NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *486 H 4.7331 8.4029 117.3757 54.6963 30.8972 175.8135 487 E 4.1455 7.9257 119.0381 60.3626 29.8438 180.6365 488 R 4.2518 8.2408 120.7707 62.4173 29.9942 183.3635 489 L 4.3040 7.6800 124.5926 60.4783 40.8667 182.0844 490 T 4.3091 8.0183 117.0769 65.8921 68.5305 179.3251 491 L 4.3981 7.8282 126.3184 60.4634 40.9108 183.4918 492 D 4.5183 8.2091 122.2131 58.6025 39.8468 180.1865 493 T 4.0431 7.9761 117.6892 66.6878 68.4900 176.5197 494 R 3.9116 8.1491 120.0598 59.3336 30.3271 178.0596 495 L 2.5725 7.7497 120.1738 57.8099 41.9300 178.8267 496 R 3.6914 8.1505 118.8604 59.5457 29.8992 178.2842 497 Q 3.8586 7.9991 118.9848 58.9807 28.9917 177.8715 498 A 3.9721 7.8018 123.6156 54.4448 17.6265 179.6572 499 L 3.5756 7.3705 117.1561 57.4703 41.3874 179.2261 500 E 3.8962 7.6929 118.5574 58.8695 29.6463 178.3207 501 R 4.3634 7.6844 114.6479 54.5492 31.3958 176.1596 502 N 3.8813 7.3004 113.9766 54.6302 36.0877 174.3173 503 E 4.4960 8.1907 115.2221 56.3458 31.1990 177.9859 504 L 4.4350 7.0822 119.9094 54.2598 42.9147 176.5213 505 V 4.8617 8.9139 120.2773 60.2656 35.3214 173.8696 506 L 5.0426 8.7662 122.1218 53.7238 43.3113 175.9296 507 H 5.0992 8.8277 120.8518 54.7728 32.0003 173.5901 508 Y 5.1310 9.1810 116.9485 56.5933 42.0672 174.2100 509 Q 5.0626 9.0317 126.0618 53.7025 30.9881 172.9988 510 P 5.1713 0.0000 0.0000 63.5048 32.3076 175.5265 511 I 4.7161 9.0896 125.0602 59.7403 39.5409 174.8672 512 V 5.0176 9.2205 126.2444 60.8921 35.1694 174.0527 513 E 4.6595 9.3816 128.9707 55.9648 29.7555 177.1899 514 L 4.1323 9.1516 128.6033 57.4236 41.7014 178.9509 515 A 4.1375 8.1929 121.0255 54.5952 18.4920 178.1615 516 S 4.4921 8.1929 107.9383 57.8751 64.3996 175.4158 517 G 4.0280 8.6315 109.2984 44.9143 0.0000 173.7699 518 R 4.0872 7.6073 120.7006 56.3934 30.5191 175.5292 519 I 4.3850 8.9232 127.1471 61.6271 37.2993 176.1231 520 V 4.4011 8.3800 117.5693 60.9307 33.9829 175.1129 521 G 4.3488 7.9306 106.9691 46.0812 0.0000 172.3664 522 G 4.6781 8.2368 105.1599 44.9744 0.0000 171.7925 523 E 4.9438 9.1482 125.7696 54.6373 31.1120 175.1920 524 A 4.2760 9.0145 130.3776 51.9588 19.3524 176.5955 525 L 4.8021 8.7751 122.5631 52.6654 45.3092 176.6975 526 V 4.4641 8.5369 123.7268 61.8002 32.6890 175.5662 527 R 5.0083 9.4266 120.7725 54.4233 35.3405 173.9724 528 W 4.7715 9.0081 130.9806 55.8464 32.6213 174.8042 529 E 4.5844 8.9009 129.4299 55.2416 27.5305 174.5468 530 D 4.3397 8.2098 122.6253 53.0743 41.7157 175.1230 531 P 4.4823 0.0000 0.0000 63.9469 31.7828 176.1592 532 E 4.3223 8.1899 119.2003 57.4692 30.7389 176.3839 533 R 4.2349 7.7919 113.9727 55.1262 31.3808 177.7372 534 G 3.6432 7.8986 107.4974 44.3196 0.0000 171.9644 535 L 4.1825 8.3793 122.5232 55.2375 42.2997 177.4546 536 V 4.2278 8.6247 128.5819 60.6678 34.0884 173.6124 *538 P 2.9700 0.0000 0.0000 62.3869 32.6736 178.6421 539 S 4.2395 7.8882 111.6292 60.3134 62.9340 174.9847 540 A 4.3112 7.8292 123.1076 53.7164 18.9020 177.8627 541 F 5.0184 7.3617 107.9311 56.6478 40.3402 177.0669 542 I 3.6402 7.7990 122.9092 64.1004 36.6202 176.5376 543 P 4.2745 0.0000 0.0000 65.3236 31.4524 178.3078 544 A 4.1549 8.0192 119.1795 55.0210 18.5986 179.3387 545 A 3.9819 8.1893 119.3511 55.3575 18.2305 179.4087 546 E 3.9460 8.3706 116.5972 59.9129 29.5602 179.2231 547 D 4.5412 7.9512 118.1204 57.0426 41.2304 178.1461 548 T 4.2859 7.8623 106.8443 61.8190 69.8710 175.6310 549 G 3.9701 8.1875 110.8084 45.6562 0.0000 175.0092 550 L 3.9266 7.5101 121.2951 58.0815 41.7500 178.3244 551 I 3.7082 7.6987 118.5490 64.1022 37.5684 178.0920 552 V 3.5661 7.7054 119.1617 64.8096 31.3713 178.1336 553 A 3.9724 7.9527 121.9737 54.4148 18.1825 179.1917 554 L 3.9223 7.8347 118.3970 58.4273 42.2422 179.1931 555 S 4.2932 8.5485 113.2495 61.1149 62.2344 175.8786 556 D 4.3672 8.3492 122.3263 56.8351 40.4584 178.3544 557 W 3.9751 8.2602 128.9211 60.4598 30.7288 177.9670 558 V 3.2866 8.4446 118.6000 66.0009 30.8994 177.7680 559 L 3.8758 7.8598 118.3572 57.8883 41.4266 179.4385 560 E 3.7785 7.9079 117.9148 59.4156 29.4584 179.3577 561 A 3.5808 7.4214 120.8670 54.9358 18.2319 179.3246 562 C 3.9794 7.8930 117.2363 62.7258 31.6431 175.4348 563 C 3.9805 7.9264 118.2435 63.2385 27.6717 176.0591 564 T 3.7187 7.8314 117.2948 66.8320 67.9363 176.3518 565 Q 3.3800 7.8199 121.0465 58.7176 28.9743 177.8425 566 L 3.8662 7.4650 121.3176 58.1436 42.0898 178.8873 567 R 3.8326 8.0560 118.4886 59.2686 29.9923 178.2033 568 A 3.9417 8.0887 120.8373 55.1665 18.3310 179.6468 569 W 4.4874 8.1821 117.5889 60.0068 29.0429 178.8965 570 Q 4.0395 8.3579 118.0778 59.2537 28.0326 178.8262 571 Q 4.1155 8.3374 117.8866 58.5303 28.7652 177.9188 572 Q 4.4581 7.9544 116.7885 55.2150 29.0149 176.4607 573 G 3.9488 7.7899 108.0091 46.2141 0.0000 174.8789 574 R 4.1298 8.2496 119.6535 56.6415 30.9673 176.6710 575 A 4.3836 7.8317 120.5229 50.2506 19.9176 176.7538 576 A 4.3067 8.3009 125.9619 51.7823 19.3166 177.9797 577 D 4.4258 8.5151 119.2370 57.3420 40.9112 177.8295 578 D 4.5312 7.9664 116.1556 54.1514 39.9535 175.7176 579 L 4.8010 7.7794 123.6228 54.3634 42.8712 175.8002 580 T 4.9825 8.5511 114.8610 59.8663 73.0502 172.3201 581 L 5.3441 8.6599 121.2778 52.9874 45.6082 175.9432 582 S 5.7944 8.9473 117.3940 56.0813 66.0695 173.0461 583 V 4.7032 8.0676 120.8118 61.0757 34.6289 174.0089 584 N 5.1220 8.8167 124.8996 53.2319 39.1374 174.4096 585 I 4.6667 8.8268 124.7502 59.5560 40.1833 175.4384 586 S 4.6900 8.8649 120.2633 57.2015 63.8457 175.2951 587 T 4.5203 8.4150 115.2025 64.3726 68.6892 176.6050 588 R 4.1236 8.3827 121.4780 58.6995 30.1466 178.0329 589 Q 4.2283 7.9020 117.0202 57.4450 28.7942 177.7514 590 F 4.4347 7.9185 118.7736 58.4822 39.1646 175.1502 591 E 4.1492 7.6427 118.0032 57.7571 29.4591 177.3394 592 G 3.8648 9.8684 113.0447 46.5566 0.0000 172.8226 593 E 3.9191 8.6597 116.0956 57.0515 28.0000 176.8353 594 H 4.0610 7.8239 118.7943 58.6650 29.6719 176.1602 595 L 3.7326 7.6461 122.4468 58.4998 41.7563 178.9839 596 T 3.8111 7.2871 115.0139 66.8347 68.4154 176.5041 597 R 3.8202 7.9293 119.6530 59.3858 30.2078 178.1869 598 A 3.9358 7.8601 120.6052 54.7831 18.4390 179.7901 599 V 3.5037 8.0103 117.2166 66.1639 31.5529 178.0719 600 D 4.3125 8.2353 118.7585 57.2543 40.5831 178.6591 601 R 3.8188 8.1332 119.0432 59.4144 30.0885 178.4182 602 A 3.9151 7.8236 120.2076 55.1285 18.3151 179.6492 603 L 3.8781 8.0403 117.2804 57.7631 41.4640 179.6500 604 A 3.9487 7.8868 119.6803 55.3470 18.4494 179.6823 605 R 4.0049 8.0434 115.9108 59.1665 30.1960 179.0196 606 S 4.3184 8.0528 113.2093 58.7190 63.3031 175.3161 607 G 3.8620 8.0056 109.1029 45.7434 0.0000 173.2908 608 L 4.0034 7.6760 121.5782 54.1424 42.8725 176.9635 609 R 3.9831 8.5155 125.8708 55.8693 30.8911 175.4283 610 P 4.2685 0.0000 0.0000 65.6053 31.4831 177.4515 611 D 4.8845 7.8078 113.9194 53.6032 40.0177 176.6992 612 C 4.2891 8.0506 117.8298 61.1267 28.5799 172.5294 613 L 5.2333 7.7215 122.4183 53.1701 44.3432 174.7449 614 E 5.0818 8.8890 124.8829 54.5370 33.5809 173.8978 615 L 5.3372 9.2268 125.0654 52.9945 45.9215 175.2331 616 E 5.1715 9.0606 120.9343 54.7176 32.9617 174.8417 617 I 5.0582 8.8277 124.2357 58.9949 42.2475 174.8626 618 T 4.4786 8.5163 116.9237 61.2915 69.4052 174.8092 619 E 3.9589 8.8099 123.5906 59.5864 29.6398 177.9000 620 N 4.6654 7.5946 114.6851 54.7354 39.0475 176.9355 621 V 3.8644 7.6246 122.1424 61.0675 30.3151 177.9940 *623 L 4.3616 7.8385 120.3881 55.0787 43.7927 177.9300 624 V 4.2539 7.3890 111.1851 59.5381 33.6713 175.7754 *626 T 4.1232 8.0211 113.5296 61.4112 71.0344 174.7604 627 D 4.2745 8.3345 119.8794 57.2992 40.6117 178.2676 628 E 3.9056 8.2655 119.4407 59.6542 29.4864 179.1997 629 V 3.4256 7.3487 117.9381 65.7959 31.6826 177.7723 630 R 3.7259 8.1531 118.8896 59.8505 29.8488 178.5741 631 T 3.8878 8.2844 115.7855 66.8540 68.4405 176.4862 632 C 4.2576 7.9775 118.8051 62.6525 28.2066 175.8915 633 L 4.0265 7.8892 120.6273 58.1325 41.1574 179.4758 634 D 4.2962 7.9947 117.8741 57.1639 40.3753 178.4347 635 A 3.9874 8.0714 121.3058 55.4503 18.4792 179.7910 636 L 3.9812 8.0616 117.2550 57.7547 41.8431 179.5502 637 R 3.9154 8.1418 118.5215 59.5109 29.8181 178.4510 638 A 4.0981 8.1325 119.1188 54.4557 18.4177 178.9426 639 R 4.2754 7.5555 114.7968 56.4301 30.3428 177.6595 640 G 3.7857 7.9463 107.0169 44.9827 0.0000 172.7764 641 V 4.0210 7.3097 119.6479 61.7258 31.8644 176.1448 642 R 4.1919 8.2435 128.7732 56.2128 31.3163 175.7470 643 L 5.3672 8.8692 122.8351 53.0040 44.4820 175.3106 644 A 5.2640 9.6276 125.7230 50.0665 22.9219 174.9812 645 L 4.6955 8.4282 120.1193 53.5261 42.8787 175.9347 646 D 4.7295 8.9818 125.1323 54.2011 42.5833 175.5173 647 D 4.6420 8.6850 121.3185 54.2283 39.0512 173.3694 648 F 4.2970 8.1170 121.7863 59.8074 39.5025 175.4903 649 G 3.7368 8.2378 115.7021 45.7449 0.0000 174.1760 650 T 4.4385 7.7544 107.9254 61.2231 69.7917 174.5999 651 G 4.2681 8.1233 112.8246 44.4442 0.0000 171.3530 652 Y 4.6043 8.6605 118.0656 56.1723 40.2424 175.3214 653 S 4.9152 8.5440 120.0228 56.5433 66.0343 174.0051 654 S 4.4653 8.5623 118.0903 57.5795 63.5654 175.3321 655 L 4.1071 8.5096 129.4830 57.6357 41.7250 179.4893 656 S 4.2719 7.8844 113.9046 61.7006 63.0607 175.8579 657 Y 4.4319 7.7459 121.0056 60.7554 37.4673 178.3187 658 L 4.1803 8.0785 119.6924 58.7087 42.1609 178.8874 659 S 4.3904 7.9019 112.9431 60.2619 62.9457 174.9844 660 Q 4.3929 8.0086 119.8566 57.1188 29.9025 176.5260 661 L 3.9973 7.5562 115.9807 53.6954 42.8041 175.5116 662 P 4.3650 0.0000 0.0000 61.5077 30.1357 175.8104 663 F 5.0311 7.0971 117.7514 57.6282 40.7640 176.0429 664 H 4.9042 9.6120 120.9245 55.9967 30.2499 174.4809 665 G 4.3519 7.8800 104.3372 44.9668 0.0000 171.8047 666 L 5.1244 9.0184 120.3010 52.5249 46.0362 175.9263 667 K 5.0850 8.9778 122.7708 54.4755 34.6779 175.7844 668 I 4.3466 8.5435 127.6563 61.1795 37.9851 175.6801 669 D 4.7789 8.9199 127.6302 54.2547 41.9937 177.4110 670 Q 4.7418 8.9971 124.0672 58.5897 28.4920 178.7296 671 S 4.0134 8.2360 116.0997 60.8561 63.2037 176.0770 672 F 4.5627 7.3514 121.5168 60.1028 38.9985 177.8074 673 V 3.6477 7.8967 117.4532 66.1693 31.0751 177.7641 674 R 3.9208 7.8748 117.2640 58.6462 30.1500 176.9039 675 K 4.4994 8.1933 115.5693 55.7776 32.6216 175.4327 676 I 4.4459 7.3315 112.9176 58.6545 39.2918 173.6861 677 P 4.1638 0.0000 0.0000 62.0168 31.3666 176.8815 678 A 3.9617 7.8066 123.0772 54.5390 18.7258 177.5488 679 H 4.7937 7.9859 114.0573 53.5192 30.3334 173.4370 680 P 4.2162 0.0000 0.0000 65.6388 31.3571 178.3704 681 S 4.0574 8.0829 111.2147 61.7769 62.4243 176.0640 682 E 4.0415 8.1416 120.5167 59.3826 28.9151 179.2131 683 T 3.8341 8.2585 116.5779 66.7683 68.6136 176.6777 684 Q 4.2559 8.4434 121.0055 58.4830 28.6152 178.3899 685 I 3.5451 7.5423 121.7107 64.1879 36.9966 178.5101 686 V 3.6252 7.7068 119.0327 66.2289 31.2006 178.2934 687 T 3.9637 8.0783 109.5592 64.8061 68.6006 176.8970 688 T 3.8869 8.0060 118.6980 66.5551 68.4555 176.3136 689 I 3.7592 7.8113 121.7800 64.8278 37.2519 178.1380 690 L 3.9338 8.1266 119.1523 58.0869 41.3613 179.6688 691 A 4.0556 8.0264 120.4584 54.7728 18.3246 179.6698 692 L 3.8966 8.5019 117.7610 58.0649 41.7614 179.5853 693 A 3.9905 8.2320 120.8362 55.0774 18.0062 179.9303 694 R 3.9288 7.6778 115.4298 59.5413 30.3212 179.3165 695 G 3.7623 7.7142 103.5640 47.2160 0.0000 174.6691 696 L 4.5557 7.7552 118.4998 53.1799 43.2324 175.3254 697 G 3.5620 7.4708 109.8297 45.4853 0.0000 172.7272 *699 E 4.3052 7.7279 122.6433 56.4995 32.2713 174.5269 700 V 4.9027 8.1992 121.1129 61.1853 34.8815 174.2378 701 V 4.9424 8.7462 127.5038 61.1275 33.9113 174.0625 702 A 4.8119 9.0195 130.6506 51.3994 20.2584 175.8844 703 E 4.7526 8.9784 122.3136 55.6297 31.9790 176.9409 704 G 3.8956 8.7359 110.4884 46.2441 0.0000 173.7507 705 I 3.8741 7.9202 121.0000 61.4400 37.0317 176.4190 706 E 4.6340 9.6114 125.6466 56.3370 31.5050 176.8554 707 T 4.7611 7.7062 108.0645 58.7707 73.3566 174.1591 708 A 4.0002 8.6561 123.7143 55.6274 18.2434 180.0249 709 Q 3.9615 8.0411 117.2143 59.4881 29.3248 178.2093 710 Q 4.0496 8.1613 119.0379 59.1505 28.6244 178.0297 711 Y 4.0255 8.2531 120.2414 60.9899 38.7532 178.3617 712 A 4.1742 8.4393 121.4710 55.0145 18.6019 179.4272 713 F 4.0030 8.4422 119.2721 61.3330 39.4465 177.3751 714 L 3.9898 8.1544 118.5903 57.7916 41.4885 179.3323 715 R 3.7387 7.8691 118.4536 59.7677 29.8156 178.3371 716 D 4.3560 8.2567 117.2246 56.6052 40.8049 177.9630 717 R 4.3076 7.4247 115.7491 55.5409 30.3916 176.9741 718 G 3.7918 7.7341 107.2997 45.3036 0.0000 173.2090 719 C 4.1404 7.8773 120.6115 58.9160 32.0879 172.9745 720 E 3.7231 8.7907 128.6848 58.8109 29.9218 176.0139 721 F 5.5257 8.0181 117.1740 55.8228 43.0992 174.0783 722 G 4.6350 9.2816 107.5844 45.3340 0.0000 171.2799 723 Q 4.8857 8.7891 120.5616 54.3724 32.5220 173.8635 724 G 4.3494 8.4991 111.9028 46.0325 0.0000 173.0969 725 N 4.5478 8.4990 117.9722 55.9010 38.6951 176.9883 726 L 3.8762 7.6239 118.1129 56.8470 42.2941 176.4901 *728 S 4.1835 7.7873 111.4579 58.7063 63.0590 173.1927 729 T 4.5846 8.2603 117.4044 60.0623 69.8943 172.0375 730 P 4.7036 0.0000 0.0000 63.2992 32.0087 176.1897 731 Q 4.8775 8.9937 121.5761 53.6039 32.5902 175.4093 732 A 4.2585 8.6568 124.7307 52.1642 19.3967 178.1620 733 A 4.4862 9.2091 122.1228 56.1006 18.4402 180.1627 734 D 4.4371 8.4148 116.1293 57.6280 41.0264 178.9364 735 A 4.0563 8.0827 120.7902 54.8298 18.5045 179.1973 736 F 3.9040 8.8158 119.5186 61.5250 39.5346 177.3277 737 A 3.4183 8.3223 120.2090 54.4849 18.0109 179.8252 738 S 3.9920 7.7237 114.0872 61.7326 62.8816 176.7485 739 L 3.8482 7.4273 121.1553 57.5629 41.2562 179.4736 740 L 3.7437 7.3004 118.9234 57.8215 41.5516 179.3626 741 D 4.2481 7.8165 118.6228 57.5225 40.5764 179.1567 742 R 3.9747 7.6331 117.0162 58.7266 30.1337 178.6217 743 Q 4.0340 7.7924 119.5201 58.7989 28.8576 177.7322 744 K 3.8510 7.7473 119.4430 59.5627 32.2901 178.2188 745 A 4.1009 7.6071 119.3511 55.1344 18.3062 178.0207 746 S 4.3549 7.6298 117.4284 58.9948 63.0400 174.1147 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 *486 H 8.40 4.73 0.00 2.85 3.05 0.00 7.16 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 0.00 487 E 7.93 4.15 0.00 2.05 1.99 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 2.31 2.00 0.00 488 R 8.24 4.25 0.00 1.81 1.96 0.00 3.23 0.00 0.00 3.37 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.26 0.00 489 L 7.68 4.30 0.00 1.71 1.72 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 490 T 8.02 4.31 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 0.00 491 L 7.83 4.40 0.00 1.59 1.71 0.92 1.29 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 0.00 492 D 8.21 4.52 0.00 2.69 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 0.00 493 T 7.98 4.04 4.40 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 1.21 0.00 0.00 494 R 8.15 3.91 0.00 2.26 2.38 0.00 3.33 0.00 0.00 3.54 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.74 0.00 495 L 7.75 2.57 0.00 1.61 1.61 -0.28 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 496 R 8.15 3.69 0.00 1.90 1.99 0.00 3.10 0.00 0.00 3.04 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00 497 Q 8.00 3.86 0.00 2.13 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.55 0.00 0.00 0.00 0.00 0.00 2.32 2.33 0.00 498 A 7.80 3.97 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 499 L 7.37 3.58 0.00 1.72 1.53 0.79 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 500 E 7.69 3.90 0.00 2.06 1.93 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 2.27 2.29 0.00 501 R 7.68 4.36 0.00 1.74 1.88 0.00 3.34 0.00 0.00 3.31 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.70 0.00 502 N 7.30 3.88 0.00 2.84 2.86 0.00 0.00 6.82 7.54 0.00 0.00 0.00 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8.08 3.96 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 1.33 0.00 0.00 688 T 8.01 3.89 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 1.22 0.00 0.00 689 I 7.81 3.76 2.09 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.94 1.01 0.00 0.00 690 L 8.13 3.93 0.00 1.87 1.72 0.95 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 691 A 8.03 4.06 1.38 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 0.00 0.00 0.00 692 L 8.50 3.90 0.00 1.82 1.73 1.08 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 693 A 8.23 3.99 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 0.00 694 R 7.68 3.93 0.00 1.95 2.00 0.00 3.16 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.84 0.00 695 G 7.71 3.76 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 0.00 0.00 0.00 696 L 7.76 4.56 0.00 1.64 1.73 0.93 0.96 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 0.00 697 G 7.47 3.56 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *699 E 7.73 4.31 0.00 2.11 2.29 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 2.45 2.43 0.00 700 V 8.20 4.90 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 0.99 0.00 0.00 0.93 0.00 0.00 701 V 8.75 4.94 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 1.01 0.00 0.00 702 A 9.02 4.81 1.30 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 0.00 0.00 0.00 703 E 8.98 4.75 0.00 2.00 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 2.32 2.63 0.00 704 G 8.74 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 0.00 0.00 0.00 705 I 7.92 3.87 1.99 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 1.47 1.16 1.10 0.00 0.00 706 E 9.61 4.63 0.00 1.91 1.99 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 2.27 2.36 0.00 707 T 7.71 4.76 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 1.23 0.00 0.00 708 A 8.66 4.00 1.34 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 0.00 0.00 0.00 0.00 0.00 0.00 709 Q 8.04 3.96 0.00 2.17 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.85 0.00 0.00 0.00 0.00 0.00 2.48 2.50 0.00 710 Q 8.16 4.05 0.00 2.38 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.52 0.00 0.00 0.00 0.00 0.00 2.53 2.40 0.00 711 Y 8.25 4.03 0.00 3.27 3.12 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 0.00 0.00 0.00 0.00 712 A 8.44 4.17 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.44 4.00 0.00 3.30 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 0.00 714 L 8.15 3.99 0.00 1.85 1.66 1.01 0.79 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 0.00 715 R 7.87 3.74 0.00 1.87 2.07 0.00 3.17 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 716 D 8.26 4.36 0.00 2.54 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 0.00 717 R 7.42 4.31 0.00 1.55 1.74 0.00 2.21 0.00 0.00 2.88 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.35 0.00 718 G 7.73 3.79 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 0.00 0.00 0.00 719 C 7.88 4.14 0.00 2.90 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 0.00 720 E 8.79 3.72 0.00 1.87 1.12 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 0.00 1.47 1.91 0.00 721 F 8.02 5.53 0.00 3.18 2.88 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 0.00 722 G 9.28 4.64 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 0.00 0.00 0.00 723 Q 8.79 4.89 0.00 2.19 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.80 0.00 0.00 0.00 0.00 0.00 2.46 2.54 0.00 724 G 8.50 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 0.00 0.00 0.00 725 N 8.50 4.55 0.00 2.80 2.92 0.00 0.00 6.44 6.74 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 0.00 726 L 7.62 3.88 0.00 1.64 1.85 0.96 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 *728 S 7.79 4.18 0.00 3.92 3.86 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 0.00 729 T 8.26 4.58 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 1.31 0.00 0.00 730 P 0.00 4.70 0.00 2.07 2.12 0.00 3.68 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.19 0.00 731 Q 8.99 4.88 0.00 2.41 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.90 0.00 0.00 0.00 0.00 0.00 2.54 2.52 0.00 732 A 8.66 4.26 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 A 9.21 4.49 1.61 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 0.00 0.00 734 D 8.41 4.44 0.00 2.79 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 0.00 735 A 8.08 4.06 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 0.00 736 F 8.82 3.90 0.00 3.25 3.17 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 0.00 737 A 8.32 3.42 0.96 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 0.00 0.00 738 S 7.72 3.99 0.00 4.04 3.86 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 0.00 739 L 7.43 3.85 0.00 1.39 1.43 0.73 0.45 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 0.00 740 L 7.30 3.74 0.00 1.55 1.64 0.48 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 741 D 7.82 4.25 0.00 2.79 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 0.00 742 R 7.63 3.97 0.00 1.73 1.94 0.00 3.10 0.00 0.00 3.11 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.78 0.00 743 Q 7.79 4.03 0.00 2.03 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.79 0.00 0.00 0.00 0.00 0.00 2.30 2.32 0.00 744 K 7.75 3.85 0.00 1.75 1.92 0.00 1.83 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.44 7.81 745 A 7.61 4.10 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 0.00 746 S 7.63 4.35 0.00 3.95 3.78 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 * Residues marked with a * may have inaccurate shift predictions.