NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 515 D 4.6477 8.2076 120.5309 53.9797 43.1326 177.1944 516 P 4.0367 0.0000 0.0000 65.2166 31.0086 175.2614 517 D 4.7489 8.0577 116.6354 53.6256 42.3482 179.2731 518 K 3.9410 7.7898 120.9650 59.1969 31.9741 178.2700 519 R 4.0733 7.8323 118.2444 58.5460 30.2053 178.0737 520 R 3.8597 7.7955 118.2074 59.3717 30.1471 178.5480 521 K 4.0093 8.6473 118.6534 59.7084 32.0340 179.5376 522 T 3.8560 7.5415 115.2723 66.5582 68.3503 176.7188 523 L 3.9866 8.2039 121.2133 57.7426 41.6152 179.7639 524 V 3.6235 7.6085 118.4126 65.8804 31.3217 178.0866 525 I 3.7155 7.6361 119.5642 64.4392 36.9268 178.4943 526 I 3.7233 7.7044 120.3730 64.5266 36.7360 178.2441 527 E 3.9814 8.1702 119.3805 59.5017 29.4594 179.3720 528 K 4.0776 8.1726 118.8864 58.9646 32.2526 178.7525 529 T 4.0618 7.6594 115.9076 66.1671 68.7602 176.3221 530 Y 4.1238 8.7941 121.9048 60.6463 38.2895 178.0832 531 S 4.0587 7.9683 114.0674 61.1301 62.3152 176.1017 532 L 4.1828 7.2772 119.6087 57.2503 41.2525 179.1286 533 L 3.7626 7.6148 120.5392 58.0471 41.8436 179.0357 534 L 3.7772 7.2518 117.4591 57.2210 41.2414 178.4412 535 D 4.3756 7.2490 118.6106 56.5679 41.0508 178.3787 536 V 3.3262 7.0639 118.5179 65.2116 31.5760 176.3306 537 E 3.9883 7.8514 116.9939 56.5082 29.5698 176.9458 538 D 4.5643 7.2414 119.7695 53.6114 41.0412 175.9192 539 Y 4.3168 8.4650 124.9789 59.4967 38.2398 177.3616 540 E 4.2062 8.2598 119.8542 59.4337 29.7975 179.1549 541 R 4.0895 7.9193 118.3405 58.3809 30.2540 178.5338 542 R 3.8895 7.7957 117.3037 58.5834 30.0769 176.8970 543 Y 4.5278 7.5672 116.8933 59.5578 39.5092 177.3734 544 L 3.8792 7.8716 119.7871 57.8453 41.7819 179.4398 545 L 3.9382 8.1798 120.2930 57.9791 41.7542 178.8362 546 S 4.0709 7.8151 112.1042 61.1789 62.4027 175.5212 547 L 4.0774 7.3662 120.0211 56.5884 41.4812 178.0240 548 E 4.2858 7.1542 117.8694 57.3643 30.2980 176.4061 549 E 4.1660 7.6373 119.1966 55.3330 30.5137 176.2598 550 E 4.1808 8.4590 121.3776 56.3256 30.2228 178.8498 551 R 3.9382 8.5207 119.2535 59.0695 30.3214 176.8456 552 P 4.3923 0.0000 0.0000 64.8043 32.2118 177.0704 553 A 4.1158 8.2871 120.9709 55.5676 18.2782 179.6352 554 L 3.7557 7.4159 111.1807 56.3955 41.6188 178.5135 *556 D 4.5181 8.1039 119.1511 54.4777 43.0831 177.1956 557 D 4.4634 8.0818 118.7001 57.4960 40.6619 179.3173 558 R 3.8725 8.3926 118.8894 59.1203 30.1201 178.8673 559 K 3.8711 8.0469 118.9104 59.8182 32.2181 178.3429 560 H 4.1468 8.2530 116.3306 58.8830 28.4617 177.9419 561 K 3.9905 7.7111 118.5041 59.4974 31.9242 179.1319 562 I 3.8514 7.7030 119.1406 64.7169 37.2819 178.1095 563 C 4.4847 8.2299 117.3112 62.5483 27.4644 176.2471 564 S 4.5125 7.7226 114.0132 59.5593 62.2091 175.2336 *566 Y 4.7460 7.8511 125.5252 57.8254 39.9832 176.0077 567 D 4.4950 8.3399 117.6830 54.9622 41.0971 177.5394 568 N 4.3860 7.6538 116.7308 55.4422 39.2371 176.9867 569 L 4.1489 7.8312 119.6296 58.1687 41.7118 179.6263 570 R 3.8204 7.3823 116.3991 57.7626 29.8928 176.0352 571 G 3.6062 7.4108 106.6007 43.8107 0.0000 176.0473 572 K 4.4002 6.9475 120.2748 56.9399 33.0596 176.9260 *578 R 4.0350 8.8235 115.5492 54.8595 30.8360 172.0767 579 P 4.3501 0.0000 0.0000 62.6108 31.7900 176.4149 580 S 4.2929 8.5390 117.7845 58.5906 63.5239 175.2871 581 D 4.4717 8.7464 123.9057 57.2315 40.4795 178.4028 582 D 4.3587 8.2159 118.5830 57.5366 40.8785 177.4949 583 H 4.0486 7.7669 117.6003 59.5248 30.3128 176.7285 584 F 4.7075 8.2684 123.1046 60.4959 39.0929 177.2023 585 V 3.6306 8.0599 117.7124 66.1609 31.1971 177.7204 586 Q 4.2357 8.5186 118.1655 58.7449 28.5136 179.4823 587 I 4.4502 7.1482 119.6519 61.4871 36.2004 177.5795 *589 C 4.4038 8.0881 118.9046 59.3095 30.3114 174.9898 590 I 4.2057 6.8749 120.5162 59.9220 39.3262 176.7415 591 R 3.8000 8.2540 122.8384 59.6481 29.9422 179.0318 592 K 4.0882 7.9494 117.4297 58.7890 32.2668 178.7057 593 G 4.2433 7.7597 106.5539 47.4062 0.0000 175.4036 594 K 4.1373 7.7849 121.2757 58.6863 31.7386 179.5877 595 R 3.9408 7.4041 115.5023 56.9779 30.3176 177.3183 *597 V 4.1502 7.8523 118.8578 62.3256 33.1891 177.0796 598 A 4.0391 7.6932 119.4161 53.9417 18.1785 178.5667 599 R 4.4538 7.8830 113.9176 56.5191 31.4621 177.3554 600 I 4.4042 7.4933 119.4693 63.1523 37.7397 177.4030 601 L 3.9827 7.7693 119.8186 57.6649 41.3006 177.8553 602 P 4.1769 0.0000 0.0000 64.8291 31.1949 177.6687 603 F 4.6277 7.8518 115.4165 57.8124 39.9204 176.6116 604 L 4.2767 7.0226 117.7024 54.2983 42.1687 177.5785 605 S 4.3901 8.6219 117.1160 58.1889 65.0948 175.5729 606 T 3.8623 8.3248 118.5916 66.8174 68.1442 176.4721 607 E 3.8972 7.9767 120.5940 59.4169 29.8994 178.7038 608 Q 3.6180 7.7251 117.6339 58.6193 28.5387 178.6593 609 A 4.1173 8.4778 122.1669 55.0070 18.3310 179.5348 610 A 3.9859 8.0453 118.4167 55.0279 18.4122 179.2788 611 D 4.3912 7.8546 115.9925 57.6252 41.6667 178.0294 612 I 3.6513 7.6099 119.8302 64.1943 37.1373 179.2118 613 L 4.0148 8.0817 118.4084 56.0421 41.8980 178.5873 *615 T 4.4600 7.9236 116.0773 63.4915 70.8903 176.6319 616 T 4.1321 8.3035 117.9974 66.6479 68.3567 176.4735 617 A 4.1920 8.3849 120.4123 53.8131 18.4074 178.6892 618 R 4.6786 7.2870 117.2057 56.6940 30.8186 176.5959 619 N 5.1348 8.0032 115.6138 52.9252 39.7168 177.1319 620 L 4.0345 8.2386 121.2396 58.0577 42.3538 175.7864 621 P 4.2151 0.0000 0.0000 65.6233 31.0315 178.0652 622 F 4.4985 8.2099 118.6493 60.7409 39.3327 177.3686 623 L 3.8737 7.6178 117.8226 57.1443 41.6283 179.2740 624 I 3.9202 7.9016 120.3240 64.3534 36.9865 178.5528 625 K 4.0272 7.3910 116.2122 58.9317 31.8687 179.0262 626 K 4.0442 7.3101 117.7935 57.8967 32.2080 177.5148 627 D 4.6269 7.6156 117.5088 54.0458 40.8157 177.2342 628 A 3.9486 7.9085 120.5324 55.9814 18.6034 179.5786 629 Q 4.1718 7.9042 112.7779 58.7681 29.6041 177.2730 630 D 4.3330 8.2821 115.9083 56.9417 41.3669 176.6659 631 E 4.1315 7.7304 115.7083 56.4396 27.8972 173.7565 632 V 4.2234 8.9897 119.5210 63.0745 34.4668 177.3244 633 L 3.5705 8.3638 119.9516 57.6063 41.3976 177.3925 634 P 4.6144 0.0000 0.0000 65.3425 31.0167 177.6811 635 C 4.3401 8.1350 112.3436 59.9668 29.9062 174.7123 636 L 4.2224 8.1033 121.5647 55.4542 41.6868 178.1534 637 L 4.3728 7.8879 121.4210 58.2836 41.5975 178.8578 638 S 4.2216 7.9447 113.8026 60.5744 62.6776 174.2031 639 P 4.2799 0.0000 0.0000 65.4561 31.1224 178.5934 640 F 4.7380 8.1732 117.0106 60.3662 38.4584 178.0134 641 S 4.3716 8.5404 113.9215 61.3262 62.4105 176.5094 642 L 4.2733 7.8079 121.5106 57.2338 41.5784 178.8086 643 L 4.1745 7.6867 119.1449 58.1921 42.0256 178.9630 644 L 4.0792 8.0425 118.6030 57.8036 41.2046 178.1918 645 Y 4.1890 7.4958 112.6094 58.6168 37.4073 175.5256 646 H 4.8892 8.3455 114.8606 55.1872 30.1509 173.4644 647 L 4.7614 7.6521 119.7531 51.9134 44.2522 175.3205 648 P 4.5143 0.0000 0.0000 61.9655 33.4029 177.7022 649 S 4.1646 8.3519 113.3335 60.6653 62.9854 176.3409 650 V 3.6832 7.6021 122.2131 65.6175 31.3489 177.5887 651 S 4.1336 7.9095 112.5883 61.1780 62.3694 175.9471 652 I 3.7066 7.6466 122.3620 64.6613 36.8436 178.5918 653 T 4.0785 7.7640 116.6703 66.8784 68.2446 176.7267 654 S 4.1348 8.0638 114.8402 61.3296 62.2230 176.2825 655 L 4.0096 8.1663 122.0409 57.5526 41.1569 179.3038 656 L 3.9436 7.9112 118.0430 57.8945 41.8067 179.3265 657 R 4.0216 8.0599 117.9400 59.4246 29.8920 178.9669 658 Q 3.8927 7.8302 119.3390 58.8555 28.7975 178.1134 659 L 4.3611 7.7096 116.5480 55.8802 42.1084 176.4336 *661 N 4.4045 8.0117 113.6186 52.6544 39.9952 174.5539 662 L 4.1552 8.3063 117.1828 53.4627 42.7147 175.9541 663 P 4.4084 0.0000 0.0000 62.7373 31.8995 177.5461 664 Q 3.9918 8.6215 119.7877 59.1922 28.8836 177.8677 665 S 4.0563 8.0109 110.9124 58.9534 62.6654 174.8922 666 A 3.6433 7.9684 120.8835 52.5687 16.6843 177.5652 667 A 4.1447 7.2819 119.3249 52.3511 19.0008 177.9422 668 T 4.2555 8.0759 110.0450 59.4066 68.7734 173.1068 669 P 4.1655 0.0000 0.0000 62.5165 31.5686 176.2153 670 A 4.1366 8.8872 127.2351 54.6285 18.5927 176.3826 671 L 4.8941 7.4950 114.0709 53.3239 44.4281 175.4966 672 S 4.7154 8.3866 113.5313 57.6302 64.4217 174.0601 673 N 5.0550 8.1422 120.9827 50.4213 40.6033 173.7503 674 P 4.2315 0.0000 0.0000 66.1559 30.8769 178.4326 675 H 4.0603 8.1586 116.4524 59.3021 29.9830 176.9581 676 L 4.0562 8.7948 122.5310 58.3025 41.8455 179.0143 677 T 3.8266 8.1164 115.5454 66.7061 68.2475 176.5022 678 A 4.0512 7.8147 120.9951 54.8242 18.5470 179.6676 679 V 3.6784 7.3228 115.9554 66.1874 31.5912 178.3584 680 L 4.0802 8.0599 118.4329 57.1430 41.1740 178.4151 681 Q 4.6974 7.5587 116.7012 54.0250 29.4921 174.6642 682 N 4.9834 7.5359 120.0791 51.2246 41.1432 174.4854 683 K 3.8491 8.6859 125.3297 60.0820 32.0564 178.8078 684 F 4.4081 8.3810 119.6659 61.4538 39.6116 177.2144 685 G 3.4773 8.8381 105.5814 47.8769 0.0000 175.2308 686 L 3.9383 8.1981 123.6762 57.6155 42.0918 179.1539 687 S 4.1009 8.1121 115.0620 61.6843 62.9142 176.4347 688 L 3.8859 7.8850 123.2356 57.8987 41.6283 178.8590 689 L 3.8707 7.6630 119.9364 58.1760 42.0179 178.9594 690 L 4.0559 7.9549 118.9125 57.8449 41.5052 179.6716 691 I 3.7617 7.7880 119.8001 64.3010 37.0316 178.3734 692 L 3.9988 7.7759 119.3782 57.7686 41.4554 179.6259 693 L 4.1692 7.9504 118.8601 57.8211 41.5420 179.4157 694 S 4.0589 8.3082 113.2562 61.5810 62.4007 176.2239 695 R 3.7307 8.6205 121.7089 59.0522 29.6291 178.7773 696 G 3.0388 8.1978 105.6600 47.4881 0.0000 174.8949 697 E 3.9340 8.6368 123.1344 59.1322 29.4016 178.4564 698 D 4.2905 8.1621 117.6103 57.4890 41.0847 178.1250 699 L 3.8745 7.4982 119.1143 57.6287 42.0477 178.3990 700 Q 4.0114 7.8987 118.1392 58.3399 28.9759 177.9341 701 S 4.2498 8.0585 114.4346 60.8226 62.9060 175.7876 702 S 4.4909 7.2984 115.8826 58.2487 64.1460 174.1923 *711 N 4.6670 7.7809 118.9689 53.4281 39.7074 175.6687 712 N 4.6115 7.8637 118.9081 55.8183 38.9902 177.2533 713 Q 4.0886 8.1906 118.4398 58.6181 28.7298 178.2134 714 W 4.3994 8.1763 129.3619 60.3765 30.7265 178.0936 715 T 3.9202 7.9100 109.6180 64.8673 67.9546 176.1756 716 E 4.0789 7.9848 121.2623 58.5634 29.6226 177.6319 717 V 3.6365 6.7292 116.1522 63.3983 31.0937 175.7075 *719 F 4.4810 8.2323 117.6744 57.5580 40.6920 176.6108 *721 A 4.1668 8.0854 122.2766 51.8352 19.9666 179.9826 722 T 3.8332 7.6083 106.0405 64.9861 68.7074 176.3753 723 R 3.6598 7.7802 121.5655 59.0980 30.0481 178.3900 724 E 3.9738 7.8911 117.9366 59.1666 29.3406 179.0624 725 L 3.9651 7.8525 118.4660 57.3541 41.6783 178.9131 726 L 4.1270 7.3729 117.9062 56.6270 41.7688 178.7127 727 R 4.0743 7.3554 117.7685 57.6688 30.4954 176.8319 728 I 3.7887 7.2739 119.0922 59.6433 38.6765 173.6717 729 P 4.3152 0.0000 0.0000 62.8497 31.3906 176.9248 730 Q 3.9132 8.8116 121.2303 59.2502 29.2771 178.6680 731 A 4.1148 8.0259 119.6132 54.9967 18.6956 178.4479 732 A 4.1009 7.9364 118.5847 54.9016 18.6895 177.7290 733 L 4.3076 7.1858 116.5150 55.0767 41.8803 177.9525 734 A 4.2809 8.3087 126.0793 51.5407 19.7533 176.5756 735 K 4.3271 8.3547 120.7517 54.3100 32.8310 174.7537 736 P 4.3557 0.0000 0.0000 63.0092 32.0040 176.6577 737 I 3.9407 8.4933 124.4252 63.9208 37.2212 177.0332 738 S 4.6242 7.7738 112.3205 56.6817 65.6415 172.8978 739 I 4.4095 8.2134 124.9823 58.6436 38.5634 173.9316 740 P 4.5308 0.0000 0.0000 63.0548 31.6337 176.0648 741 T 4.3396 8.3518 108.7943 63.3141 70.0421 175.9425 742 N 4.6297 8.0480 118.1420 53.3305 37.6396 176.6144 743 L 3.8455 7.4854 122.7746 58.0301 41.7327 179.0682 744 V 3.7705 7.9507 117.6268 66.4259 31.2134 177.6877 745 S 4.1171 8.1041 110.7173 61.4375 62.5802 175.3368 746 L 4.1874 7.8379 122.6068 58.4706 41.7571 178.9091 747 F 4.5183 8.1915 117.5366 60.8470 38.6572 177.6915 748 S 4.2074 8.2036 114.0723 61.8625 62.7014 176.7654 749 R 3.9509 7.6357 118.9948 59.5717 29.9034 178.3518 750 Y 4.4736 7.8036 113.9523 58.6535 38.6395 176.1012 751 V 4.6084 7.6321 112.2640 58.4973 35.0243 175.6813 752 D 4.6106 8.5260 122.8845 53.3755 41.0535 177.7994 753 R 3.9132 8.5343 118.8012 59.6557 30.1759 179.0086 754 Q 4.0031 8.1969 117.0435 59.1517 28.7283 179.3046 755 K 3.9317 9.1016 119.5275 59.3389 32.0205 179.0890 756 L 3.9113 8.1841 120.8183 58.3255 42.0083 178.6347 757 N 4.3018 8.8369 116.6896 56.4137 38.5017 177.3819 758 L 3.9375 7.6895 119.7404 57.6678 41.6515 179.5075 759 L 3.7620 7.8863 118.8781 57.7355 41.5495 179.3142 760 E 3.9496 8.3432 118.7288 59.9967 29.2836 179.7749 761 T 3.9797 7.6281 113.5895 65.6523 68.4533 176.5980 762 K 4.0701 7.5383 121.2548 59.1050 32.5875 178.1759 763 L 4.2590 8.0047 116.1791 53.8611 43.3368 175.8195 764 Q 3.4938 7.8029 116.6785 56.3887 25.0025 173.3808 765 L 4.2996 8.2640 120.6406 54.8775 41.7639 177.2434 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 515 D 8.21 4.65 0.00 2.80 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 0.00 516 P 0.00 4.04 0.00 2.25 2.20 0.00 3.74 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.05 0.00 517 D 8.06 4.75 0.00 2.79 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 518 K 7.79 3.94 0.00 1.91 1.80 0.00 1.62 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.45 7.81 519 R 7.83 4.07 0.00 1.91 1.88 0.00 3.23 0.00 0.00 3.25 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 520 R 7.80 3.86 0.00 1.95 2.02 0.00 3.27 0.00 0.00 3.33 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.78 0.00 521 K 8.65 4.01 0.00 1.82 1.83 0.00 1.81 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.58 7.81 522 T 7.54 3.86 4.36 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 1.17 0.00 0.00 523 L 8.20 3.99 0.00 1.84 1.70 0.90 1.05 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 0.00 524 V 7.61 3.62 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 1.04 0.00 0.00 0.98 0.00 0.00 525 I 7.64 3.72 2.07 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.51 0.97 0.00 0.00 526 I 7.70 3.72 1.98 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.01 0.89 0.00 0.00 527 E 8.17 3.98 0.00 2.01 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 2.58 2.46 0.00 528 K 8.17 4.08 0.00 1.87 1.89 0.00 1.63 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.49 7.81 529 T 7.66 4.06 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 530 Y 8.79 4.12 0.00 3.09 3.14 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 0.00 0.00 0.00 531 S 7.97 4.06 0.00 3.96 3.85 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 0.00 532 L 7.28 4.18 0.00 1.92 1.63 0.92 0.40 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 0.00 533 L 7.61 3.76 0.00 1.70 1.60 1.05 0.71 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 0.00 534 L 7.25 3.78 0.00 1.47 1.57 0.79 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 535 D 7.25 4.38 0.00 2.84 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 536 V 7.06 3.33 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 -0.26 0.00 0.00 0.70 0.00 0.00 537 E 7.85 3.99 0.00 2.00 2.03 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 2.70 2.38 0.00 538 D 7.24 4.56 0.00 2.93 2.63 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 0.00 0.00 0.00 0.00 539 Y 8.46 4.32 0.00 3.12 3.01 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 0.00 0.00 0.00 540 E 8.26 4.21 0.00 2.21 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 0.00 2.80 2.38 0.00 541 R 7.92 4.09 0.00 1.86 2.00 0.00 3.12 0.00 0.00 3.24 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.86 0.00 542 R 7.80 3.89 0.00 1.87 2.04 0.00 3.13 0.00 0.00 3.27 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.65 0.00 543 Y 7.57 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0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 552 P 0.00 4.39 0.00 2.04 2.10 0.00 3.71 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 2.01 2.07 0.00 553 A 8.29 4.12 1.35 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 0.00 0.00 554 L 7.42 3.76 0.00 1.61 1.70 0.90 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 *556 D 8.10 4.52 0.00 2.79 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 557 D 8.08 4.46 0.00 2.86 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 558 R 8.39 3.87 0.00 1.92 1.96 0.00 3.13 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.69 0.00 559 K 8.05 3.87 0.00 1.79 1.92 0.00 1.64 0.00 0.00 1.76 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.50 7.81 560 H 8.25 4.15 0.00 3.46 3.33 0.00 5.87 0.00 0.00 0.00 0.00 6.92 0.00 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4.32 0.00 2.24 2.16 0.00 3.74 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.95 0.00 730 Q 8.81 3.91 0.00 2.12 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.95 0.00 0.00 0.00 0.00 0.00 2.41 2.42 0.00 731 A 8.03 4.11 1.28 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 0.00 0.00 0.00 0.00 0.00 0.00 732 A 7.94 4.10 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 733 L 7.19 4.31 0.00 1.81 1.62 0.88 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 734 A 8.31 4.28 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 735 K 8.35 4.33 0.00 1.78 1.76 0.00 1.81 0.00 0.00 1.72 0.00 0.00 2.91 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.38 1.47 7.81 736 P 0.00 4.36 0.00 2.11 2.02 0.00 3.75 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.14 0.00 737 I 8.49 3.94 1.95 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 1.44 0.40 0.97 0.00 0.00 738 S 7.77 4.62 0.00 3.95 3.82 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 0.00 739 I 8.21 4.41 1.91 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 1.45 0.67 0.97 0.00 0.00 740 P 0.00 4.53 0.00 2.09 2.07 0.00 3.72 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.15 0.00 741 T 8.35 4.34 4.27 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 1.24 0.00 0.00 742 N 8.05 4.63 0.00 3.04 3.12 0.00 0.00 6.29 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 7.49 3.85 0.00 1.79 1.98 1.06 0.72 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 0.00 744 V 7.95 3.77 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 1.02 0.00 0.00 745 S 8.10 4.12 0.00 3.93 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 0.00 746 L 7.84 4.19 0.00 1.78 1.59 1.25 0.79 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 0.00 747 F 8.19 4.52 0.00 3.19 3.07 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 0.00 748 S 8.20 4.21 0.00 4.10 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 749 R 7.64 3.95 0.00 1.28 1.49 0.00 3.25 0.00 0.00 3.03 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.78 0.00 750 Y 7.80 4.47 0.00 3.12 3.14 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 0.00 0.00 0.00 751 V 7.63 4.61 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 0.78 0.00 0.00 1.14 0.00 0.00 752 D 8.53 4.61 0.00 2.97 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 0.00 753 R 8.53 3.91 0.00 1.88 2.05 0.00 3.16 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.75 0.00 754 Q 8.20 4.00 0.00 2.26 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.91 0.00 0.00 0.00 0.00 0.00 2.46 2.47 0.00 755 K 9.10 3.93 0.00 1.96 1.83 0.00 1.56 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.45 7.81 756 L 8.18 3.91 0.00 1.86 1.87 1.08 1.01 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 0.00 757 N 8.84 4.30 0.00 2.92 2.85 0.00 0.00 7.07 7.39 0.00 0.00 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 7.69 3.94 0.00 1.94 1.64 0.97 0.35 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 0.00 759 L 7.89 3.76 0.00 1.61 1.22 0.28 0.38 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 0.00 760 E 8.34 3.95 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 2.37 2.58 0.00 761 T 7.63 3.98 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 762 K 7.54 4.07 0.00 1.98 1.86 0.00 1.71 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.38 1.58 7.81 763 L 8.00 4.26 0.00 1.63 1.71 0.90 0.86 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 0.00 764 Q 7.80 3.49 0.00 2.22 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.94 0.00 0.00 0.00 0.00 0.00 2.25 2.31 0.00 765 L 8.26 4.30 0.00 1.69 1.63 1.06 0.64 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 * Residues marked with a * may have inaccurate shift predictions.