NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 517 D 4.6157 8.2233 120.1912 53.6927 42.6060 176.3712 518 K 3.8735 8.4308 123.3997 58.3246 32.0460 177.8003 519 R 4.0863 8.0232 118.1537 59.3406 30.1410 178.2366 520 R 3.8467 7.7045 118.0340 59.3407 30.1362 178.4761 521 K 3.9413 7.9364 117.8105 59.7233 31.9808 179.2488 522 T 3.8455 8.4976 116.2102 66.7028 68.4016 176.7453 523 L 3.9831 7.8690 120.6867 57.4893 41.4679 179.8668 524 V 3.5591 7.6656 118.3474 66.1402 31.4656 178.0950 525 I 3.7108 7.8357 119.5468 64.4521 36.8889 178.4720 526 I 3.7262 8.1197 120.9520 64.4441 36.9351 178.3701 527 E 3.9947 8.2970 119.3702 59.1260 28.9192 179.1137 528 K 3.8646 8.3837 120.0591 60.1787 32.2938 179.0019 529 T 3.9770 8.2908 116.1225 66.6496 68.3885 176.3292 530 Y 4.0446 8.6361 122.0756 60.5809 38.8810 178.0600 531 S 4.1449 8.2564 114.3283 61.2839 62.4190 176.0882 532 L 3.9711 7.6639 121.3500 57.6091 41.2565 179.1933 533 L 3.8075 7.7715 120.2412 58.2089 41.7841 179.1264 534 L 3.8484 7.4900 117.6841 57.5370 41.8446 178.7761 535 D 4.4112 7.8001 117.7164 57.4248 41.1071 178.5469 536 V 3.4376 7.8740 118.9825 65.7945 31.1723 177.6820 537 E 4.2088 8.1198 117.4651 58.3647 29.6623 177.6055 538 D 4.6396 7.8026 116.7676 54.7163 41.4245 177.1774 539 Y 4.0251 7.5762 120.2429 61.6595 38.7679 177.7657 540 E 3.9406 8.3891 118.8718 59.3003 29.4735 179.1318 541 R 3.8694 7.9510 118.1669 59.6241 30.0110 178.6461 542 R 3.8602 7.4584 115.9069 59.4132 30.2078 178.1670 543 Y 3.8399 7.9784 119.6506 60.4114 38.4885 177.7367 544 L 4.0364 8.0920 120.6433 57.2608 42.2195 177.9225 545 L 4.5159 7.1826 116.2158 53.4704 42.1762 176.5735 546 S 4.5537 6.7557 114.3368 57.1146 64.5126 174.1061 547 L 4.1901 8.6650 122.0316 54.1542 42.5100 177.9832 548 E 3.8271 8.7609 121.8841 59.7272 29.2312 179.2594 549 E 4.0325 8.0480 116.8807 58.9802 29.8386 178.3765 550 E 4.1966 8.1395 118.3423 58.2809 29.4144 178.9991 551 R 3.8740 7.4968 117.7099 58.7346 30.2004 176.0050 552 P 4.4121 0.0000 0.0000 65.6819 31.8308 177.5766 553 A 4.1694 8.1263 120.3676 55.3107 18.6800 180.0535 554 L 4.1332 8.0840 112.7449 55.9099 41.4669 178.8819 *556 D 4.4494 8.2389 120.5670 54.5212 42.9840 177.3269 557 D 4.3634 8.2486 117.9022 57.4657 41.1564 178.1778 558 R 3.7346 8.0239 119.0285 59.2583 29.9432 178.2689 559 K 3.7707 7.7790 118.6292 60.0233 32.2238 178.4211 560 H 4.3424 8.0579 116.2748 58.7219 28.3207 178.0090 561 K 4.0201 7.9618 119.7668 59.2385 31.9269 179.1760 562 I 3.9025 7.5026 119.6193 64.2038 37.2826 177.9403 563 C 4.4144 8.1630 117.6377 62.9691 27.9383 176.6947 564 S 4.1185 8.0924 115.0659 59.8379 63.1473 175.7242 *566 Y 4.6317 7.8249 124.6913 57.8464 40.4209 176.8561 567 D 4.3974 8.7323 119.9014 57.5407 40.6194 178.6058 568 N 4.3727 8.2798 116.0385 55.7729 38.5055 177.1464 569 L 4.4277 7.5963 119.3520 56.7572 42.1925 177.9693 570 R 4.5285 7.8236 114.3878 55.4311 31.6529 175.8369 571 G 3.8151 8.2094 107.6824 45.2135 0.0000 173.7782 572 K 4.6785 8.1602 119.2041 54.4626 34.8752 176.2875 573 L 4.3344 8.8377 122.5616 53.2979 42.5224 174.6939 574 P 4.4062 0.0000 0.0000 64.2300 31.5605 177.3820 575 G 3.9999 9.2494 109.7506 45.1349 0.0000 173.0583 576 Q 4.5471 7.3078 116.8583 54.2077 30.8681 175.1492 577 E 4.3148 8.8180 121.5516 56.7619 30.4096 175.9176 578 R 4.7260 7.5360 116.0144 53.6305 33.7493 173.3516 579 P 4.3707 0.0000 0.0000 62.4214 32.0162 176.3976 580 S 4.2993 8.2798 115.8990 58.3419 63.0130 174.6560 581 D 4.6430 8.6248 125.1960 55.8651 40.6724 177.9435 582 D 4.4285 7.9291 119.9028 58.3690 40.8902 178.5226 583 H 4.2716 8.0866 115.2581 59.0178 28.7111 177.5455 584 F 4.1491 8.2411 120.5464 61.3133 39.3462 176.8007 585 V 3.7148 8.0504 116.8009 66.0903 31.4484 177.4960 586 Q 4.2447 8.1898 116.8214 59.0219 28.9096 180.8714 587 I 3.7870 7.5868 119.9267 61.4227 36.9827 177.3324 *589 C 4.3235 7.9785 115.7209 59.0007 30.0792 174.2117 590 I 4.4253 7.3729 121.8509 58.9087 39.6281 175.4993 591 R 3.7284 8.6023 124.7825 60.1372 29.6222 178.5259 592 K 4.0011 7.9190 117.9169 58.9624 32.3030 178.6620 593 G 3.7510 7.8121 105.1852 47.7628 0.0000 175.3109 594 K 4.1120 7.8584 121.4126 58.8785 31.5072 180.7593 595 R 3.9429 7.4540 115.9620 56.5636 29.5700 178.8263 *597 V 4.0477 7.9771 119.7070 62.9074 33.2223 177.0429 598 A 3.8642 7.9421 120.4572 55.1771 18.1570 179.2174 599 R 4.1656 7.4805 113.2705 57.9052 30.7022 178.7374 600 I 4.1805 7.6451 119.8527 63.8942 37.2728 177.6083 601 L 4.0002 7.9769 120.4267 57.6343 41.3612 178.0434 602 P 4.2058 0.0000 0.0000 65.3976 31.1033 177.5926 603 F 4.5862 7.8568 116.4109 58.1553 39.3529 176.0358 604 L 4.3267 7.1074 118.4996 53.7495 42.4307 177.3997 605 S 4.3344 8.5729 116.4412 58.5197 64.8540 175.6464 606 T 3.8421 8.3151 119.0097 66.7655 68.2819 176.5210 607 E 3.8886 8.0042 120.7087 59.3520 29.8484 178.7162 608 Q 3.7501 7.8349 117.5291 58.7961 28.7011 178.6733 609 A 4.1002 8.2416 121.6751 55.1504 18.2203 179.5650 610 A 3.9924 8.0757 118.5112 55.0854 18.4624 179.0272 611 D 4.4154 7.7884 115.4338 57.6862 41.6560 178.1498 612 I 3.5685 7.7189 120.0803 64.1776 37.1033 178.6375 613 L 3.8741 7.9210 118.4254 55.9285 41.4172 178.5790 *615 T 4.2782 7.8920 115.9761 63.4460 70.5338 176.4461 616 T 4.1720 8.2020 117.7620 66.6961 68.3547 176.5162 617 A 4.0396 8.0732 122.5967 55.2680 18.2384 179.6886 618 R 4.0088 7.4660 115.7499 58.5879 30.3477 176.9202 619 N 5.0931 7.7381 114.7577 52.7832 39.6397 176.1618 620 L 4.0761 8.0518 122.8683 57.9648 42.1291 177.1758 621 P 4.3479 0.0000 0.0000 65.6554 31.3049 178.3680 622 F 4.4217 8.2792 118.9784 61.2894 39.1868 177.0946 623 L 3.7892 7.8008 117.6255 57.5857 41.7083 179.1302 624 I 3.8549 8.1949 120.1956 64.3707 37.2257 178.3480 625 K 3.8861 7.9671 119.1052 59.6181 31.8080 179.0653 626 K 4.1359 7.5967 115.0995 57.4718 32.1392 177.5701 627 D 4.7045 7.6341 118.1064 53.8732 41.1018 177.3671 628 A 4.0239 7.6711 122.3180 55.2943 18.7371 179.5707 629 Q 4.2140 8.0007 113.6783 58.6752 29.4333 177.0818 630 D 4.3828 8.1034 116.1265 55.6506 41.3677 176.4670 631 E 3.9842 8.1277 117.0030 57.7640 27.7077 175.4861 632 V 4.2065 7.6934 108.6991 61.1920 33.0022 178.2191 633 L 3.6772 8.1575 121.9500 57.3513 41.3316 177.4160 634 P 4.6056 0.0000 0.0000 65.0098 31.0418 177.7847 635 C 4.3134 7.9515 112.5517 60.2178 29.8075 174.8146 636 L 4.1271 7.8334 120.9324 55.3386 41.4663 178.3231 637 L 4.2559 7.9462 121.5794 58.2083 42.1360 178.5363 638 S 4.1374 8.1162 112.7683 61.0598 62.4603 174.2760 639 P 4.2862 0.0000 0.0000 65.8571 31.0399 178.3086 640 F 4.6986 8.1978 117.6589 60.5507 38.5918 177.7482 641 S 4.2108 8.4798 114.3399 61.6189 62.4365 176.3636 642 L 4.2899 8.1778 121.6255 57.8087 41.3146 179.2568 643 L 4.1244 8.1525 120.1642 58.3958 42.0410 179.0457 644 L 3.9448 8.2049 118.7187 57.9651 41.2599 178.9574 645 Y 4.1196 7.5888 114.4174 60.1401 37.8698 176.7063 646 H 4.7674 8.1700 115.7159 54.7107 29.6360 174.5186 647 L 4.6383 6.9119 121.1243 52.4256 43.3936 175.6704 648 P 4.5605 0.0000 0.0000 61.8261 33.7564 177.4927 649 S 3.9750 8.3525 112.6714 61.9704 62.9635 176.5467 650 V 3.6106 7.7662 115.5442 64.2683 31.2410 178.6721 651 S 4.0917 7.8955 114.2676 61.6366 62.9709 176.4105 652 I 3.6858 7.4292 122.2161 64.8384 36.7820 178.6688 653 T 4.1479 8.2919 116.7534 66.8734 68.2822 177.0262 654 S 4.1588 8.1266 117.1254 61.4193 62.7810 176.8118 655 L 3.9731 8.1142 121.8326 57.7975 41.1734 179.5161 656 L 4.0212 7.6830 117.5728 57.8061 41.5975 179.3924 657 R 4.0467 8.0150 117.3943 59.2929 30.0392 178.5897 658 Q 4.1629 7.7994 118.5656 58.7949 29.1679 179.1620 659 L 4.2039 7.5741 119.0387 54.4514 41.7402 176.9584 *661 N 4.5539 8.0481 114.5840 53.3937 40.3994 173.5804 662 L 4.7403 7.5814 115.0079 51.2762 44.2731 174.1269 663 P 4.3712 0.0000 0.0000 64.8867 31.7133 177.0259 664 G 3.9787 9.1787 110.8053 44.9157 0.0000 173.2787 665 S 4.1655 7.8686 114.9383 58.5714 62.6833 172.8492 *674 P 4.7650 0.0000 0.0000 62.7906 32.5711 175.8590 675 H 4.9653 8.1076 115.7744 55.4126 29.4154 175.6294 676 L 4.8777 8.5555 124.3316 54.2417 42.8001 179.3100 677 T 3.8252 8.2670 116.7032 66.8819 68.4227 175.5644 678 A 4.0175 7.9711 120.5419 55.1905 18.5961 179.4943 679 V 3.6901 7.6982 116.0223 66.3338 31.8649 178.1877 680 L 3.9819 8.2089 118.7783 57.4917 41.2271 178.6630 681 Q 4.5480 7.8505 116.7986 54.4822 29.4801 174.8491 682 N 4.9854 7.7951 120.5578 51.2816 41.1032 175.1886 683 K 3.9290 8.9434 125.2704 59.8909 32.7240 178.9803 684 F 4.3158 8.6383 119.9886 61.1404 39.3772 177.1014 685 G 3.5297 8.5912 105.3814 47.7101 0.0000 175.1355 686 L 3.9142 8.2562 123.7886 57.8687 42.0692 178.9892 687 S 4.0788 7.9075 114.9169 61.7425 62.8461 176.6520 688 L 3.7464 7.8939 123.0877 57.9337 41.7285 178.7267 689 L 3.9173 7.8318 120.2977 58.1881 42.0330 179.0337 690 L 4.0629 8.1689 119.1388 57.7315 41.5504 179.5314 691 I 3.7106 7.9864 120.0799 64.1319 36.9185 178.5030 692 L 3.9275 7.9537 119.8069 57.7784 41.4526 179.3982 693 L 4.2341 7.9994 118.8826 57.9769 41.5738 179.5135 694 S 4.0039 8.1062 112.8728 61.5446 62.3306 176.3062 695 R 3.9555 8.0396 121.4108 59.1351 29.7584 178.6413 696 G 2.7087 8.1851 105.8841 47.1805 0.0000 175.1178 697 E 3.9219 8.3293 121.8044 59.2956 29.4543 178.2136 698 D 4.4106 7.5799 117.2253 57.9384 41.0403 179.0798 699 L 3.9935 7.7118 118.7716 57.8438 41.3196 179.6907 700 Q 3.9427 7.5096 117.1676 58.5037 28.8352 177.8540 701 S 4.3872 8.4169 113.4580 60.9334 62.8330 177.4912 702 S 3.2713 7.3762 113.6083 58.9881 64.1669 176.3263 *711 N 4.8993 8.3474 118.0320 52.1955 40.2439 177.3033 712 N 4.5102 9.1910 115.8699 55.8431 36.7632 176.1032 713 Q 4.0440 8.3838 120.5880 58.6315 28.5851 178.5761 714 W 4.2680 8.2208 127.8447 60.8337 30.8867 177.6592 715 T 3.5467 7.4972 114.7588 66.2771 67.8924 175.9460 716 E 4.2673 7.8767 120.6016 59.1188 29.9052 180.0320 717 V 3.7816 6.8918 110.6976 61.2475 32.0459 176.7468 *719 F 4.4800 7.9800 114.1251 57.4644 40.6988 177.1175 *721 A 4.1929 8.0289 125.4614 52.4405 20.2988 180.0979 722 T 3.6670 7.6788 106.0873 64.8377 68.8037 176.6098 723 R 3.8565 8.1595 121.1405 59.1492 29.6974 178.6778 724 E 3.9117 7.9982 118.3710 59.1719 29.5319 178.5855 725 L 4.0188 7.9401 118.5108 57.6611 41.6673 179.1847 726 L 4.0528 7.8999 118.7024 57.4790 41.5704 179.3244 727 R 3.9707 7.6643 117.8362 58.2569 30.4197 176.6801 728 I 3.5502 6.9961 117.1964 60.7066 38.5001 173.6646 729 P 4.3480 0.0000 0.0000 62.4874 32.0058 177.2164 730 Q 3.9975 8.7930 123.0387 59.0618 29.2381 178.2836 731 A 4.0376 7.9744 119.3559 54.5519 18.9025 178.1106 732 A 4.2311 8.3579 119.3980 54.3419 19.0938 177.6643 733 L 4.2065 7.4796 115.3654 55.0288 42.0286 177.8165 734 A 4.2266 8.4812 125.2685 51.6848 19.5860 177.0952 735 K 4.2604 8.4355 120.9817 54.6623 32.4963 175.0128 736 P 4.4288 0.0000 0.0000 62.5607 32.0738 176.9398 737 I 3.9392 8.8248 124.6995 63.9264 37.2292 176.8137 738 S 4.6401 7.7033 111.4071 56.4818 65.8168 173.4802 739 I 4.3554 8.0885 122.5140 58.6972 38.0521 173.8071 740 P 4.3392 0.0000 0.0000 63.0890 31.6689 178.0787 741 T 4.0934 8.4573 112.1593 63.9641 69.4299 174.9661 742 N 4.7042 8.0090 118.3797 52.9336 38.1051 176.6591 743 L 3.5916 7.6401 119.9109 58.0834 41.6938 179.2180 744 V 3.6708 7.7756 117.6175 66.2954 31.1704 177.7505 745 S 4.0930 7.9482 110.9201 61.1405 62.2562 175.4349 746 L 4.3591 7.5895 124.2697 57.8844 41.8765 179.1580 747 F 4.6968 8.0230 117.4851 60.5157 38.5501 177.8222 748 S 4.2375 7.8610 114.0004 61.6341 62.6095 176.5282 749 R 3.8215 7.5018 119.9117 58.4717 29.8047 177.1147 750 Y 4.6440 7.4064 112.2819 57.6141 38.8915 175.4578 751 V 4.5637 7.5823 118.7911 60.1005 34.9816 174.8675 752 D 4.7421 8.4438 125.6861 52.5847 42.0729 177.2239 753 R 3.8745 8.3770 118.0014 59.6990 29.7406 178.1869 754 Q 4.1171 8.1337 117.3545 59.1497 28.8177 178.9903 755 K 4.0807 8.4012 119.4126 59.0312 32.0765 179.0267 756 L 3.9718 8.1392 120.9204 58.4342 41.8795 178.8724 757 N 4.3502 8.2329 116.1693 56.1768 38.4405 177.1197 758 L 3.9471 7.4310 118.9807 57.9234 41.7770 179.4760 759 L 3.8555 7.8436 118.4156 57.9009 41.5179 179.2708 760 E 3.9932 8.2263 118.2540 59.9504 29.4751 179.5959 761 T 3.8315 8.0380 115.3412 66.5584 68.3590 176.2430 762 K 3.8307 8.1098 120.3953 59.4075 32.2068 177.8468 763 L 4.4930 8.0519 115.6091 53.0564 43.0695 176.8444 764 Q 3.2699 7.6599 116.8669 56.8372 26.6205 173.6169 765 L 4.3897 8.2398 119.2669 54.4113 43.7129 176.7036 766 V 4.0143 8.1864 121.2539 61.7804 31.5605 175.6420 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 517 D 8.22 4.62 0.00 2.77 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 518 K 8.43 3.87 0.00 1.93 1.85 0.00 1.76 0.00 0.00 1.80 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.54 1.57 7.81 519 R 8.02 4.09 0.00 1.92 1.95 0.00 3.08 0.00 0.00 3.08 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 520 R 7.70 3.85 0.00 2.00 1.89 0.00 3.15 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 521 K 7.94 3.94 0.00 2.03 1.83 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.53 1.54 7.81 522 T 8.50 3.85 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 1.18 0.00 0.00 523 L 7.87 3.98 0.00 1.86 1.68 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 524 V 7.67 3.56 2.28 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 1.10 0.00 0.00 0.96 0.00 0.00 525 I 7.84 3.71 1.98 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 1.73 0.75 0.89 0.00 0.00 526 I 8.12 3.73 1.99 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 1.51 0.72 0.87 0.00 0.00 527 E 8.30 3.99 0.00 2.14 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 2.49 2.44 0.00 528 K 8.38 3.86 0.00 2.03 1.93 0.00 1.53 0.00 0.00 1.66 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.56 7.81 529 T 8.29 3.98 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 1.26 0.00 0.00 530 Y 8.64 4.04 0.00 3.18 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 0.00 531 S 8.26 4.14 0.00 4.13 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.66 3.97 0.00 1.92 1.67 0.93 0.39 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 0.00 533 L 7.77 3.81 0.00 1.69 1.50 1.10 0.37 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 0.00 534 L 7.49 3.85 0.00 1.73 1.66 1.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 535 D 7.80 4.41 0.00 2.72 2.77 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 0.00 536 V 7.87 3.44 1.55 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 -0.43 0.00 0.00 0.71 0.00 0.00 537 E 8.12 4.21 0.00 2.14 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 0.00 2.73 2.60 0.00 538 D 7.80 4.64 0.00 2.90 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 0.00 539 Y 7.58 4.03 0.00 2.94 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 0.00 540 E 8.39 3.94 0.00 2.09 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 2.59 2.42 0.00 541 R 7.95 3.87 0.00 1.88 2.10 0.00 3.19 0.00 0.00 3.46 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.72 0.00 542 R 7.46 3.86 0.00 1.78 1.89 0.00 3.20 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.89 0.00 543 Y 7.98 3.84 0.00 2.33 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 0.00 544 L 8.09 4.04 0.00 1.79 1.96 0.94 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 545 L 7.18 4.52 0.00 1.56 1.62 0.90 1.32 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 0.00 546 S 6.76 4.55 0.00 3.88 3.84 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 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0.00 0.00 1.41 1.48 7.81 736 P 0.00 4.43 0.00 2.10 1.99 0.00 3.76 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.13 0.00 737 I 8.82 3.94 1.92 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 1.41 0.52 0.96 0.00 0.00 738 S 7.70 4.64 0.00 3.93 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 0.00 739 I 8.09 4.36 1.89 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 1.44 0.70 0.94 0.00 0.00 740 P 0.00 4.34 0.00 2.14 1.98 0.00 3.60 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.09 0.00 741 T 8.46 4.09 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 0.00 742 N 8.01 4.70 0.00 2.86 3.06 0.00 0.00 6.30 6.67 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 0.00 743 L 7.64 3.59 0.00 1.78 1.56 0.97 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 744 V 7.78 3.67 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 1.15 0.00 0.00 1.10 0.00 0.00 745 S 7.95 4.09 0.00 3.88 4.02 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 0.00 746 L 7.59 4.36 0.00 1.69 1.45 1.27 0.58 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 0.00 747 F 8.02 4.70 0.00 3.16 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 0.00 748 S 7.86 4.24 0.00 4.03 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 749 R 7.50 3.82 0.00 0.77 1.26 0.00 3.16 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.73 0.00 750 Y 7.41 4.64 0.00 2.77 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 0.00 0.00 0.00 0.00 751 V 7.58 4.56 2.34 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 0.81 0.00 0.00 1.04 0.00 0.00 752 D 8.44 4.74 0.00 3.01 2.85 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 0.00 0.00 0.00 753 R 8.38 3.87 0.00 1.95 1.97 0.00 3.25 0.00 0.00 3.35 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.79 0.00 754 Q 8.13 4.12 0.00 2.35 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.69 0.00 0.00 0.00 0.00 0.00 2.45 2.52 0.00 755 K 8.40 4.08 0.00 1.82 1.82 0.00 1.70 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.55 7.81 756 L 8.14 3.97 0.00 1.94 1.90 1.06 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 757 N 8.23 4.35 0.00 2.95 2.86 0.00 0.00 7.04 6.50 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 0.00 758 L 7.43 3.95 0.00 1.93 1.69 0.90 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 759 L 7.84 3.86 0.00 1.76 1.52 0.35 0.34 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 0.00 760 E 8.23 3.99 0.00 2.21 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.63 0.00 761 T 8.04 3.83 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 1.21 0.00 0.00 762 K 8.11 3.83 0.00 1.93 1.94 0.00 1.73 0.00 0.00 1.76 0.00 0.00 3.12 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.49 7.81 763 L 8.05 4.49 0.00 1.76 1.71 1.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 764 Q 7.66 3.27 0.00 2.15 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.91 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 765 L 8.24 4.39 0.00 1.76 1.62 1.04 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 766 V 8.19 4.01 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 0.78 0.00 0.00 0.94 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.