NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 564 F 4.3667 8.3249 122.8320 57.9019 40.4965 174.2111 565 I 4.2042 7.4327 128.1314 59.2322 38.5887 173.6399 566 L 4.6173 8.3330 127.0140 56.4708 43.4986 179.3071 567 S 4.2499 8.1576 113.4595 61.0807 62.8928 176.3397 568 Q 3.9239 7.7527 117.7172 58.1430 28.3530 176.6654 569 F 4.6702 7.4443 115.2836 57.3852 39.6276 175.7539 570 N 4.7517 8.0143 121.1484 52.2601 39.1956 175.0962 571 R 3.9929 8.6056 128.5536 59.5345 29.8265 178.7227 572 D 4.3994 8.2339 118.6076 57.2129 40.9037 178.7144 573 V 3.7004 7.9709 118.3249 66.2994 31.5378 176.9604 574 Y 4.1044 8.0377 119.0167 60.8435 38.6395 178.1473 575 K 3.8407 8.0615 119.2096 60.1546 32.2825 178.8748 576 W 4.3414 7.7366 119.4033 59.4569 29.0367 178.3822 577 N 4.4078 8.1123 116.2406 55.9786 37.8251 177.1929 578 F 3.7901 8.4502 122.5373 61.3404 39.4311 177.1849 579 L 4.0143 8.0429 118.4882 57.8570 41.3619 179.2945 580 D 4.3697 8.0506 118.9195 57.2988 40.7134 179.0102 581 K 3.8785 7.8845 118.8706 59.2535 31.8001 179.3654 582 V 3.3733 7.3932 117.5801 66.1557 31.4492 177.4791 583 I 3.1826 7.3283 117.9033 64.7491 37.1337 177.6607 584 D 4.4168 8.0577 119.0599 57.3282 40.6121 179.2597 585 I 3.7931 7.8510 116.5304 62.7954 36.7485 177.7893 *587 T 4.0506 7.8026 118.7845 63.9419 70.4460 176.4250 588 T 3.8538 8.0005 118.1647 66.8293 68.3849 176.4482 589 N 4.4632 8.6247 118.7539 56.2053 38.5770 177.2776 590 F 3.8355 8.0216 121.6799 61.0566 39.5640 177.2895 591 V 3.6497 8.1261 118.0630 66.1875 31.3697 178.1637 592 S 4.2153 8.5915 115.2028 61.7656 62.7125 176.4124 593 N 4.3167 8.3016 119.1339 56.5934 38.2042 177.4257 594 T 3.7583 7.7095 116.7461 66.8215 68.6242 176.6412 595 I 3.7490 7.9511 121.4310 64.6290 36.9599 178.8043 596 R 4.6695 8.2189 119.3301 58.4597 29.8616 178.7986 597 L 4.1704 7.7374 119.5684 58.2491 42.3769 178.6260 598 L 4.4455 8.0103 116.8209 55.2979 42.3126 177.5471 599 Q 4.3634 8.1994 118.6254 54.8690 29.3859 174.1781 600 P 4.5772 0.0000 0.0000 62.9897 32.0241 175.8530 601 V 4.3380 8.4748 120.3069 60.6507 32.0596 174.0210 602 P 4.0267 0.0000 0.0000 61.6552 31.9325 174.3764 603 P 4.0596 0.0000 0.0000 62.2483 32.2833 175.5695 604 F 4.4492 7.5465 119.3587 56.2329 39.6913 175.4069 605 S 4.1226 7.3911 118.5707 57.6659 64.2758 176.8537 606 L 4.1207 8.6595 121.9715 57.6877 41.9982 176.5909 607 A 4.4096 7.4641 119.4356 52.0662 20.5399 176.2070 608 G 4.0487 8.6136 102.3840 46.3276 0.0000 172.6213 609 S 4.5496 7.6576 112.6171 57.3896 66.8338 175.3004 610 K 4.0971 8.6169 121.2895 56.6227 32.1539 177.0862 611 R 4.1086 8.1912 118.8822 55.8615 30.5346 177.1033 612 K 3.7282 8.6975 122.8152 58.8230 32.2267 176.9064 613 F 5.0697 7.4973 114.4467 54.7531 42.8109 174.9834 614 E 4.2817 8.6591 123.2511 56.0929 31.4163 178.3286 615 T 3.9516 8.3958 112.2194 65.2419 68.7204 176.5966 616 R 3.8533 7.9853 120.2465 59.5456 30.1051 178.9984 617 T 3.8690 7.7894 114.8637 66.2935 68.5277 176.8540 618 V 3.2807 7.6333 120.2880 65.8202 31.5421 177.9917 619 V 3.4531 7.7707 117.9891 66.2695 31.2872 177.6070 620 N 4.2522 7.9189 115.7427 56.3877 38.2988 177.3096 621 I 3.6085 8.0959 121.4720 64.3505 37.2990 178.3932 622 G 3.6374 8.3436 106.7212 48.0309 0.0000 175.1305 623 E 3.9039 7.8282 120.4210 58.9843 29.9104 178.4102 624 Q 4.0494 7.9508 119.6322 59.1852 29.0638 178.1577 625 L 4.0838 8.1377 120.0952 57.6721 41.5507 179.4151 626 L 3.7505 7.8323 118.8896 57.8294 41.4987 179.5396 627 L 4.0293 7.8730 118.9352 57.5444 41.4597 179.2223 628 D 4.3257 7.9468 118.4609 57.4398 40.8619 178.2991 629 L 3.5887 8.7623 121.7705 57.9156 41.9063 178.6865 630 E 3.7938 7.9856 119.2029 59.3542 29.6842 178.7990 631 L 3.9461 7.8250 118.9719 57.6088 41.5071 179.4012 632 L 3.6305 7.8995 120.5292 57.6963 41.9911 178.6967 633 K 3.4803 7.8780 119.8661 59.6618 31.8387 178.4716 634 E 3.9802 7.7181 117.1542 59.3408 29.7042 179.0751 635 I 3.8847 7.7148 119.7623 64.5657 37.1017 178.3191 636 F 4.5136 8.2559 118.7228 61.2685 38.5537 177.5497 637 H 4.5160 8.2804 114.2387 58.7881 28.7237 177.4888 638 T 4.2405 7.9697 117.6217 65.7125 68.3022 176.6667 639 L 4.0144 7.6675 121.5439 57.7449 41.7542 177.5281 640 P 4.3519 0.0000 0.0000 66.1290 31.1281 178.2845 641 E 4.1169 8.0023 115.3888 58.8964 29.3805 179.0348 642 S 4.3478 8.8046 114.5237 60.0162 63.3032 175.2274 643 V 4.1085 7.3104 114.0551 60.7029 31.6782 175.2419 644 S 4.6808 7.7567 116.0523 56.9573 65.3462 173.3550 645 N 4.5648 8.8986 122.3786 54.3546 39.5177 174.9973 646 D 4.7555 7.9781 118.3040 53.1353 41.4523 176.0705 647 S 4.7431 8.4695 119.2363 58.0390 63.6281 175.5229 648 D 4.6415 7.8867 121.5005 53.7281 37.3538 176.3401 649 L 4.6407 7.2509 129.8479 54.2633 41.9134 178.0374 650 R 4.1012 7.7778 119.1003 58.9441 30.7060 177.5843 651 E 4.4439 7.7439 116.6297 55.4307 31.9362 174.7053 652 N 4.7197 8.4184 116.2108 52.7274 40.0930 176.2729 653 T 3.7779 8.5082 111.9988 64.8364 69.0290 176.2020 654 S 4.0770 7.8009 116.8867 60.8472 63.4907 175.3571 655 Y 3.1844 6.9643 122.6506 60.0744 38.4182 178.1180 656 K 3.2640 7.9556 119.3549 59.2768 32.1439 178.8728 657 R 3.7382 7.2145 117.4706 59.5920 29.8169 178.4480 658 V 3.4962 7.5245 117.4559 65.9277 31.5274 177.5218 659 K 3.7029 7.9137 119.6145 59.9459 31.8497 178.8298 660 R 3.8690 8.4214 118.1887 59.2246 29.8348 178.6445 661 H 4.2213 8.1326 118.1357 59.0326 29.8084 177.1573 662 A 3.7205 8.0035 122.5547 55.3517 18.3064 179.1699 663 D 4.3267 8.2956 117.5643 57.5390 41.0086 178.7161 664 N 4.2952 8.5686 117.6940 56.8836 38.9897 176.5727 665 N 4.3405 8.2956 117.8062 56.3585 38.6450 177.2652 666 I 3.4941 7.9436 121.2286 64.5589 37.1790 177.8345 667 D 4.3674 8.0743 119.4320 57.6998 40.7200 179.2531 668 Q 3.9658 7.9003 117.5719 58.9549 28.7800 178.5864 669 L 3.8695 7.8225 120.0520 57.8294 41.6555 179.2958 670 L 3.8474 8.2280 120.1964 58.2299 41.9040 179.2065 671 K 3.9886 8.4015 118.5967 59.3637 31.9877 178.8874 672 F 4.5356 8.7276 121.2175 61.6645 39.0444 177.2709 673 I 3.3140 8.0338 117.9374 64.3003 36.9972 178.0450 674 K 3.9409 8.1897 118.3620 59.5326 31.9038 178.8155 675 L 4.1755 7.9120 119.8091 57.8487 42.3018 180.6436 676 L 3.8948 7.4342 118.9938 53.3086 42.2762 176.9988 *678 A 4.1328 7.5827 120.2031 51.2135 19.7642 175.8154 679 P 4.5108 0.0000 0.0000 62.6917 32.4942 176.0995 680 L 4.6266 7.8985 117.2755 54.4427 42.1969 177.7794 681 D 4.5512 8.1718 120.0883 56.1693 41.8874 178.3133 682 S 4.7609 7.7270 112.9570 55.7779 66.8210 174.7821 683 A 4.2229 8.7459 126.5567 55.2808 18.1624 179.8046 684 D 4.4017 8.0907 117.1086 57.8371 41.0689 178.5041 685 D 4.4738 8.3278 119.3642 57.4870 40.7084 178.3108 686 Y 4.2983 8.2488 120.3059 60.6516 38.7162 177.1803 687 Y 4.0823 8.0990 120.3103 60.8130 39.0948 177.6084 688 E 3.7079 8.2829 119.7309 59.8919 29.5980 179.6365 689 T 3.9490 7.6383 109.0734 64.3344 69.1849 176.3395 690 Y 3.6013 7.9560 123.0471 60.4949 38.7920 178.3645 691 S 4.1307 8.0200 115.5384 60.9954 63.0521 176.2516 692 K 3.7823 7.6467 122.8857 59.3543 31.8184 178.4994 693 L 4.3298 7.9746 117.1217 55.9808 41.7216 177.6412 694 T 4.0679 6.9461 107.2058 60.1783 69.3317 173.9184 695 N 4.0375 8.1416 116.0741 55.3947 36.3300 173.5610 696 N 4.1710 8.4567 106.6854 53.9286 37.2311 175.1048 697 N 4.4242 7.7747 116.2443 53.7103 38.9612 172.7477 698 P 4.7358 0.0000 0.0000 62.7416 32.3147 176.0255 699 D 4.7039 8.5796 120.6917 53.9509 41.8016 177.0738 700 S 4.5123 9.1121 122.1654 61.3938 63.2562 176.3420 701 A 4.2262 8.2949 124.0330 55.0082 18.1984 179.5132 702 V 3.8256 8.8665 117.2375 66.1712 31.7149 177.8486 703 W 4.7011 8.4500 129.1443 60.2286 30.3330 178.0901 704 S 4.5192 8.6745 114.9598 61.4281 62.4509 176.4293 705 F 3.5720 8.8056 123.6974 61.0356 39.0394 177.0297 706 V 3.7309 8.4542 118.3842 66.2950 31.0190 177.5433 707 L 3.5115 7.7359 119.4128 58.0068 41.6355 178.8506 708 A 3.8419 8.2247 120.7405 55.2057 18.1451 179.5850 709 L 3.8605 8.1107 116.5865 57.8261 41.7387 179.6489 710 K 3.9403 7.9210 117.9012 57.7474 31.9876 177.8900 711 G 3.9782 8.0042 106.0325 44.5659 0.0000 173.8362 712 I 3.4555 6.6010 119.9622 60.6239 38.2141 173.8069 713 P 4.4040 0.0000 0.0000 61.7297 32.9565 176.6441 714 W 4.7048 8.2838 118.3238 56.2024 27.4651 178.1673 715 D 4.9907 8.1750 118.5857 52.5468 41.9826 174.8168 716 L 3.1296 8.7719 129.4835 57.9940 41.8981 178.4261 717 A 3.9226 8.0477 119.9409 55.1866 18.1599 179.2589 718 L 3.9939 7.5393 117.3115 57.9134 42.2358 178.8235 719 W 4.3329 8.5823 118.4944 59.9321 29.3071 178.3746 720 K 4.5303 8.3421 118.6020 59.1817 31.1800 179.1934 721 K 4.2115 7.7030 115.1658 57.7439 32.0109 176.8458 *723 W 4.7558 7.8806 129.2930 57.4348 32.6966 176.9709 724 S 3.8910 8.6815 112.4607 61.4031 61.4546 176.1799 725 A 3.8076 7.8420 121.4754 55.1306 18.2289 178.4473 726 Y 3.7096 7.6753 117.4516 60.6537 38.8206 177.4187 727 N 3.3888 7.3438 118.0281 56.5062 38.7086 176.2551 728 L 3.7903 7.2774 120.3600 57.7982 42.0576 177.9177 729 E 4.1960 7.0072 115.1177 56.5910 30.2439 174.9612 730 T 4.4083 7.2857 109.0935 59.5537 71.6980 172.4999 *742 N 4.6725 8.6304 117.5816 53.7053 40.4773 175.3238 743 R 3.9203 7.9869 118.1323 56.3646 30.4450 174.6934 744 D 4.7337 8.7322 125.3115 53.3377 42.0448 175.5317 745 L 4.7072 8.6556 125.4405 53.7675 43.1980 177.1144 746 F 3.7823 8.5894 121.8803 58.9741 39.2921 177.1285 747 I 3.3167 5.9830 114.6471 63.1533 37.8700 177.2394 748 F 4.6773 7.7114 117.7610 58.1536 38.5311 176.8183 749 K 3.7775 7.8102 120.4887 58.8770 31.8741 177.6463 750 W 4.8349 7.7019 116.6570 56.7705 30.9825 176.6724 751 D 4.9260 8.0538 118.1196 51.7010 42.2527 175.1114 752 K 4.1137 8.4354 123.5240 59.2249 32.5194 178.4432 753 V 3.6206 7.8939 117.7646 66.2327 31.3803 177.7819 754 L 4.1251 7.9699 118.2605 57.7849 41.4428 179.3861 755 L 3.5852 7.8637 118.8783 57.9105 42.0620 178.9268 756 G 3.7158 8.3038 105.9015 48.1365 0.0000 175.2165 757 Q 3.9677 8.6134 121.4085 58.4565 28.8096 178.8677 758 F 4.1064 8.2115 121.6379 61.5222 38.9687 176.8233 759 E 3.7013 8.1385 116.6826 59.5419 29.6709 178.7480 760 N 4.3429 8.0301 116.0817 56.6704 38.5442 177.1369 761 N 3.9863 8.0819 117.6848 56.1797 38.2498 177.2580 762 L 3.7743 7.2903 120.6657 57.7391 42.1931 178.4215 763 A 4.3143 7.4129 118.9426 52.8701 18.5675 177.4853 764 R 3.9434 6.9501 116.5805 55.4981 29.6972 176.0810 *766 Q 4.2533 8.5392 122.4271 55.5583 30.8880 176.7144 767 D 4.3946 7.9241 117.3985 53.9707 42.0556 174.9262 768 P 4.3598 0.0000 0.0000 66.1961 31.1379 178.3088 769 N 4.2698 8.1060 115.4504 55.8757 38.6100 176.9535 770 W 4.0054 7.8012 119.5844 59.9520 29.3068 178.1315 771 S 4.1153 8.6523 113.2666 61.7418 61.7549 176.4196 772 K 3.9734 8.3567 122.2215 59.3054 31.8973 178.5328 773 F 4.0929 8.6841 121.4738 61.1137 38.6312 177.2490 774 V 3.3119 8.3122 118.1812 66.2580 31.2112 178.3384 775 R 4.3400 7.6969 116.1734 58.5712 29.9921 178.2380 776 Q 4.2888 7.8231 116.3563 57.5773 29.6444 176.8657 777 D 4.3763 7.5697 118.0049 56.5586 41.4027 177.3813 778 L 3.5819 6.9315 117.2099 56.5780 42.3887 176.8835 779 K 4.1453 9.0018 121.5734 56.5382 32.4790 176.4037 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 564 F 8.32 4.37 0.00 3.06 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 0.00 565 I 7.43 4.20 1.65 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.81 0.82 0.00 0.00 566 L 8.33 4.62 0.00 1.85 1.91 1.07 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 567 S 8.16 4.25 0.00 4.03 4.17 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 0.00 568 Q 7.75 3.92 0.00 1.83 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.99 0.00 0.00 0.00 0.00 0.00 1.67 1.16 0.00 569 F 7.44 4.67 0.00 3.10 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 0.00 570 N 8.01 4.75 0.00 2.86 2.93 0.00 0.00 7.16 7.09 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 0.00 571 R 8.61 3.99 0.00 1.91 1.98 0.00 3.17 0.00 0.00 3.31 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.75 0.00 572 D 8.23 4.40 0.00 2.93 2.90 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 0.00 573 V 7.97 3.70 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 1.14 0.00 0.00 1.03 0.00 0.00 574 Y 8.04 4.10 0.00 3.26 3.15 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 0.00 0.00 0.00 0.00 575 K 8.06 3.84 0.00 1.74 1.94 0.00 1.00 0.00 0.00 1.49 0.00 0.00 3.09 0.00 0.00 2.57 0.00 0.00 0.00 0.00 1.45 0.67 7.81 576 W 7.74 4.34 0.00 3.58 3.27 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 0.00 577 N 8.11 4.41 0.00 2.75 2.80 0.00 0.00 6.60 8.90 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 0.00 578 F 8.45 3.79 0.00 2.72 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 0.00 579 L 8.04 4.01 0.00 1.99 1.76 0.91 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 580 D 8.05 4.37 0.00 2.84 2.72 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 0.00 581 K 7.88 3.88 0.00 1.52 1.65 0.00 1.65 0.00 0.00 1.54 0.00 0.00 2.86 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.52 1.44 7.81 582 V 7.39 3.37 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 0.80 0.00 0.00 0.63 0.00 0.00 583 I 7.33 3.18 1.70 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.08 0.24 0.22 0.00 0.00 584 D 8.06 4.42 0.00 2.80 2.96 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 0.00 585 I 7.85 3.79 1.97 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.58 0.90 0.00 0.00 *587 T 7.80 4.05 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.14 0.00 0.00 588 T 8.00 3.85 4.45 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 589 N 8.62 4.46 0.00 2.71 2.87 0.00 0.00 6.71 7.99 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 0.00 590 F 8.02 3.84 0.00 3.11 3.03 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 0.00 0.00 0.00 591 V 8.13 3.65 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 0.96 0.00 0.00 0.80 0.00 0.00 592 S 8.59 4.22 0.00 3.96 3.96 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 0.00 593 N 8.30 4.32 0.00 2.77 2.75 0.00 0.00 7.07 6.60 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 0.00 594 T 7.71 3.76 4.55 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 0.00 0.00 0.00 1.20 0.00 0.00 595 I 7.95 3.75 2.01 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.77 1.04 0.00 0.00 596 R 8.22 4.67 0.00 1.81 2.07 0.00 3.18 0.00 0.00 3.06 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.75 0.00 597 L 7.74 4.17 0.00 1.74 2.00 1.05 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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2.04 1.87 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 2.41 2.39 0.00 615 T 8.40 3.95 4.14 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 1.15 0.00 0.00 616 R 7.99 3.85 0.00 1.85 2.00 0.00 3.11 0.00 0.00 3.32 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.70 0.00 617 T 7.79 3.87 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 1.15 0.00 0.00 618 V 7.63 3.28 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 0.88 0.00 0.00 0.96 0.00 0.00 619 V 7.77 3.45 2.17 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 0.92 0.00 0.00 0.88 0.00 0.00 620 N 7.92 4.25 0.00 2.85 2.78 0.00 0.00 7.10 7.43 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 0.00 621 I 8.10 3.61 1.77 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.43 0.69 0.00 0.00 622 G 8.34 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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1.59 7.81 672 F 8.73 4.54 0.00 2.71 3.22 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 0.00 673 I 8.03 3.31 1.92 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.72 0.84 0.00 0.00 674 K 8.19 3.94 0.00 1.89 1.88 0.00 1.69 0.00 0.00 1.61 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.56 7.81 675 L 7.91 4.18 0.00 1.81 2.00 0.91 1.23 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 0.00 676 L 7.43 3.89 0.00 1.50 1.46 0.22 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 *678 A 7.58 4.13 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 0.00 679 P 0.00 4.51 0.00 2.30 2.04 0.00 3.76 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 2.01 1.99 0.00 680 L 7.90 4.63 0.00 1.45 1.45 0.60 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 681 D 8.17 4.55 0.00 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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 0.00 690 Y 7.96 3.60 0.00 2.43 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 0.00 691 S 8.02 4.13 0.00 4.08 3.62 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 0.00 692 K 7.65 3.78 0.00 1.92 1.90 0.00 1.59 0.00 0.00 1.60 0.00 0.00 2.89 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.38 1.43 7.81 693 L 7.97 4.33 0.00 1.45 1.67 0.91 0.74 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 0.00 694 T 6.95 4.07 3.70 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 -0.33 0.00 0.00 695 N 8.14 4.04 0.00 2.92 2.90 0.00 0.00 6.93 7.88 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 0.00 696 N 8.46 4.17 0.00 2.82 2.93 0.00 0.00 6.77 7.62 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 0.00 697 N 7.77 4.42 0.00 2.93 2.93 0.00 0.00 7.07 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 698 P 0.00 4.74 0.00 2.18 2.12 0.00 3.91 0.00 0.00 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.16 0.00 699 D 8.58 4.70 0.00 2.90 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 0.00 700 S 9.11 4.51 0.00 4.20 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 0.00 701 A 8.29 4.23 1.54 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 0.00 0.00 0.00 0.00 0.00 0.00 702 V 8.87 3.83 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 1.59 0.00 0.00 1.36 0.00 0.00 703 W 8.45 4.70 0.00 3.45 3.48 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 0.00 704 S 8.67 4.52 0.00 4.73 4.71 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 0.00 705 F 8.81 3.57 0.00 2.78 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 706 V 8.45 3.73 2.47 0.00 0.00 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 1.48 0.00 0.00 707 L 7.74 3.51 0.00 0.87 1.02 0.24 -0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 708 A 8.22 3.84 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.11 3.86 0.00 1.66 1.67 0.46 0.78 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 0.00 710 K 7.92 3.94 0.00 1.67 1.66 0.00 1.46 0.00 0.00 1.34 0.00 0.00 3.32 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.50 7.81 711 G 8.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 712 I 6.60 3.46 1.47 0.00 0.00 0.08 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 0.60 0.48 0.00 0.00 713 P 0.00 4.40 0.00 2.29 2.06 0.00 3.76 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.00 0.00 714 W 8.28 4.70 0.00 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0.00 0.00 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 8.68 3.89 0.00 4.05 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 0.00 725 A 7.84 3.81 1.41 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 0.00 0.00 0.00 0.00 0.00 0.00 726 Y 7.68 3.71 0.00 2.81 2.18 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 0.00 0.00 0.00 0.00 727 N 7.34 3.39 0.00 1.44 2.01 0.00 0.00 6.92 7.22 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 0.00 728 L 7.28 3.79 0.00 1.51 1.66 0.82 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 729 E 7.01 4.20 0.00 1.16 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 1.82 1.51 0.00 730 T 7.29 4.41 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 0.80 0.00 0.00 *742 N 8.63 4.67 0.00 2.73 2.95 0.00 0.00 6.80 7.65 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 0.00 743 R 7.99 3.92 0.00 1.86 1.89 0.00 3.34 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.71 0.00 744 D 8.73 4.73 0.00 2.74 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 745 L 8.66 4.71 0.00 1.86 1.92 0.99 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 746 F 8.59 3.78 0.00 3.19 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 0.00 747 I 5.98 3.32 0.56 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.28 0.33 -1.15 0.00 0.00 748 F 7.71 4.68 0.00 3.43 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 0.00 749 K 7.81 3.78 0.00 1.51 1.24 0.00 1.41 0.00 0.00 0.89 0.00 0.00 2.13 0.00 0.00 2.46 0.00 0.00 0.00 0.00 0.30 1.01 7.81 750 W 7.70 4.83 0.00 3.37 3.19 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 0.00 0.00 0.00 0.00 751 D 8.05 4.93 0.00 2.82 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 0.00 752 K 8.44 4.11 0.00 1.89 1.91 0.00 1.74 0.00 0.00 1.76 0.00 0.00 2.88 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.59 1.64 7.81 753 V 7.89 3.62 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 1.11 0.00 0.00 0.98 0.00 0.00 754 L 7.97 4.13 0.00 2.02 2.07 1.14 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 755 L 7.86 3.59 0.00 1.69 1.90 0.73 1.09 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 0.00 756 G 8.30 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 0.00 0.00 0.00 757 Q 8.61 3.97 0.00 2.25 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.67 0.00 0.00 0.00 0.00 0.00 2.39 2.52 0.00 758 F 8.21 4.11 0.00 2.15 2.54 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 0.00 0.00 0.00 0.00 759 E 8.14 3.70 0.00 2.09 1.95 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 2.38 2.53 0.00 760 N 8.03 4.34 0.00 2.80 2.77 0.00 0.00 7.11 6.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 761 N 8.08 3.99 0.00 2.48 1.76 0.00 0.00 6.74 7.42 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 0.00 762 L 7.29 3.77 0.00 1.33 1.53 0.61 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 763 A 7.41 4.31 1.25 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 0.00 0.00 764 R 6.95 3.94 0.00 1.69 1.74 0.00 3.00 0.00 0.00 3.07 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.68 0.00 *766 Q 8.54 4.25 0.00 1.99 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.89 0.00 0.00 0.00 0.00 0.00 2.19 2.25 0.00 767 D 7.92 4.39 0.00 2.85 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 0.00 768 P 0.00 4.36 0.00 2.31 2.31 0.00 3.78 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.08 0.00 769 N 8.11 4.27 0.00 2.87 2.74 0.00 0.00 7.14 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 770 W 7.80 4.01 0.00 3.66 3.18 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 0.00 0.00 0.00 0.00 771 S 8.65 4.12 0.00 4.00 4.09 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 0.00 772 K 8.36 3.97 0.00 2.00 1.94 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.44 7.81 773 F 8.68 4.09 0.00 2.84 3.05 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 0.00 0.00 0.00 774 V 8.31 3.31 2.24 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 0.91 0.00 0.00 1.21 0.00 0.00 775 R 7.70 4.34 0.00 1.82 1.93 0.00 3.17 0.00 0.00 3.19 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.74 0.00 776 Q 7.82 4.29 0.00 2.16 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.93 0.00 0.00 0.00 0.00 0.00 2.30 2.35 0.00 777 D 7.57 4.38 0.00 2.07 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 778 L 6.93 3.58 0.00 1.48 1.43 0.94 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 779 K 9.00 4.15 0.00 1.82 2.10 0.00 1.75 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.24 7.81 * Residues marked with a * may have inaccurate shift predictions.