NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 525 L 4.2712 8.0276 122.4919 54.7464 43.8551 178.0574 526 P 4.4673 0.0000 0.0000 62.8335 31.5696 176.7138 527 Q 4.0940 8.7299 119.2119 57.6462 29.4734 183.2511 528 L 4.0814 7.5865 115.7321 58.6789 41.6368 177.7728 529 T 3.9177 7.2697 117.4310 62.9664 67.7193 172.2780 530 P 4.4205 0.0000 0.0000 62.3663 31.9892 177.2887 531 T 4.3040 7.9439 112.1073 60.7890 71.4697 175.6371 532 L 3.9927 8.2504 121.6817 57.8687 41.9992 179.0564 533 V 3.6712 7.6777 119.2445 64.7552 31.5259 178.3781 534 S 4.3929 7.5972 113.9180 60.7014 62.8234 176.2237 535 L 4.0624 7.5430 123.5623 58.2178 41.7434 178.5213 536 L 3.9616 7.9621 118.9122 58.0902 41.3318 179.2053 537 E 3.9192 8.5287 118.4572 58.9555 29.6691 178.4663 538 V 4.2128 7.7040 109.4380 61.2826 32.1873 176.3893 539 I 4.3797 7.0741 110.0167 60.0872 38.2687 175.5619 540 E 4.0591 8.2199 122.8940 55.8125 29.8857 174.7132 541 P 4.4373 0.0000 0.0000 62.5374 32.0716 175.7537 542 E 4.2486 8.4173 121.0978 55.4304 30.4099 176.7628 543 V 3.6637 8.2160 123.0300 62.9530 32.1727 175.2759 544 L 4.9650 7.9714 124.8962 53.0287 44.7854 175.3463 545 Y 4.7178 8.3380 117.3975 55.9020 40.6744 176.3381 546 A 3.9717 9.1817 127.0553 53.2618 18.8989 176.5838 547 G 3.7681 8.6114 105.8889 44.7452 0.0000 171.2829 548 Y 4.2548 7.5193 115.0021 57.9303 40.7590 171.9691 549 D 4.3900 8.6226 127.7061 56.2422 42.9484 176.9869 *551 S 4.3229 7.5580 112.8145 58.1219 63.8103 174.1691 552 V 4.1252 8.1337 125.1825 64.5216 34.8884 171.7890 553 P 4.3515 0.0000 0.0000 62.8005 30.8967 178.9789 554 D 4.8667 8.4202 122.3064 52.5332 39.6467 176.1003 555 S 4.7939 8.0270 120.1772 57.2472 65.7016 176.7507 556 T 3.9219 8.5732 116.8023 66.1306 68.1193 176.9387 557 W 4.5111 8.3902 130.6730 60.7054 30.5816 177.9967 558 R 3.2250 8.0566 118.2888 58.9156 29.4161 178.4685 559 I 3.5333 7.3680 121.1623 63.9323 37.1270 178.2749 560 M 3.8601 8.0710 119.6746 58.5919 31.7767 178.8706 561 T 3.5609 7.7277 116.3486 66.6068 68.3890 176.5750 562 T 3.6329 8.0194 112.1380 64.9240 68.6454 176.1549 563 L 3.7233 7.7387 122.5635 57.1632 41.5517 179.2025 564 N 3.9655 8.2517 116.4731 56.7011 38.2694 177.3103 565 M 3.9902 8.1265 120.2023 58.2525 32.0235 178.7419 566 L 4.0484 8.5854 121.0214 58.0648 42.3443 179.1949 567 G 3.8767 8.7099 106.1722 47.5157 0.0000 175.9439 568 G 3.5727 7.9465 107.9294 48.0432 0.0000 176.0971 569 R 4.0102 7.7127 121.2522 58.7426 29.8273 179.1849 570 Q 4.0301 8.0073 117.3897 58.4777 29.0090 178.3355 571 V 3.7332 7.9252 119.3310 66.1762 30.9870 178.1665 572 I 3.7103 8.1489 119.5653 64.2594 36.9669 177.9461 573 A 4.0174 8.5625 121.6961 55.4436 18.2411 179.2363 574 A 4.0209 9.0013 119.9368 55.6452 18.3594 180.1630 575 V 3.5717 7.9975 118.4549 66.7646 31.4963 178.9207 576 K 3.9586 7.4934 121.0394 59.5865 31.7297 180.1483 577 W 4.4667 8.3599 129.3962 60.2974 30.5681 177.4955 578 A 2.8052 8.4486 120.7677 54.8642 17.5316 179.2619 579 K 4.0868 8.1113 114.6284 58.0631 32.2734 177.4761 580 A 4.5267 7.6104 119.4052 52.3804 20.0725 177.1965 581 I 3.4499 6.9748 120.0370 60.4163 37.2692 173.9957 582 P 4.4866 0.0000 0.0000 64.1715 31.4509 174.5906 583 G 4.2810 9.2285 111.4622 46.0717 0.0000 175.2845 584 F 4.0060 7.8056 120.5255 60.4910 39.3927 176.6173 585 R 4.1554 8.1473 119.3924 59.3071 30.2050 178.4184 586 N 4.0063 7.5575 112.6625 55.7862 38.6757 175.7419 587 L 4.2059 6.8880 117.0993 54.0535 42.5879 176.8258 588 H 4.2399 8.1064 119.0420 55.7871 31.7433 176.0354 589 L 3.8857 8.1682 127.6911 58.6307 42.0418 179.2585 590 D 4.3992 8.1500 118.1220 57.4294 40.2482 178.3418 591 D 4.2755 7.8730 119.0314 57.1295 40.7290 178.6477 592 Q 3.6616 8.2721 119.2382 58.9322 28.5901 178.5471 593 M 4.1332 8.0662 119.7016 58.6959 32.0197 178.7857 594 T 3.7262 7.6423 115.5283 66.7309 68.5838 176.6376 595 L 3.9376 7.4563 119.7749 57.6599 41.6333 179.6709 596 L 4.1985 7.9121 119.1009 58.1042 41.4759 179.6237 597 Q 4.4139 8.4359 116.5528 58.7619 28.6485 177.8041 598 Y 4.6414 8.3553 117.5247 59.6271 38.1994 176.8707 599 S 4.7097 8.5611 113.6302 58.0816 63.9619 175.9077 600 W 4.5616 8.5038 121.6394 60.5462 27.6248 177.9277 601 M 3.5484 6.7161 118.0586 57.7776 31.3154 177.7260 602 Y 3.9291 8.2964 117.6532 60.9746 37.9759 178.1699 603 L 4.0270 8.0216 119.4459 58.0048 41.6529 179.4619 604 M 4.0448 7.9193 118.4604 58.1851 32.0277 178.3273 605 A 3.9211 7.9534 120.8970 55.2682 18.5060 179.2601 606 F 4.1447 8.6074 118.7442 61.4745 39.4301 176.9280 607 A 4.7131 8.3763 121.8184 54.6665 18.1875 178.9381 608 L 3.7941 8.1548 119.1177 58.4119 41.9131 179.3631 609 G 3.4832 7.9048 105.0952 47.6864 0.0000 175.1737 610 W 3.9956 8.2722 131.9283 59.9559 30.5493 178.3184 611 R 3.4813 8.1670 117.9520 59.2720 29.5607 179.0254 612 S 3.9540 8.1452 115.3412 61.6314 62.7488 176.0205 613 Y 4.1727 8.5318 125.0027 61.4804 38.2130 179.3544 614 R 3.1891 6.9892 122.0787 61.7766 29.5917 180.9303 615 Q 4.3400 7.9026 120.7721 58.1724 28.4138 178.4875 616 S 4.5694 7.6407 115.9368 56.1750 63.6581 172.5074 617 S 4.4879 8.7968 125.4859 58.9751 61.0121 174.1131 618 A 3.7551 8.9172 121.8394 51.9769 16.9536 178.3417 619 N 4.7357 7.5515 115.4755 54.8403 40.5197 174.8754 620 L 4.6918 7.1265 115.6425 52.7928 45.4094 176.7431 621 L 4.1789 8.3096 122.4237 54.0615 42.5716 174.2289 622 C 4.9232 8.3808 124.5725 58.3449 26.4280 173.8704 623 F 4.0169 8.6756 121.1370 59.7902 39.2190 175.4476 624 A 4.5542 7.9295 120.6376 50.0177 22.3249 175.0071 625 P 4.2060 0.0000 0.0000 65.7586 31.3474 177.3940 626 D 4.8797 8.0879 114.6844 52.9836 39.7388 176.7958 627 L 4.4903 8.0925 123.4160 54.8076 44.1682 172.3519 628 I 4.6604 8.1986 123.6727 59.3092 39.2476 174.9336 629 I 4.2861 8.5561 129.8196 59.4803 38.3261 175.9592 630 N 4.8226 8.7868 125.9252 53.0422 39.2913 173.9913 631 E 4.0400 8.5669 121.3180 58.2177 30.5702 180.3286 632 Q 4.8332 7.3541 118.4768 55.9919 33.0751 175.4761 *638 G 4.2318 8.4582 109.2673 47.7141 0.0000 174.5893 639 M 4.3726 8.7230 123.5720 52.3449 31.7976 177.2570 *640 Y 4.0723 7.8370 122.2395 62.9441 36.7584 179.4680 641 D 4.7017 8.2490 121.1300 57.7105 39.4209 179.7640 642 Q 3.8145 7.7019 121.2458 59.8254 28.1722 179.4424 643 C 4.1948 10.6490 120.2165 62.7414 31.6535 175.1655 644 K 3.8550 8.7360 121.1565 60.1096 31.1523 178.0325 645 H 4.1194 8.6775 115.9307 59.3342 28.7235 177.9438 646 M 4.0611 8.6502 120.6535 58.4194 31.8822 178.8531 647 L 3.9832 8.2752 119.1622 57.3308 41.5798 178.9401 648 Y 4.0402 7.9707 120.0640 60.6106 38.8029 177.6681 649 V 3.1187 7.3017 118.4523 66.2651 31.2853 177.9173 650 S 4.0605 7.6199 112.7345 61.4043 62.1017 176.2661 651 S 4.0853 7.8865 116.8212 61.2063 62.8238 176.3144 652 E 3.6513 8.0264 122.4662 59.0655 29.0855 179.2623 653 L 3.6504 7.5586 119.1003 57.7808 41.3646 179.0170 654 H 3.5762 7.3616 117.1047 58.8425 29.8416 177.0955 655 R 3.8822 8.1435 120.0743 59.5344 30.1349 178.4082 656 L 3.9925 7.7588 116.6989 55.1431 42.6008 176.7462 657 Q 3.5186 7.6087 116.0029 56.0090 26.1759 174.3573 658 V 3.9820 7.2729 116.7955 62.9077 32.8554 175.6125 659 S 4.8443 9.1176 121.7934 57.5575 64.6342 174.6327 660 Y 4.2488 8.8750 120.2529 60.8168 38.4817 177.2414 661 E 3.7916 8.2897 119.0381 59.4390 29.6434 178.4948 662 E 3.9588 7.9095 118.7539 60.1032 29.6234 179.0220 663 Y 4.2330 8.2578 118.9283 60.6911 38.7376 178.3237 664 L 3.4646 7.8139 119.8084 57.7988 41.7243 179.0158 665 C 4.0631 7.9249 116.4508 63.4202 28.0255 176.1799 666 M 3.8675 8.1455 120.1311 58.3556 31.2561 178.8418 667 K 3.6210 7.6502 118.9961 59.4225 32.5323 178.8057 668 T 4.1989 7.9196 116.2027 66.5707 68.2890 176.5548 669 L 3.9766 7.9823 120.9666 57.8781 41.6292 179.6397 670 L 3.8618 7.4922 118.9356 57.4676 41.2409 179.0262 671 L 4.1697 7.5317 120.6618 56.6923 41.9507 178.0187 672 L 4.9800 7.4843 117.5061 54.6532 43.3202 177.7955 673 S 4.3959 7.8780 115.8615 60.3642 63.6672 173.7515 674 S 5.1867 7.6555 115.0230 57.2254 66.9373 173.6157 675 V 4.4384 8.5735 114.8055 58.7421 36.4061 173.3251 676 P 4.9695 0.0000 0.0000 62.4955 31.8865 177.9364 677 K 3.9373 8.7619 124.8297 59.4701 32.2454 177.7520 678 D 4.4088 7.9885 115.6884 53.7197 39.7051 177.2467 679 G 4.0025 7.8894 104.7141 45.7557 0.0000 173.4603 680 L 4.1886 8.5006 119.9442 53.7119 42.5518 178.1030 681 K 3.9902 8.8415 120.4273 59.9123 32.6937 179.7569 682 S 4.5807 9.2453 116.7097 58.4061 61.1702 175.3556 683 Q 4.0177 8.0043 127.9797 59.5181 29.0141 176.9404 684 E 3.9631 8.1881 118.5326 61.3697 29.7774 181.3884 685 L 4.1345 7.8986 120.4225 57.9531 42.2606 178.1900 686 F 4.0087 8.5386 121.1725 61.9781 39.2921 177.1788 687 D 4.2085 8.4213 117.9024 56.8339 40.6547 178.4538 688 E 3.9083 7.9812 122.1995 60.0098 29.7090 179.6557 689 I 3.7178 7.6669 120.0723 65.0499 35.5550 179.9258 690 R 4.0206 7.8640 121.0142 59.4335 29.6897 178.3672 691 M 4.1020 7.9642 117.9019 58.5983 32.0190 178.4115 692 T 3.7845 7.6061 115.7752 66.7872 68.5108 176.1095 693 Y 4.1108 8.0291 117.8090 60.0897 37.7544 178.3822 694 I 3.9246 7.8570 123.6732 65.0688 37.3544 178.8965 695 K 3.9398 7.8219 124.6250 59.8028 31.3660 180.5193 696 E 4.0861 7.9607 119.5205 59.4057 29.5549 178.7231 697 L 4.3287 7.9299 120.3867 57.8035 42.0253 179.1837 698 G 3.6895 8.4334 106.2292 47.9424 0.0000 175.8506 699 K 4.0180 8.6279 121.9671 58.6997 32.1182 179.2424 700 A 4.0280 8.5788 121.4676 55.3721 18.1930 179.7268 701 I 3.8587 7.6382 117.9904 64.5546 36.9437 178.9366 702 V 3.7051 7.7893 120.5109 66.5859 31.5254 178.7591 703 K 4.1839 8.7049 122.9238 59.1540 31.5207 180.6731 704 R 4.3371 7.6099 116.7015 60.4920 30.1403 175.3026 705 E 4.6968 8.3828 119.7209 53.6198 37.4300 175.2570 706 G 4.0159 8.1405 108.0283 45.7832 0.0000 174.1954 707 N 4.4194 7.9250 117.9672 55.1622 40.5050 175.7760 708 S 4.2820 7.4971 118.2951 57.2104 66.9603 178.3709 709 S 4.3926 9.0853 119.8878 63.1760 61.7339 174.3083 710 Q 4.2956 8.5374 122.5408 61.4015 27.5758 184.6188 711 N 4.5824 8.2914 118.0561 55.9553 38.5864 176.9558 712 W 4.1852 8.4363 129.2166 60.9390 30.7375 177.5215 713 Q 4.2379 8.8340 119.3872 59.2708 28.3718 178.3195 714 R 3.9481 8.1789 119.8797 59.2357 30.1310 178.1732 715 F 3.8691 8.5402 120.8523 61.3229 39.3698 176.1496 716 Y 3.8464 8.0388 119.2545 61.1358 38.6118 178.4876 717 Q 4.0549 8.3374 118.6173 58.6511 28.7881 178.7904 718 L 3.8564 8.0592 120.7210 58.0044 41.7160 179.6681 719 T 3.1265 7.3825 109.5742 63.8783 68.5406 176.6262 720 K 3.6668 7.6762 122.7751 59.1781 32.3034 178.3291 721 L 4.2239 7.5036 121.6658 57.6399 41.7386 178.8275 722 L 3.9029 7.4791 117.5335 57.9232 41.8308 178.9869 723 D 4.7025 8.0610 118.9301 57.5378 40.8129 178.9282 724 S 4.2304 8.2496 114.6150 61.7339 62.6301 176.1733 725 M 3.9767 7.9817 121.8675 58.8625 31.6423 178.0398 726 H 4.3583 8.2844 117.2587 58.4967 28.9836 177.3752 727 E 3.9845 8.2441 120.0930 59.1339 29.5160 178.9335 728 V 3.6948 7.7890 118.5269 65.9719 31.5497 178.2944 729 V 3.2628 7.7449 118.3282 65.4197 31.1426 177.5415 730 E 3.9217 7.7217 118.9316 59.4906 29.6399 178.7144 731 N 4.2938 7.6131 114.8047 56.1243 38.5981 177.3628 732 L 4.0091 7.5756 120.3599 57.3411 41.7771 179.3163 733 L 3.4361 8.3459 120.2675 57.2273 41.3011 179.3262 734 N 4.1509 7.8087 116.5014 56.4032 38.5408 176.4475 735 Y 3.9495 7.3732 120.1324 61.1495 38.7794 177.9680 736 C 4.3090 7.9267 118.7138 62.6080 31.4710 175.6734 737 F 4.5918 7.6826 119.2687 60.8475 38.5866 177.5651 738 Q 4.0014 8.9507 118.7181 59.5056 28.4692 179.4046 739 T 3.9160 8.3424 117.0287 66.4131 68.2660 176.7185 740 F 3.8091 8.1180 121.6162 61.3341 39.5215 176.9683 741 L 4.0214 8.8376 118.5302 57.6170 41.7326 177.9998 742 D 4.3467 8.2531 120.5914 57.4077 41.4035 177.9107 743 K 4.5258 7.4838 120.1100 54.1706 31.8187 180.2622 *745 M 4.4017 8.0230 124.8212 53.4743 34.1729 174.8358 746 S 4.4206 8.0562 113.0344 59.4671 64.1311 174.2097 747 I 4.7508 8.2474 125.3538 60.5649 40.7742 174.1020 748 E 4.5155 8.3319 123.1154 55.4252 30.3374 174.2041 749 F 4.8252 8.6279 121.8966 53.5460 42.9408 173.6792 750 P 4.7037 0.0000 0.0000 62.0234 33.7884 177.0216 751 E 3.9316 8.6728 117.3838 59.8668 29.2658 178.9404 752 M 3.8902 8.1184 117.3402 59.0200 32.0659 178.3918 753 L 3.5802 7.8296 117.8394 57.5284 41.9579 178.6837 754 A 3.8921 7.8610 120.6366 55.6898 18.2653 179.0970 755 E 3.8564 8.1191 116.4033 59.7665 29.5613 179.4800 756 I 3.5774 7.4404 119.0571 64.8623 37.2469 178.2623 757 I 3.7079 8.1779 120.9457 64.8491 36.6587 178.4394 758 T 3.8089 8.0408 116.3328 66.8761 68.4149 175.8190 759 N 4.4813 8.6039 118.2035 56.0775 39.2320 176.4172 760 Q 4.3435 8.0370 119.1749 57.7903 29.1597 177.7815 761 I 3.2731 7.4701 121.2086 64.2135 37.1320 176.5557 762 P 4.3927 0.0000 0.0000 64.7914 30.8382 178.7864 763 K 3.9113 7.8179 118.5128 59.5766 32.2249 177.9917 764 Y 4.0544 8.6196 120.1602 61.0053 38.5332 178.3781 765 S 4.0939 8.5686 117.4389 61.5575 62.9805 176.1406 766 N 4.7114 7.8526 119.4858 53.8329 37.5936 179.7055 767 G 3.9472 7.7228 109.9390 47.1857 0.0000 175.3840 768 N 4.5991 7.7190 117.1639 54.3463 38.2453 178.6103 769 I 4.5794 7.1904 118.2938 60.9054 38.9806 175.4433 770 K 4.4333 8.8708 127.2344 54.4596 34.6327 175.2092 771 K 4.3968 8.6256 128.1984 55.6612 32.5369 177.0575 772 L 4.2402 8.4176 126.5668 54.5306 42.0425 176.9746 773 L 5.1033 8.2793 122.3453 52.9137 45.2897 176.7057 774 F 4.2094 9.7483 119.8262 59.7116 39.4535 176.2179 775 H 4.9208 8.0402 116.4206 54.0028 28.6878 173.5354 776 Q 4.2057 8.0533 120.9064 56.0222 28.6788 176.2824 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 525 L 8.03 4.27 0.00 1.74 1.73 0.92 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 526 P 0.00 4.47 0.00 2.42 2.26 0.00 3.49 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.14 0.00 527 Q 8.73 4.09 0.00 2.10 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.75 7.03 0.00 0.00 0.00 0.00 0.00 2.28 1.95 0.00 528 L 7.59 4.08 0.00 1.73 1.78 0.93 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 529 T 7.27 3.92 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 530 P 0.00 4.42 0.00 2.18 2.05 0.00 3.75 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 531 T 7.94 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 1.21 0.00 0.00 532 L 8.25 3.99 0.00 1.71 1.76 0.82 0.17 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 0.00 533 V 7.68 3.67 2.27 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 0.86 0.00 0.00 0.91 0.00 0.00 534 S 7.60 4.39 0.00 4.04 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 535 L 7.54 4.06 0.00 1.93 1.88 0.92 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 536 L 7.96 3.96 0.00 1.93 1.70 0.99 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 537 E 8.53 3.92 0.00 2.05 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 2.45 2.46 0.00 538 V 7.70 4.21 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 0.92 0.00 0.00 1.06 0.00 0.00 539 I 7.07 4.38 1.91 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 1.40 0.81 0.97 0.00 0.00 540 E 8.22 4.06 0.00 1.99 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.45 0.00 541 P 0.00 4.44 0.00 2.04 1.99 0.00 3.51 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 2.08 0.00 542 E 8.42 4.25 0.00 1.96 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 2.36 2.44 0.00 543 V 8.22 3.66 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 0.25 0.00 0.00 0.87 0.00 0.00 544 L 7.97 4.96 0.00 1.59 1.55 0.94 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 0.00 545 Y 8.34 4.72 0.00 2.91 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 0.00 546 A 9.18 3.97 1.28 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.59 0.00 0.00 0.00 0.00 0.00 2.59 2.78 0.00 718 L 8.06 3.86 0.00 1.44 1.47 0.89 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 719 T 7.38 3.13 3.25 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 -0.57 0.00 0.00 720 K 7.68 3.67 0.00 1.64 1.65 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.77 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.26 1.28 7.81 721 L 7.50 4.22 0.00 1.86 1.83 0.82 0.43 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 0.00 722 L 7.48 3.90 0.00 1.61 1.67 0.64 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 723 D 8.06 4.70 0.00 2.96 2.81 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 0.00 724 S 8.25 4.23 0.00 4.29 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 0.00 725 M 7.98 3.98 0.00 2.18 2.49 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 3.03 0.00 726 H 8.28 4.36 0.00 3.43 3.47 0.00 5.63 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 727 E 8.24 3.98 0.00 2.11 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 0.00 2.38 2.44 0.00 728 V 7.79 3.69 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 0.92 0.00 0.00 1.15 0.00 0.00 729 V 7.74 3.26 1.15 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 0.36 0.00 0.00 -0.06 0.00 0.00 730 E 7.72 3.92 0.00 2.17 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 731 N 7.61 4.29 0.00 2.72 2.64 0.00 0.00 7.14 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 732 L 7.58 4.01 0.00 1.61 1.51 0.79 0.45 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 0.00 733 L 8.35 3.44 0.00 1.33 0.93 0.78 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 734 N 7.81 4.15 0.00 2.69 2.87 0.00 0.00 6.56 7.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 735 Y 7.37 3.95 0.00 3.18 3.04 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 0.00 736 C 7.93 4.31 0.00 3.17 2.83 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 0.00 737 F 7.68 4.59 0.00 3.25 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 0.00 738 Q 8.95 4.00 0.00 1.99 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.81 0.00 0.00 0.00 0.00 0.00 2.59 2.53 0.00 739 T 8.34 3.92 4.61 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 1.44 0.00 0.00 740 F 8.12 3.81 0.00 2.91 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 0.00 741 L 8.84 4.02 0.00 1.73 1.70 1.07 1.12 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 0.00 742 D 8.25 4.35 0.00 2.70 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 0.00 743 K 7.48 4.53 0.00 1.81 1.61 0.00 1.86 0.00 0.00 1.48 0.00 0.00 2.89 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.39 1.21 7.81 *745 M 8.02 4.40 0.00 2.07 1.94 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.54 0.00 746 S 8.06 4.42 0.00 3.90 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 747 I 8.25 4.75 2.09 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.47 1.24 0.00 0.00 748 E 8.33 4.52 0.00 2.08 1.72 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 2.25 2.15 0.00 749 F 8.63 4.83 0.00 3.05 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 4.70 0.00 2.28 2.18 0.00 3.89 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 2.09 2.18 0.00 751 E 8.67 3.93 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 8.12 3.89 0.00 2.08 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 2.59 2.70 0.00 753 L 7.83 3.58 0.00 1.86 1.71 1.09 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 754 A 7.86 3.89 1.58 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 0.00 0.00 755 E 8.12 3.86 0.00 1.98 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 2.33 2.36 0.00 756 I 7.44 3.58 1.45 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.51 0.33 0.00 0.00 757 I 8.18 3.71 1.28 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 1.69 0.53 0.23 0.00 0.00 758 T 8.04 3.81 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 1.24 0.00 0.00 759 N 8.60 4.48 0.00 2.72 3.00 0.00 0.00 7.22 7.18 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 0.00 760 Q 8.04 4.34 0.00 2.37 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.48 0.00 0.00 0.00 0.00 0.00 2.65 3.03 0.00 761 I 7.47 3.27 1.67 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.34 -0.07 0.77 0.00 0.00 762 P 0.00 4.39 0.00 2.15 2.08 0.00 3.60 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 2.10 2.11 0.00 763 K 7.82 3.91 0.00 1.98 1.81 0.00 1.85 0.00 0.00 2.04 0.00 0.00 3.05 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.63 1.56 7.81 764 Y 8.62 4.05 0.00 3.14 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 765 S 8.57 4.09 0.00 3.91 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 0.00 766 N 7.85 4.71 0.00 2.81 2.71 0.00 0.00 7.11 8.55 0.00 0.00 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 7.72 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 0.00 0.00 0.00 768 N 7.72 4.60 0.00 2.48 2.83 0.00 0.00 7.00 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 769 I 7.19 4.58 1.74 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.02 0.52 0.85 0.00 0.00 770 K 8.87 4.43 0.00 1.80 1.86 0.00 1.61 0.00 0.00 1.63 0.00 0.00 2.80 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.31 1.36 7.81 771 K 8.63 4.40 0.00 1.57 1.35 0.00 1.80 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.55 1.50 7.81 772 L 8.42 4.24 0.00 1.68 1.54 1.14 0.92 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 0.00 773 L 8.28 5.10 0.00 1.61 1.97 0.95 0.81 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 0.00 774 F 9.75 4.21 0.00 2.91 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 775 H 8.04 4.92 0.00 3.14 3.23 0.00 5.65 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 0.00 776 Q 8.05 4.21 0.00 2.05 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.65 0.00 0.00 0.00 0.00 0.00 2.35 2.29 0.00 * Residues marked with a * may have inaccurate shift predictions.