NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 487 E 4.3672 8.4449 116.7537 55.4190 31.7656 175.9647 488 R 4.0108 7.9883 118.7373 56.2380 30.8053 175.4937 489 L 4.2706 8.0552 121.0509 54.4344 43.6040 177.6531 490 T 4.0989 8.2323 112.4089 61.4443 70.7730 175.0770 491 L 4.0250 8.6851 124.3478 58.7275 41.9531 178.9763 492 D 4.2745 8.0858 117.1249 57.6898 41.2284 178.2410 493 T 3.8428 7.9336 116.0428 66.8668 68.5141 176.9654 494 R 4.0506 8.1880 119.8127 59.0621 30.1532 179.2344 495 L 3.1729 8.0960 119.3619 57.4542 41.6561 179.4635 496 R 3.8141 7.8843 117.9829 59.4507 30.0173 179.1750 497 Q 3.9524 8.0678 117.5742 58.5907 28.6756 178.4001 498 A 3.9725 7.6840 121.9367 55.0599 18.0785 179.6992 499 L 3.5723 7.3752 117.0843 57.8007 41.4673 179.3653 500 E 4.1262 7.9055 117.7614 58.0032 29.5823 177.3764 501 R 4.4256 7.2407 115.1203 54.9346 31.4750 175.2861 502 N 4.0386 7.3508 112.7643 54.5710 36.4011 174.3201 503 E 4.4689 8.2747 117.1100 57.1989 31.6749 178.5267 504 L 4.4788 7.2358 119.0075 54.5796 42.4602 176.5340 505 V 4.9093 8.8752 120.1952 60.4842 35.5028 173.5342 506 L 5.1506 8.7270 120.7614 53.4733 43.9774 175.8809 507 H 5.0646 9.2003 120.2681 54.5075 32.0688 173.3248 508 Y 5.0679 8.9916 117.5843 56.3689 41.2646 174.3676 509 Q 4.9263 9.0138 126.3228 53.8078 30.8408 173.0455 510 P 5.1120 0.0000 0.0000 63.4377 32.2848 175.5317 511 I 4.7059 8.9044 125.0538 59.7679 39.4874 174.7464 512 V 4.8905 9.1200 126.9095 60.9209 34.6348 174.1407 513 E 4.6368 9.4036 129.5155 55.8547 28.8827 176.6256 514 L 3.8310 9.0599 128.7138 57.2145 42.1433 180.0589 515 A 4.1475 8.1567 120.3137 54.3199 18.4428 178.0058 516 S 4.5574 7.4903 104.6255 57.2878 64.7953 175.4019 517 G 3.9886 8.6998 108.9272 45.5922 0.0000 173.1561 518 R 4.3814 7.5871 120.6603 55.7024 31.5221 175.5104 519 I 4.6159 8.8244 127.5971 61.2493 37.3595 176.1084 520 V 4.3410 8.9462 119.7810 61.3724 34.1190 175.4846 521 G 4.4304 7.4873 106.1904 47.2983 0.0000 172.1143 522 G 4.5972 8.4059 103.0359 45.5418 0.0000 172.2049 523 E 5.0533 9.0373 125.0624 54.1912 31.5195 174.8925 524 A 4.4028 8.9467 130.1150 51.8603 19.4992 176.6839 525 L 4.8087 8.9361 122.4245 52.7765 45.4201 176.5068 526 V 4.5849 8.5381 123.7088 61.5609 32.8877 175.4975 527 R 5.1256 9.2595 120.7641 54.5722 35.4148 173.7695 528 W 4.7120 9.1795 130.8564 55.8335 32.7367 174.4524 529 E 4.4130 9.1852 130.4069 55.3600 28.5115 173.6221 530 D 4.2989 8.4111 125.6892 51.7295 41.8328 175.1784 531 P 3.7497 0.0000 0.0000 65.5356 31.5649 177.4910 532 E 4.1660 8.2848 116.5874 57.9813 29.6399 177.6483 533 R 4.3699 7.5046 114.1828 54.6407 33.3617 176.1470 534 G 3.6683 8.6804 105.4964 44.2590 0.0000 173.2961 535 L 4.6100 8.1012 122.9817 54.5101 41.1479 177.3678 536 V 4.0500 8.3978 128.2249 60.8434 34.0077 174.0121 *538 P 3.1321 0.0000 0.0000 62.4903 32.7776 178.5868 539 S 4.1982 7.9922 111.9369 60.5178 62.7609 174.6654 540 A 4.5113 7.7729 121.6661 52.4644 19.2953 177.2968 541 F 5.0081 7.1340 107.7668 56.3973 40.9891 177.1518 542 I 3.6701 7.8028 122.8067 63.8191 36.5478 176.6005 543 P 4.2699 0.0000 0.0000 65.2930 31.1347 178.2195 544 A 4.1554 7.9813 119.2447 54.9615 18.4905 179.3645 545 A 3.9909 8.5635 119.6881 55.1396 18.1679 179.6856 546 E 4.0759 8.0547 119.1465 60.0105 29.5782 179.4126 547 D 4.5620 7.8126 120.5384 57.3822 40.0257 181.2051 548 T 4.6424 7.9362 106.4020 61.2588 70.0746 175.5627 549 G 3.9387 8.1410 110.2226 45.8554 0.0000 174.8862 550 L 4.0103 7.3857 120.5259 57.3119 41.9563 178.1924 551 I 3.6441 7.7790 119.1026 64.3486 37.7502 177.4616 552 V 3.4729 7.5923 118.4076 66.2368 31.4631 177.8096 553 A 4.0170 7.9533 119.7047 55.1202 18.2523 179.2430 554 L 3.9796 7.9313 118.7885 58.4352 42.1301 179.3768 555 S 4.2333 8.7453 115.5264 61.5315 62.7380 176.2611 556 D 4.3618 8.3065 121.7371 57.1646 40.6204 178.5485 557 W 4.0427 8.1409 128.4302 60.4652 30.6433 178.2055 558 V 3.3830 7.8820 117.8091 65.9054 31.0338 177.6247 559 L 3.8497 8.0502 119.0937 57.9499 41.4734 179.2211 560 E 3.7159 8.0257 118.3985 59.2701 29.5899 178.6698 561 A 3.5452 7.5925 121.0137 54.9320 18.1960 179.1734 562 C 3.9516 8.1333 117.4507 62.8541 31.7189 175.5973 563 C 4.0022 7.9810 118.2572 63.1619 27.7001 176.0685 564 T 3.7309 8.0041 117.6553 66.7704 67.9824 176.3351 565 Q 3.4301 7.5966 121.2029 58.6778 28.9480 177.7495 566 L 3.8540 7.4017 121.3437 58.1554 42.0967 179.1476 567 R 3.8524 7.9025 117.8358 58.9744 29.9408 178.9495 568 A 3.9093 7.6561 120.5355 55.0425 18.4073 179.6532 569 W 4.4825 7.8843 117.4563 60.0808 29.0917 178.7065 570 Q 4.0545 8.4815 118.1335 59.2361 27.9994 178.8967 571 Q 4.0223 7.9408 119.0741 59.1173 29.2152 177.5977 572 Q 4.2688 8.5624 117.5869 56.6573 28.9296 177.1236 573 G 3.9775 7.9480 108.3312 45.5268 0.0000 174.4325 574 R 4.1369 8.3108 118.7771 56.6703 30.8114 176.4334 575 A 4.4530 7.8522 120.6534 50.2588 20.2792 176.8312 576 A 4.2852 8.2964 125.7892 51.4455 19.3715 177.6529 577 D 4.3839 8.6861 119.1752 57.3040 41.1736 177.0739 578 D 4.5743 7.9230 115.5658 53.6586 40.1249 175.7131 579 L 4.5315 7.7981 124.2100 55.3804 42.5646 176.1728 580 T 4.8843 8.4399 116.4460 60.0681 72.3515 173.0034 581 L 5.2667 8.4462 119.9714 53.1968 46.0169 176.1061 582 S 5.9573 8.8621 117.5453 56.1935 66.2549 173.3133 583 V 4.6945 8.0113 121.3373 60.9735 34.7010 174.2141 584 N 4.9754 8.9851 125.5527 53.4523 39.1489 174.2616 585 I 4.4989 8.6611 125.2068 59.3221 39.5207 175.8447 586 S 4.4004 9.1241 122.1816 57.8208 63.2380 175.0379 587 T 4.3628 8.7024 116.8261 65.2096 68.3065 176.4323 588 R 4.0325 8.3227 120.3764 59.4430 30.0070 177.7123 589 Q 4.3156 8.0183 115.4858 56.8392 28.7221 177.4952 590 F 4.4546 8.1862 120.1259 57.8900 39.3108 175.4166 591 E 4.1669 7.5758 119.2205 57.6468 29.6533 177.0408 592 G 3.8900 9.1892 114.2439 46.4771 0.0000 172.9207 593 E 3.9153 8.5761 116.1016 56.8275 28.0840 176.9067 594 H 3.8738 7.9895 120.0708 59.1432 29.7435 175.9015 595 L 3.7641 7.7766 122.2275 58.6437 41.7268 179.0101 596 T 3.8192 7.3071 114.9016 66.9686 68.3709 176.7608 597 R 3.8482 7.8295 118.9447 59.1629 30.2230 178.8687 598 A 3.8883 8.0056 120.7551 54.8130 18.2101 180.0026 599 V 3.4457 7.9342 117.0158 66.1902 31.6086 177.7045 600 D 4.3425 8.0905 118.8057 57.6817 40.6829 179.1773 601 R 3.8328 8.1603 118.6824 59.3314 29.9050 178.4417 602 A 3.9160 7.8090 120.1541 55.0765 18.3802 179.6743 603 L 3.8907 8.1825 117.5776 57.8332 41.4641 179.6083 604 A 4.1005 8.1429 120.2862 55.1363 18.3588 179.6177 605 R 4.0157 8.1037 116.2366 58.4934 30.2162 178.3604 606 S 4.5054 7.7859 112.7266 57.7432 64.1018 175.5528 607 G 3.8652 8.4094 109.3124 44.8307 0.0000 173.1908 608 L 3.9956 7.2822 121.6518 54.6469 42.6761 177.0364 609 R 4.0973 8.4680 125.1532 55.2993 30.9346 175.8561 610 P 4.1680 0.0000 0.0000 65.7899 31.3764 177.7165 611 D 4.5308 8.0986 116.7167 56.2909 41.2450 176.6094 612 C 4.4574 8.3417 114.8509 59.4722 28.5291 172.1657 613 L 5.1599 7.8597 123.3641 53.0541 44.4751 174.6222 614 E 5.0311 9.0358 126.4596 54.3589 33.0999 174.1885 615 L 5.2832 9.1056 125.4335 53.0373 44.9710 175.0421 616 E 5.2641 9.1647 123.2855 54.8497 31.7764 175.1131 617 I 4.9935 8.7389 124.9460 59.3236 41.3481 175.2075 618 T 4.3557 8.5644 120.0332 62.0135 68.0832 174.3722 619 E 3.8684 8.7576 128.3175 59.7502 29.5758 178.1420 620 N 4.6739 8.0941 112.0931 54.1447 39.0331 176.7558 621 V 3.8026 7.6123 122.1924 61.1551 30.3483 177.8548 *623 L 4.3621 7.8210 119.6656 55.0868 43.7514 177.6783 624 V 4.2743 7.3336 111.6436 59.2851 34.1009 175.8027 *626 T 4.1212 8.1003 113.9312 61.2525 70.9738 174.5051 627 D 4.3214 8.4805 120.8387 57.8621 40.6945 179.0215 628 E 3.8794 8.1952 118.9301 59.6954 29.7395 179.3425 629 V 3.4331 7.1183 117.9566 65.9682 31.5522 178.2467 630 R 3.8811 8.4960 118.0428 59.2681 29.7137 179.2526 631 T 3.9355 8.2386 116.2578 66.5642 68.4259 176.6325 632 C 4.1691 7.9231 118.7183 62.8347 28.1978 176.2038 633 L 3.9454 7.8423 120.1792 57.9724 41.2496 179.3756 634 D 4.2666 8.0860 118.5626 57.1047 40.7428 178.5054 635 A 3.9882 8.1543 121.4223 55.3306 18.4457 179.7543 636 L 3.9564 8.4195 120.1123 58.6016 41.6412 180.4278 637 R 3.9561 8.1113 120.4123 61.6313 29.0376 180.4782 638 A 4.2355 7.8826 120.3761 55.0315 18.3916 179.7071 639 R 4.0476 7.6654 116.1248 58.4994 30.3136 177.7662 640 G 4.0323 7.7101 104.8076 44.8112 0.0000 173.0716 641 V 3.9960 7.4753 120.4859 62.6148 31.9995 176.1362 642 R 3.9427 8.3404 126.5752 56.0358 31.5830 175.6312 643 L 5.4137 8.5126 121.5596 53.0093 45.3387 175.2767 644 A 5.3645 9.4410 123.8342 50.2533 23.2943 174.8017 645 L 4.7077 8.7555 120.5738 53.8234 43.2200 175.8856 646 D 4.9479 9.4326 124.5377 53.4809 43.7995 175.9406 647 D 4.8070 8.2048 116.7735 54.7455 39.1319 173.7993 648 F 4.2672 8.5620 122.4041 59.8402 39.7427 176.0238 649 G 3.8961 8.5374 116.9961 45.4090 0.0000 174.2389 650 T 4.4388 7.6507 108.0840 61.8480 70.4806 176.0503 651 G 4.1471 7.5633 111.4645 45.4729 0.0000 172.6104 652 Y 4.6590 8.4044 120.6757 56.3948 42.0226 174.6884 653 S 4.7372 8.3948 118.0100 56.1370 67.2412 173.8166 654 S 4.6151 8.5189 117.4761 56.8502 64.0076 175.1275 655 L 4.0707 8.4850 129.5203 57.9056 41.5280 179.6390 656 S 4.1759 7.9691 113.7626 61.6262 62.2796 175.8119 657 Y 4.4557 8.0434 120.3871 61.1038 37.4879 178.4428 658 L 4.5354 8.0728 118.5566 58.4127 41.8885 179.5721 659 S 4.2849 8.2590 111.6234 60.6005 62.3570 175.2046 660 Q 4.4446 7.6288 118.9293 56.2584 30.2707 176.4570 661 L 4.2293 8.8169 119.8056 54.0481 42.3956 174.7547 662 P 4.5050 0.0000 0.0000 62.9490 31.7865 176.6702 663 F 4.6596 7.7893 118.7356 58.2848 39.0713 176.1819 664 H 4.4358 8.9938 124.1568 58.2272 28.9874 175.4521 665 G 4.4785 7.8039 104.9260 44.9292 0.0000 171.4166 666 L 5.4229 9.0034 119.3961 53.8017 44.7558 175.6201 667 K 5.0469 9.2672 119.4754 54.4707 34.9568 175.8988 668 I 4.3297 8.6669 127.6084 61.0962 38.0749 175.5072 669 D 4.7055 9.2012 127.7833 54.5172 41.9237 177.2556 670 Q 4.2862 9.2954 125.0598 58.9795 28.0602 179.4432 671 S 3.9968 8.0131 114.9582 60.7290 62.9112 176.1165 672 F 4.5875 7.4300 121.0327 60.0526 39.0328 178.1029 673 V 3.6787 7.7667 117.3796 66.0627 31.3084 177.7015 674 R 4.1642 7.7367 114.2948 57.6610 30.0318 177.1422 675 K 4.4274 7.8775 117.3565 55.8487 32.8954 175.7677 676 I 4.5142 7.2392 112.9641 58.3882 39.3568 174.0906 677 P 4.6024 0.0000 0.0000 62.6719 31.8269 176.8497 678 A 3.9895 8.0891 122.6461 55.5773 18.3459 177.4980 679 H 4.6556 8.4106 115.3922 54.0823 29.2494 174.7445 680 P 4.3107 0.0000 0.0000 65.2626 31.1424 178.6728 681 S 4.0484 8.0296 111.7829 61.6005 62.5305 175.9591 682 E 4.0782 8.2197 120.5846 59.5498 29.1865 179.5416 683 T 3.8307 7.7664 115.7629 66.5009 68.4507 176.5565 684 Q 3.9851 8.1501 121.5419 59.0949 29.0838 178.1737 685 I 3.5097 7.7655 120.8695 64.4889 37.0830 178.4778 686 V 3.6369 7.7216 118.8214 66.3296 31.3357 178.1717 687 T 3.9135 8.3086 115.6706 66.8885 68.2255 176.7262 688 T 3.8692 8.2657 117.9850 66.7824 68.5322 176.7606 689 I 3.7706 7.8424 121.5736 64.3756 37.1418 178.4136 690 L 3.9663 8.1820 119.7187 57.8545 41.3967 179.5564 691 A 3.9846 8.1324 120.6513 54.7586 18.2808 179.2598 692 L 3.8496 8.2775 119.0758 58.3770 41.9706 179.0758 693 A 3.8916 7.7089 119.0343 55.1839 18.7561 179.2117 694 R 4.0515 8.1458 117.2993 59.5596 29.9355 178.9012 695 G 3.6881 8.0860 104.4646 47.3244 0.0000 174.6437 696 L 4.6970 7.7510 118.1341 52.7581 42.6001 174.6142 697 G 3.5879 7.4879 112.7930 45.2452 0.0000 173.0337 *699 E 4.4333 7.9584 124.3383 56.0032 32.0813 174.7094 700 V 4.7931 8.2261 120.3747 61.2596 35.0602 174.0780 701 V 4.8058 8.8693 128.3117 61.2475 33.4372 174.4814 702 A 4.6480 8.8744 131.2215 51.6258 18.9590 176.1747 703 E 4.5687 9.0006 122.6051 56.7686 31.4574 177.6353 704 G 3.6883 8.8403 109.8633 46.3065 0.0000 173.5424 705 I 3.9231 7.8839 121.5761 61.2721 37.0107 176.5771 706 E 4.5841 9.3958 125.4505 56.4169 31.5569 176.8176 707 T 4.7615 7.6735 107.9633 58.7531 73.2750 174.3397 708 A 3.9923 8.5498 123.8434 55.5779 18.3528 179.9402 709 Q 3.9876 8.1096 117.4788 59.3560 29.2437 178.3735 710 Q 4.0289 8.0354 118.8158 59.1072 28.3322 177.9688 711 Y 4.0637 8.1216 120.2225 60.8935 38.8342 178.2141 712 A 4.1754 8.6919 121.9932 54.9827 18.3884 179.2811 713 F 4.0445 8.6380 119.5269 61.4828 39.4549 177.3767 714 L 4.0093 8.0818 118.3117 57.3536 41.6338 178.9978 715 R 3.7192 7.9823 118.7978 59.7189 29.8053 178.4181 716 D 4.3472 8.0047 116.3843 56.7216 40.9338 177.4338 717 R 4.1924 7.1788 116.2179 55.6795 29.9736 177.1567 718 G 3.7669 7.9511 105.4192 45.5968 0.0000 173.6819 719 C 4.1386 7.7213 120.5305 59.2884 32.0039 173.2974 720 E 3.8426 8.8037 127.0235 58.6627 30.2590 176.7230 721 F 5.4767 8.1721 116.6480 55.7172 43.2504 174.5984 722 G 4.6121 9.4300 107.6153 45.2520 0.0000 171.2609 723 Q 4.9447 8.5219 120.5385 53.6459 32.8333 174.0256 724 G 4.4025 8.7862 114.6953 46.0221 0.0000 171.8590 725 N 4.4854 8.8492 117.4563 56.3144 38.4985 176.5532 726 L 3.8822 7.8941 116.8923 56.6548 42.1098 176.3591 *728 S 4.1999 7.7832 111.3736 58.7019 63.0939 173.3082 729 T 4.3947 8.3407 117.4705 60.3864 69.9965 172.3006 730 P 4.6765 0.0000 0.0000 63.5905 32.0924 175.9851 731 Q 4.8388 9.0703 121.4561 53.6349 32.6535 175.3905 732 A 4.2132 8.5644 124.8076 51.9290 19.5985 178.1791 733 A 4.6274 9.2566 122.3731 56.0564 18.2341 180.2907 734 D 4.4442 8.3558 116.2552 57.5548 40.9199 178.7334 735 A 4.0020 8.0905 120.8475 54.9334 18.4246 179.2643 736 F 3.7852 8.7833 119.3258 61.3748 39.5632 176.9131 737 A 3.2900 8.4199 120.6650 55.4480 18.0408 179.8341 738 S 4.0295 8.2894 113.5175 61.4917 62.8763 176.9611 739 L 3.8051 7.3430 121.5334 57.7630 41.3479 179.5328 740 L 3.7845 7.3518 118.8045 57.6556 41.4869 179.3940 741 D 4.2479 7.8386 118.8825 57.1690 40.5390 178.6110 742 R 3.8172 7.7501 118.2651 59.6119 30.4021 178.3392 743 Q 4.0723 7.9003 117.1070 58.9633 28.3966 178.1479 744 K 3.9010 7.9029 120.7744 59.0815 32.2923 177.7974 745 A 4.1896 7.9761 120.2743 52.7949 18.4130 178.0922 746 S 4.0379 7.8643 120.1356 58.6414 62.7722 176.7651 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 487 E 8.44 4.37 0.00 2.01 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 2.13 1.91 0.00 488 R 7.99 4.01 0.00 1.88 1.90 0.00 3.33 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 489 L 8.06 4.27 0.00 1.67 1.61 0.94 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 490 T 8.23 4.10 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 1.22 0.00 0.00 491 L 8.69 4.03 0.00 1.86 1.80 1.25 1.26 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 0.00 492 D 8.09 4.27 0.00 2.82 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 0.00 493 T 7.93 3.84 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 1.21 0.00 0.00 494 R 8.19 4.05 0.00 2.13 2.35 0.00 3.17 0.00 0.00 3.28 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.95 0.00 495 L 8.10 3.17 0.00 1.68 1.38 0.89 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 496 R 7.88 3.81 0.00 1.94 1.91 0.00 3.08 0.00 0.00 3.12 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.80 0.00 497 Q 8.07 3.95 0.00 2.25 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.49 0.00 498 A 7.68 3.97 0.63 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 0.00 0.00 499 L 7.38 3.57 0.00 1.74 1.58 0.80 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 500 E 7.91 4.13 0.00 2.15 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 0.00 2.29 2.31 0.00 501 R 7.24 4.43 0.00 1.89 1.87 0.00 3.48 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.55 0.00 502 N 7.35 4.04 0.00 2.90 2.90 0.00 0.00 6.84 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 503 E 8.27 4.47 0.00 1.91 2.31 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 2.31 2.43 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0.00 672 F 7.43 4.59 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 0.00 673 V 7.77 3.68 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 1.14 0.00 0.00 1.09 0.00 0.00 674 R 7.74 4.16 0.00 1.85 2.12 0.00 3.14 0.00 0.00 3.21 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.84 0.00 675 K 7.88 4.43 0.00 1.89 1.71 0.00 1.69 0.00 0.00 1.75 0.00 0.00 2.81 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.05 1.24 7.81 676 I 7.24 4.51 1.32 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.20 0.92 0.00 0.00 677 P 0.00 4.60 0.00 2.12 1.83 0.00 3.32 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.89 0.00 678 A 8.09 3.99 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 0.00 679 H 8.41 4.66 0.00 3.38 3.42 0.00 5.82 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 680 P 0.00 4.31 0.00 2.16 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 689 I 7.84 3.77 1.92 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.06 0.93 0.00 0.00 690 L 8.18 3.97 0.00 1.83 1.69 0.92 0.60 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 0.00 691 A 8.13 3.98 1.37 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 0.00 0.00 0.00 692 L 8.28 3.85 0.00 1.78 1.88 0.96 1.28 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 0.00 693 A 7.71 3.89 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 0.00 694 R 8.15 4.05 0.00 1.87 2.05 0.00 3.08 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 1.61 1.63 0.00 695 G 8.09 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.75 4.70 0.00 1.65 1.72 0.95 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 697 G 7.49 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.96 4.43 0.00 2.09 2.21 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 2.66 2.44 0.00 700 V 8.23 4.79 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 1.00 0.00 0.00 0.90 0.00 0.00 701 V 8.87 4.81 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 0.97 0.00 0.00 0.98 0.00 0.00 702 A 8.87 4.65 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 0.00 703 E 9.00 4.57 0.00 2.19 1.91 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 2.36 2.33 0.00 704 G 8.84 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.88 3.92 2.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.80 1.09 0.00 0.00 706 E 9.40 4.58 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 2.27 2.43 0.00 707 T 7.67 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 8.55 3.99 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 0.00 709 Q 8.11 3.99 0.00 2.17 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.86 0.00 0.00 0.00 0.00 0.00 2.47 2.53 0.00 710 Q 8.04 4.03 0.00 2.41 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.56 0.00 0.00 0.00 0.00 0.00 2.42 2.39 0.00 711 Y 8.12 4.06 0.00 3.14 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 0.00 712 A 8.69 4.18 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.64 4.04 0.00 3.29 3.30 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 0.00 714 L 8.08 4.01 0.00 1.74 1.67 1.02 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 715 R 7.98 3.72 0.00 1.85 1.93 0.00 3.15 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 716 D 8.00 4.35 0.00 2.65 2.62 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 0.00 0.00 0.00 0.00 717 R 7.18 4.19 0.00 1.72 1.74 0.00 2.21 0.00 0.00 2.64 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.20 0.00 718 G 7.95 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 0.00 0.00 0.00 719 C 7.72 4.14 0.00 2.92 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 0.00 720 E 8.80 3.84 0.00 1.60 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 2.01 2.08 0.00 721 F 8.17 5.48 0.00 3.15 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 9.43 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 0.00 0.00 0.00 0.00 723 Q 8.52 4.94 0.00 2.21 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.93 0.00 0.00 0.00 0.00 0.00 2.33 2.41 0.00 724 G 8.79 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 0.00 0.00 0.00 0.00 725 N 8.85 4.49 0.00 2.75 2.95 0.00 0.00 6.83 7.85 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 0.00 726 L 7.89 3.88 0.00 1.59 1.81 0.97 0.85 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 *728 S 7.78 4.20 0.00 3.93 3.87 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 0.00 729 T 8.34 4.39 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 1.29 0.00 0.00 730 P 0.00 4.68 0.00 2.06 2.13 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 2.09 2.20 0.00 731 Q 9.07 4.84 0.00 2.27 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.93 0.00 0.00 0.00 0.00 0.00 2.62 2.55 0.00 732 A 8.56 4.21 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 0.00 733 A 9.26 4.63 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.36 4.44 0.00 2.88 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 8.09 4.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 736 F 8.78 3.79 0.00 3.29 3.20 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 0.00 0.00 0.00 737 A 8.42 3.29 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 0.00 738 S 8.29 4.03 0.00 3.96 3.87 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 0.00 739 L 7.34 3.81 0.00 1.34 1.36 0.74 0.95 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 7.35 3.78 0.00 1.51 1.60 0.44 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 741 D 7.84 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 7.75 3.82 0.00 1.88 1.89 0.00 3.27 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 743 Q 7.90 4.07 0.00 2.30 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.57 0.00 0.00 0.00 0.00 0.00 2.40 2.31 0.00 744 K 7.90 3.90 0.00 1.83 2.02 0.00 1.76 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.43 1.43 7.81 745 A 7.98 4.19 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 0.00 746 S 7.86 4.04 0.00 3.72 3.72 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 * Residues marked with a * may have inaccurate shift predictions.