28.2595 175.8537 666 M 3.7941 8.0526 120.5046 58.2950 31.4424 178.8228 667 K 3.5576 8.1182 119.9135 59.4880 32.0727 178.8490 668 T 3.9273 7.2504 114.9500 66.8800 68.5995 176.3112 669 L 4.1173 7.9728 120.5394 57.6611 41.3087 179.6477 670 L 3.9099 7.3697 118.2640 57.3792 41.5638 178.6938 671 L 4.2801 7.6145 120.7447 56.5429 42.0019 177.9063 672 L 5.0632 7.4419 117.7743 54.6338 43.3816 177.1926 673 S 4.6333 8.0085 114.3786 59.2451 64.7787 173.6116 674 S 5.1597 7.9238 115.7643 57.1304 66.5815 173.6272 675 V 4.5376 8.8696 116.3381 58.6180 36.3355 173.3440 676 P 4.9134 0.0000 0.0000 63.2783 31.9179 178.2332 677 K 3.9371 8.9951 129.8581 59.3919 31.4674 179.0669 678 D 4.3365 8.1667 118.0964 54.2361 40.1446 179.0616 679 G 4.0163 7.6104 103.1307 45.2669 0.0000 173.4016 680 L 4.1508 8.5198 120.1067 53.9732 42.2803 178.0710 681 K 4.0916 8.8511 120.2567 59.0245 32.4770 179.2015 682 S 4.7824 8.6980 116.0317 57.4351 63.0877 175.9288 683 Q 3.9931 8.0998 124.4362 59.5210 28.9308 176.7449 684 E 3.9193 8.1750 119.4457 59.4651 29.7639 178.5096 685 L 3.9890 7.9138 119.6982 57.8671 42.0618 178.4869 686 F 4.1203 8.3932 120.7795 61.4146 39.4064 176.7829 687 D 4.1995 8.5071 118.7464 57.4089 40.5951 178.7041 688 E 3.9254 8.1809 118.9536 59.4051 29.5617 179.5788 689 I 3.6091 7.7155 119.7284 64.2153 37.1172 178.2286 690 R 3.7806 7.7481 119.8358 59.8780 29.7567 178.2280 691 M 4.0216 7.9674 117.6409 58.7559 32.1699 178.1725 692 T 3.6667 7.7568 116.0711 66.8461 68.6336 175.9187 693 Y 4.2917 7.6599 117.3361 60.1356 37.8708 178.0746 694 I 3.9156 8.1606 121.6784 64.5060 37.3842 178.5415 695 K 4.0677 8.3694 119.4324 59.2769 31.9081 179.0889 696 E 3.9924 8.2659 119.8598 58.7108 29.5097 178.5061 697 L 4.0301 8.2088 120.7780 58.1282 42.1953 178.9296 698 G 3.7551 7.9459 105.5376 48.1311 0.0000 175.6311 699 K 3.9661 8.0323 120.2311 59.0710 32.1020 179.3603 700 A 4.0484 7.8523 120.6821 55.1165 18.2367 179.8059 701 I 3.7246 7.8248 118.5627 64.2802 36.9163 178.8472 702 V 3.5711 7.6551 120.9025 66.5002 31.4642 178.5114 703 K 4.1180 7.8298 122.2602 59.9550 31.5577 180.4787 704 R 4.2733 7.8510 121.3247 61.7554 30.6308 178.9518 705 E 4.1635 8.5126 120.6800 55.9130 30.8746 178.1421 *707 N 4.4274 8.6800 115.3421 54.8445 39.2552 171.3846 *709 S 4.7810 8.4987 119.3853 57.3032 65.0384 172.7134 710 Q 4.1684 8.0260 118.9268 58.8514 28.2883 178.2656 711 N 4.2405 8.1298 117.1907 56.3078 38.6137 177.3131 712 W 4.3125 8.0523 119.6629 59.7289 29.2589 178.4952 713 Q 4.1528 8.3316 118.2063 59.0262 28.0619 178.9994 714 R 4.0978 8.7295 120.0654 59.3782 30.1964 178.0860 715 F 3.9618 8.5969 120.8577 61.4872 39.3015 176.4503 716 Y 4.1976 8.6127 118.9868 61.0052 38.6821 178.1454 717 Q 4.0200 8.2813 118.9314 58.9214 28.8118 178.9214 718 L 3.8902 8.1511 120.5580 57.9504 41.7138 179.6871 719 T 3.1908 7.4325 109.4670 63.9578 68.4313 176.5914 720 K 3.7874 7.7956 122.9541 59.1959 31.9670 178.4636 721 L 4.0385 7.3193 120.7691 57.5338 42.3423 178.4504 722 L 4.0496 7.8232 118.8510 58.1273 41.4692 179.2645 723 D 4.5193 8.1212 118.8409 57.4239 40.6183 178.7593 724 S 4.3664 8.1743 113.6140 60.6108 63.1582 176.1648 725 M 4.2573 8.0263 122.9422 58.4148 31.5006 178.0710 726 H 4.3764 7.9804 117.0129 59.0672 28.8111 177.3573 727 E 3.8737 8.1421 120.5009 58.9634 29.6602 178.5836 728 V 3.4320 7.4769 118.0543 66.1167 31.5924 178.2042 729 V 3.1903 7.7983 118.1565 65.7177 31.2169 177.3309 730 E 3.7721 8.2210 119.3486 59.3717 29.3366 178.7346 731 N 4.1464 7.6567 116.2392 56.4053 38.6620 177.4476 732 L 3.9561 7.4677 119.8721 57.6136 41.5637 179.8136 733 L 3.2673 7.9078 119.3580 57.5712 41.5051 178.9380 734 N 4.2255 7.7632 116.3828 56.5731 38.3647 176.8660 735 Y 4.0085 7.9197 120.6819 60.7017 38.8778 177.3522 736 C 4.0830 8.0455 119.5571 62.6508 31.6201 175.6129 737 F 4.4702 8.3836 119.6541 60.5709 38.3772 177.4768 738 Q 3.9914 8.1780 119.2250 59.6125 28.6766 178.4951 739 T 3.8293 7.7645 115.8196 66.5314 68.4950 176.1154 740 F 4.1418 8.3342 121.8386 60.9974 39.5372 176.4527 741 L 4.4324 8.1263 115.8197 54.1610 41.6426 176.3091 742 D 4.5011 7.4612 120.6319 53.7696 41.3420 177.0192 743 K 3.8314 8.6520 127.1839 59.2879 32.4139 178.4127 744 T 4.1236 8.0890 107.5538 63.0506 69.1727 174.2084 745 M 4.5828 7.5258 124.8366 54.6330 34.1431 177.8143 746 S 4.6175 8.7641 124.7175 57.4106 61.4700 172.6707 747 I 4.0788 7.4994 122.7260 59.0887 36.3914 177.8282 748 E 4.4048 8.3934 122.8934 54.2969 30.3889 172.4433 749 F 4.9285 8.6548 122.5564 53.8276 41.8471 174.3771 750 P 4.5992 0.0000 0.0000 62.5489 33.2786 177.5137 751 E 3.9564 8.6529 118.5250 59.6940 29.5009 178.8956 752 M 3.9199 8.1435 117.8152 59.0842 32.0653 178.2619 753 L 3.6406 7.8240 117.9446 57.3147 41.8567 179.0956 754 A 3.9006 8.3246 123.5242 55.7857 18.2998 180.1246 755 E 3.8743 8.3571 116.9725 61.4484 29.7634 181.2101 756 I 3.8201 7.3738 120.6827 64.0030 37.0634 178.7900 757 I 3.6219 8.0707 121.2460 64.6845 36.7045 178.4042 758 T 3.6866 7.6693 115.3393 66.7711 68.3442 175.7706 759 N 4.4152 8.0824 117.8610 56.7472 39.3636 176.5707 760 Q 4.3035 7.8670 118.8601 58.2005 28.7140 178.0698 761 I 2.9488 7.3597 121.2704 64.1366 37.0754 176.5340 762 P 4.3502 0.0000 0.0000 65.1971 31.1064 178.8323 763 K 3.9222 7.9669 117.1604 59.5827 31.4437 178.9266 764 Y 4.0193 7.9019 119.6545 61.4323 37.5247 179.1034 765 S 4.1441 8.2012 121.1513 64.0113 62.6896 179.5065 766 N 4.7223 8.3632 122.3178 54.8531 37.6007 176.8082 767 G 3.9255 7.6028 108.4177 48.0123 0.0000 174.4489 768 N 4.7329 7.8523 116.6552 52.7811 39.0349 176.7952 769 I 4.6086 7.3544 119.7097 60.3582 39.1623 174.8344 770 K 4.3307 9.4274 129.9905 55.0184 33.6963 175.2705 771 K 4.6776 8.4756 127.5182 55.0358 32.9812 176.3892 772 L 4.1983 8.6750 126.9623 54.3814 42.0488 176.7774 773 L 4.7995 8.2877 124.0112 52.8331 43.8404 176.9724 774 F 4.1760 9.2034 122.0807 59.6759 39.1727 175.5999 775 H 4.9546 8.4543 117.2128 53.8801 31.4111 173.4663 776 Q 4.2100 8.8871 122.3396 56.2356 28.6512 175.8936 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 524 T 8.13 4.35 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 1.21 0.00 0.00 525 L 8.13 3.79 0.00 1.65 1.71 0.92 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 526 P 0.00 4.42 0.00 2.17 2.13 0.00 3.60 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 2.11 2.08 0.00 527 Q 7.53 4.15 0.00 1.99 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 7.01 0.00 0.00 0.00 0.00 0.00 2.31 2.20 0.00 528 L 7.52 4.11 0.00 1.85 1.77 0.93 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 529 T 7.18 4.36 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 1.21 0.00 0.00 530 P 0.00 4.37 0.00 2.21 2.11 0.00 3.76 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 531 T 7.93 4.19 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 1.22 0.00 0.00 532 L 8.37 4.05 0.00 1.75 2.04 0.97 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 533 V 7.88 3.73 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 0.80 0.00 0.00 0.90 0.00 0.00 534 S 8.14 4.21 0.00 4.13 4.19 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 0.00 535 L 7.67 4.00 0.00 1.79 1.92 0.94 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 536 L 7.42 4.04 0.00 1.77 1.71 0.91 0.92 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 0.00 537 E 8.12 4.16 0.00 2.31 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 2.46 2.46 0.00 538 V 7.36 3.75 2.25 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 0.90 0.00 0.00 1.06 0.00 0.00 539 I 7.61 4.27 1.98 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.04 0.99 0.00 0.00 540 E 7.47 4.02 0.00 2.20 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 2.58 2.44 0.00 541 P 0.00 4.38 0.00 2.05 2.01 0.00 3.50 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 2.12 0.00 542 E 8.55 4.21 0.00 1.99 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 1.87 0.00 543 V 8.22 3.76 2.03 0.00 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0.00 0.00 1.22 0.58 0.67 0.00 0.00 560 M 8.31 3.77 0.00 1.77 2.12 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 2.76 2.67 0.00 561 T 7.48 3.42 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 0.89 0.00 0.00 562 T 7.70 3.93 4.38 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 1.34 0.00 0.00 563 L 8.29 3.96 0.00 1.57 1.50 0.26 -0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 564 N 7.96 4.32 0.00 2.71 2.57 0.00 0.00 6.89 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 565 M 7.72 4.06 0.00 2.02 2.09 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 2.59 2.82 0.00 566 L 8.12 4.09 0.00 1.89 1.69 1.03 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 567 G 8.36 4.04 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 0.00 0.00 0.00 0.00 0.00 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0.00 635 T 7.58 4.30 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 1.18 0.00 0.00 636 L 7.31 4.17 0.00 1.87 1.67 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 0.00 637 P 0.00 4.43 0.00 2.08 2.04 0.00 3.78 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 2.07 2.12 0.00 638 G 9.02 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 0.00 639 M 7.93 4.00 0.00 2.44 2.15 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.77 0.00 640 Y 8.00 4.01 0.00 3.09 2.97 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 0.00 641 D 7.56 4.18 0.00 2.75 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 0.00 642 Q 7.57 4.12 0.00 1.78 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.66 0.00 0.00 0.00 0.00 0.00 1.92 1.16 0.00 643 C 8.20 4.13 0.00 2.93 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2.52 0.00 0.00 7.18 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 0.00 712 W 8.05 4.31 0.00 3.46 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 713 Q 8.33 4.15 0.00 2.46 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.82 0.00 0.00 0.00 0.00 0.00 2.38 2.24 0.00 714 R 8.73 4.10 0.00 1.95 2.14 0.00 3.13 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 715 F 8.60 3.96 0.00 3.16 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 0.00 716 Y 8.61 4.20 0.00 3.43 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 0.00 717 Q 8.28 4.02 0.00 2.36 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.60 0.00 0.00 0.00 0.00 0.00 2.49 2.69 0.00 718 L 8.15 3.89 0.00 1.41 1.53 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 719 T 7.43 3.19 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 720 K 7.80 3.79 0.00 1.72 1.83 0.00 1.23 0.00 0.00 0.65 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.30 1.40 7.81 721 L 7.32 4.04 0.00 1.66 1.87 0.94 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 722 L 7.82 4.05 0.00 1.77 1.70 0.50 0.64 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 0.00 723 D 8.12 4.52 0.00 3.03 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 724 S 8.17 4.37 0.00 4.18 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 0.00 725 M 8.03 4.26 0.00 2.23 2.42 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 3.03 0.00 726 H 7.98 4.38 0.00 3.30 3.43 0.00 5.62 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 727 E 8.14 3.87 0.00 2.01 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.31 0.00 728 V 7.48 3.43 2.19 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 0.89 0.00 0.00 0.99 0.00 0.00 729 V 7.80 3.19 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 0.27 0.00 0.00 -0.08 0.00 0.00 730 E 8.22 3.77 0.00 2.11 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.31 0.00 731 N 7.66 4.15 0.00 2.47 2.39 0.00 0.00 7.04 6.76 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 0.00 732 L 7.47 3.96 0.00 1.61 1.55 0.79 0.40 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 0.00 733 L 7.91 3.27 0.00 1.08 0.48 0.54 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 734 N 7.76 4.23 0.00 2.84 2.87 0.00 0.00 6.72 7.27 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 0.00 735 Y 7.92 4.01 0.00 3.19 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 736 C 8.05 4.08 0.00 3.18 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 0.00 737 F 8.38 4.47 0.00 3.00 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 0.00 738 Q 8.18 3.99 0.00 2.29 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.43 0.00 739 T 7.76 3.83 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 740 F 8.33 4.14 0.00 2.74 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 741 L 8.13 4.43 0.00 1.77 1.73 0.95 1.40 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 0.00 742 D 7.46 4.50 0.00 2.86 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 743 K 8.65 3.83 0.00 1.79 1.85 0.00 1.80 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.41 7.81 744 T 8.09 4.12 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 1.23 0.00 0.00 745 M 7.53 4.58 0.00 2.09 2.08 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.55 0.00 746 S 8.76 4.62 0.00 3.62 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 747 I 7.50 4.08 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.14 0.91 0.00 0.00 748 E 8.39 4.40 0.00 1.98 1.77 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 2.22 1.89 0.00 749 F 8.65 4.93 0.00 3.13 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 750 P 0.00 4.60 0.00 2.30 2.21 0.00 3.91 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.21 0.00 751 E 8.65 3.96 0.00 2.05 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 2.44 2.41 0.00 752 M 8.14 3.92 0.00 2.09 2.08 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.71 0.00 753 L 7.82 3.64 0.00 1.88 1.57 1.09 -0.11 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 0.00 754 A 8.32 3.90 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 755 E 8.36 3.87 0.00 1.97 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.23 0.00 756 I 7.37 3.82 1.59 0.00 0.00 0.62 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 1.04 0.55 0.00 0.00 757 I 8.07 3.62 1.19 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.68 -0.11 0.00 0.00 758 T 7.67 3.69 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 759 N 8.08 4.42 0.00 2.73 3.02 0.00 0.00 7.31 7.74 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 0.00 760 Q 7.87 4.30 0.00 2.33 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.47 0.00 0.00 0.00 0.00 0.00 2.69 2.95 0.00 761 I 7.36 2.95 1.64 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.74 0.72 0.00 0.00 762 P 0.00 4.35 0.00 2.14 2.07 0.00 3.68 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.12 0.00 763 K 7.97 3.92 0.00 1.85 1.68 0.00 1.77 0.00 0.00 1.78 0.00 0.00 2.98 0.00 0.00 3.29 0.00 0.00 0.00 0.00 1.46 1.50 7.81 764 Y 7.90 4.02 0.00 3.00 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 765 S 8.20 4.14 0.00 3.71 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 0.00 766 N 8.36 4.72 0.00 2.80 2.77 0.00 0.00 7.11 8.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 767 G 7.60 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 0.00 768 N 7.85 4.73 0.00 2.39 2.80 0.00 0.00 6.96 8.78 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 0.00 769 I 7.35 4.61 1.50 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 -0.02 0.47 0.56 0.00 0.00 770 K 9.43 4.33 0.00 1.77 1.78 0.00 1.60 0.00 0.00 1.63 0.00 0.00 2.82 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.38 7.81 771 K 8.48 4.68 0.00 1.53 1.29 0.00 1.73 0.00 0.00 1.57 0.00 0.00 3.06 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.33 1.39 7.81 772 L 8.68 4.20 0.00 1.49 1.51 1.18 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 773 L 8.29 4.80 0.00 1.62 1.75 0.94 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 774 F 9.20 4.18 0.00 2.87 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 0.00 775 H 8.45 4.95 0.00 3.22 3.23 0.00 5.65 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 776 Q 8.89 4.21 0.00 2.09 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.88 6.65 0.00 0.00 0.00 0.00 0.00 2.41 2.32 0.00 * Residues marked with a * may have inaccurate shift predictions.