NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 552 I 4.1461 8.0093 121.4509 61.3512 38.4209 174.3858 553 S 4.5431 8.2369 119.2834 56.1923 66.3201 172.7759 554 S 4.6016 8.6522 114.2721 56.7821 61.3681 173.0883 555 E 4.7342 7.5174 121.7604 54.3182 34.1110 175.1825 556 T 4.1018 8.4532 116.9470 63.8074 68.7586 174.7959 557 G 4.0480 7.8613 114.5694 45.1773 0.0000 171.3863 558 E 4.9843 8.8241 116.7825 54.6919 32.5198 175.4500 559 M 4.8198 9.2005 121.1428 55.0000 33.9312 175.6309 560 G 4.3411 9.0095 108.2129 44.6049 0.0000 171.4752 561 I 4.4115 8.4334 123.5885 60.1371 38.7074 174.4956 562 L 5.1036 8.7335 129.9534 53.1109 44.4832 174.8448 563 W 5.5210 9.6748 126.4834 55.0560 32.1491 173.9818 564 E 5.3709 10.0016 126.5182 54.4884 31.8243 174.1583 565 F 4.2557 8.7653 129.1144 56.7969 40.9423 174.3331 566 D 4.3622 7.6019 126.2517 51.6381 41.8928 174.5626 567 P 3.9640 0.0000 0.0000 65.2692 31.6350 178.2595 568 I 3.7689 7.4920 117.8083 62.8382 37.9302 176.2275 569 I 4.1378 7.4507 110.7765 59.4993 38.4545 174.3820 570 N 4.0764 7.5353 118.6782 54.6780 37.7949 173.4813 571 K 5.0326 6.9008 113.8069 54.3754 37.4452 176.5320 572 W 5.1372 9.7419 123.3695 56.4926 30.9761 175.3277 573 I 4.8658 9.7570 125.6366 59.6540 39.1432 174.3650 574 R 4.4593 8.6106 127.5520 54.6515 31.6345 174.8512 575 L 5.0003 8.9928 125.9687 53.1602 46.7871 174.9249 576 S 5.2496 8.8148 113.7488 57.3392 66.6755 172.8460 577 M 5.1217 8.7789 116.5257 54.1778 35.0015 173.1556 578 K 5.2015 8.7872 121.3157 54.6943 35.0109 174.8337 579 L 5.2599 9.1495 126.2240 54.1669 44.7743 174.8581 580 K 4.7932 9.0274 121.6686 54.7714 34.6816 174.9278 581 V 4.5386 8.2225 127.3153 59.6525 33.2103 175.9826 582 E 4.2052 8.8091 123.9451 56.4261 29.9562 177.6852 583 R 4.1450 8.6239 118.1662 58.0193 30.1286 176.8546 584 K 4.6767 7.8726 117.5776 53.4378 34.0268 174.3264 585 P 3.7446 0.0000 0.0000 62.5282 31.6965 176.1069 586 F 4.6549 7.9202 113.3848 56.8310 39.0408 175.2115 587 A 4.2944 6.2658 122.9771 51.2989 21.6021 174.6242 588 E 4.8545 8.0965 116.4006 54.6416 33.0231 175.2208 589 G 4.1729 8.4473 108.5433 43.9862 0.0000 172.8602 590 A 3.9826 8.7786 120.8831 54.7409 18.5903 178.5445 591 L 4.9820 7.4076 110.1480 54.3713 44.4709 176.7242 592 R 4.8638 7.5819 114.0405 55.0416 33.0621 173.4335 593 E 4.8914 9.1077 119.2765 54.5372 32.6159 174.9034 594 A 5.0388 8.1087 125.0623 50.6459 21.4059 175.5284 595 Y 5.0512 9.1477 119.5396 56.0597 41.6674 175.0829 596 H 4.6759 9.2144 121.3225 56.6439 30.0126 174.2811 597 T 4.8796 8.6380 116.2444 60.4342 71.3879 172.3193 598 V 4.8646 8.3711 126.1317 61.0483 34.7312 174.4514 599 S 4.8754 9.4353 122.6256 57.8127 63.6487 174.0111 600 L 5.3618 8.5356 125.7984 54.1006 43.0077 176.6568 601 G 3.9182 8.4399 106.9477 44.6911 0.0000 173.1340 602 V 4.7031 8.0452 119.2522 60.9847 33.9791 174.8175 603 G 4.4067 8.7908 114.2686 44.7297 0.0000 171.6086 604 T 4.7413 8.4834 110.5499 61.0021 70.3597 174.3260 605 D 4.9283 8.4658 118.8823 53.0516 39.8386 178.0504 606 E 3.9544 7.8273 119.4966 59.7388 29.4811 178.1352 607 N 4.2056 7.8431 114.9604 54.8601 39.2010 174.5369 608 Y 4.8449 7.4514 115.9830 55.2368 37.8631 173.8349 609 P 4.3485 0.0000 0.0000 62.7600 32.4191 178.2154 610 L 4.2089 8.0824 120.1234 54.5370 43.0988 176.5890 *616 L 3.9507 8.0136 115.1782 56.2577 40.8079 176.1536 617 F 3.8922 7.6207 123.3926 57.4994 40.6524 172.9867 618 P 2.9700 0.0000 0.0000 60.2810 32.0971 174.4058 619 P 4.2274 0.0000 0.0000 62.4815 32.0740 176.9323 620 I 3.6765 8.4340 119.8715 64.4263 37.9053 177.8927 621 E 4.0575 8.1772 118.1512 59.0318 29.5929 177.3148 622 M 4.4861 8.3708 117.4429 55.0744 32.5184 175.1411 623 I 5.0310 7.4372 120.9143 59.1870 38.8605 175.5936 624 S 4.2559 9.1169 121.5278 57.6626 62.5633 172.6211 625 P 4.4320 0.0000 0.0000 64.5552 31.5519 176.2576 626 I 4.5583 7.2817 119.4307 59.5732 39.2355 175.2763 627 S 4.7240 8.4410 116.7799 57.6778 63.8282 174.6322 628 K 3.9609 8.3921 123.8553 59.1187 31.9998 176.5123 629 N 4.9953 7.7416 115.4472 51.3385 40.3455 173.4434 630 N 4.8978 8.1351 118.2482 50.9054 39.9194 174.9912 631 E 4.2192 10.3925 120.0084 59.3338 29.3678 179.5679 632 A 3.7817 8.6157 121.4735 55.1328 18.1418 179.4359 633 M 3.8849 8.8362 115.1230 58.2603 30.9964 178.1863 634 T 4.2022 7.6967 113.0279 64.5566 67.9816 176.5583 635 Q 4.2241 8.2702 118.1387 57.4911 28.8191 176.6678 636 L 4.5486 7.6126 120.2136 53.6223 42.7465 176.9545 637 K 4.0472 7.5711 117.2472 56.2408 33.4131 175.4951 638 N 4.4401 8.6150 117.6484 55.8918 38.9852 175.2589 639 G 4.0517 9.1943 114.3529 45.4932 0.0000 174.0028 640 T 4.0696 7.9661 117.4423 63.7469 69.4477 173.7545 641 K 4.9100 8.7455 126.3264 56.0164 33.4252 176.0772 642 F 5.1352 9.0538 119.4159 55.7275 42.2840 172.8045 643 V 5.0610 9.3887 118.1761 61.2078 34.2756 174.2005 644 L 5.3991 9.1712 129.5701 53.2597 45.0476 174.8904 645 K 5.8106 9.3200 125.1988 53.8350 35.2444 175.0940 646 L 5.2393 8.4576 123.4811 52.8168 45.7538 175.4567 647 Y 4.4488 8.9612 120.6271 57.8408 37.8965 176.6926 648 K 3.8494 8.7662 123.6771 59.0636 32.4390 176.8479 *655 A 3.6048 7.6364 120.1236 52.0240 19.2704 174.8950 656 S 4.5375 7.5941 111.9627 57.4976 65.4331 175.7471 657 R 4.2090 8.6079 120.7049 59.8374 30.0166 178.2402 658 E 3.4470 8.2008 116.8502 59.2875 29.1965 179.1122 659 L 3.8364 7.5443 119.3669 58.2462 42.1934 178.6421 660 Y 3.9971 7.9074 116.4774 61.0947 37.7255 178.6743 661 F 3.9901 8.1966 118.1911 60.4512 39.0492 177.3581 662 E 3.9736 8.5204 118.5886 59.5218 29.2815 178.9517 663 D 4.3983 8.3347 118.0565 57.2894 41.3050 178.5392 664 V 3.6698 7.9221 118.5323 65.9033 31.5636 177.7551 665 K 3.6155 8.6659 119.8687 59.6753 31.8935 178.1183 666 M 4.2671 8.5294 118.7564 59.0308 32.1103 178.0008 667 Q 3.9150 8.2287 119.4807 59.4750 29.1842 178.1620 668 M 4.0767 8.1559 119.8568 58.1673 31.9477 178.9107 669 V 3.7220 8.1538 118.8264 66.3410 31.7513 177.9821 670 C 4.2267 8.2471 116.5649 62.5570 27.8828 175.9590 671 R 4.1491 8.1360 120.6547 59.6895 29.6798 178.3164 672 D 4.4173 8.2099 118.6238 57.2052 40.7096 178.8277 673 W 4.3337 8.4501 119.7241 59.6187 28.9760 178.6697 674 G 3.9596 9.1332 106.2908 48.2054 0.0000 175.4547 675 N 4.4361 8.3258 118.7849 55.8099 38.3130 177.4655 676 K 4.0125 8.0077 120.1314 59.3907 32.6979 178.2443 677 F 3.4651 8.9998 121.3315 61.3876 39.2688 176.8073 678 N 4.3178 8.7129 116.2560 56.4970 38.1081 177.3305 679 Q 3.9992 7.9819 118.4049 58.5555 28.8477 178.3333 680 K 4.0954 7.6851 117.1228 55.7323 33.4619 176.6351 681 K 3.6854 7.8012 118.7625 56.7816 29.5602 172.5827 682 P 4.4219 0.0000 0.0000 61.3689 32.8162 175.4374 683 P 4.3400 0.0000 0.0000 64.7658 31.2955 177.2704 684 K 4.5719 7.7768 116.3609 54.0847 34.4631 176.1663 685 K 4.3743 8.6575 123.8637 56.3218 32.6663 175.9949 686 I 4.3947 8.4062 115.8101 59.3827 40.7033 174.1456 687 E 4.5896 7.6815 119.4118 55.3500 33.3582 173.7614 688 F 5.1887 8.7794 125.2923 55.5879 40.7676 175.8326 689 L 4.2475 8.7610 123.7931 54.7171 42.1819 177.2857 690 M 3.8316 8.5964 121.4762 56.0641 32.3613 175.7086 691 S 4.8366 7.5661 114.5580 56.8110 66.8515 172.7890 692 W 5.5761 9.2563 118.8059 55.2567 33.9745 174.3844 693 V 4.5120 8.8006 122.2416 62.0802 32.7371 174.8170 694 V 5.0014 8.5800 127.2977 61.1958 34.5270 173.9652 695 E 4.6393 9.2854 128.3041 55.4094 30.7846 176.0987 696 L 4.8947 8.9231 128.0692 53.8352 39.7551 177.7398 697 I 3.9071 7.9623 115.1021 62.9789 37.8865 177.9376 698 D 4.4757 8.1676 121.8204 56.2734 41.1579 176.6735 699 R 4.3844 7.4545 117.7646 54.7817 31.1654 176.5883 700 S 4.2009 8.3785 117.3550 57.9212 63.3471 172.8893 701 P 4.4334 0.0000 0.0000 61.7021 32.2929 173.4986 *707 P 4.1057 0.0000 0.0000 62.3354 32.4016 176.4388 708 I 4.0872 8.1028 123.0185 60.9481 38.0322 174.9298 709 L 4.9957 8.2514 127.1279 53.3600 44.1937 175.1615 710 C 5.0952 8.6264 115.5921 57.4008 33.9104 172.3838 711 S 5.6139 9.0720 112.7900 56.6176 66.0872 173.1515 712 I 5.5949 8.9795 114.1556 59.8253 41.3591 173.6901 713 E 5.4566 9.4885 119.6972 54.8377 33.1387 172.7595 714 P 4.9262 0.0000 0.0000 62.7504 32.4326 175.7181 715 L 4.4097 8.5327 123.3903 54.3427 42.7897 176.0377 716 L 4.4020 8.6492 126.3904 53.8645 42.4906 176.0287 717 V 4.1465 9.2663 123.8381 61.0473 32.6972 174.6835 718 G 3.8466 8.5506 113.0623 43.3397 0.0000 171.5566 719 E 4.2403 8.4672 121.9300 55.8086 29.9766 176.3326 720 F 4.7006 8.9362 130.3041 57.6362 40.6516 174.7787 721 K 4.7250 8.7669 125.2641 54.5071 36.1616 175.1194 722 K 4.4950 8.8608 126.3800 56.0790 32.6020 175.7397 723 N 4.8603 9.4488 125.4250 54.7162 40.6910 174.6000 724 N 5.5389 7.8513 114.0827 51.5559 41.5549 174.1956 725 S 5.4540 8.5860 114.2309 56.2556 65.2812 173.5798 726 N 4.9221 8.6340 115.8944 53.0880 37.1607 175.0812 727 Y 4.7462 7.7677 119.1927 56.9490 38.7159 175.5438 728 G 3.8197 8.5664 108.1008 44.8490 0.0000 174.3229 729 A 3.9812 7.9372 123.7100 51.9675 18.8590 176.6627 730 V 4.2896 8.2325 121.7300 61.3983 32.5502 175.0907 731 L 4.5297 8.7890 127.8794 54.8667 42.6224 176.1293 732 T 4.7312 7.4755 106.9834 60.1550 71.8669 173.0590 733 N 4.7356 8.4844 116.5375 53.1465 39.2464 176.1789 734 R 4.0995 7.2373 117.4386 56.6097 31.0770 177.5988 735 S 4.3683 8.7990 118.1487 61.9168 63.2786 176.7297 736 T 4.0766 8.0653 117.9386 66.6970 68.2702 174.4316 737 P 4.2935 0.0000 0.0000 65.7625 31.2765 178.7010 738 Q 4.2535 8.1741 116.1496 58.6798 28.7449 178.2360 739 A 4.2302 8.3928 122.0827 54.9718 18.4287 179.3352 740 F 3.8818 8.7821 119.5685 61.5811 39.4730 177.4390 741 S 3.8061 7.9329 115.8466 61.0685 62.5650 176.2585 742 H 4.2327 8.5069 120.9391 59.2023 29.5559 176.7557 743 F 4.1436 8.9139 123.2710 61.8245 39.1777 177.2985 744 T 2.6519 7.6104 109.1325 64.3183 68.2604 175.8809 745 Y 4.2279 7.4161 123.4805 59.8231 38.7995 177.6688 746 E 3.6137 8.0505 120.0652 59.3365 29.6805 178.7823 747 L 3.9020 7.6213 117.4574 57.0166 42.0382 178.0401 748 S 4.6766 7.8464 112.2339 57.6131 63.1618 173.9623 749 N 3.8944 8.6347 116.9516 54.6706 36.3229 174.7089 750 K 3.2995 7.6751 112.7710 57.3426 30.0403 177.3768 751 Q 4.2623 7.6983 119.1556 57.8206 29.1813 175.6300 752 M 5.3651 7.5220 113.6328 55.2639 34.9916 173.6170 753 I 4.2194 7.7613 119.1313 59.1807 41.8372 173.7121 754 V 4.3667 8.0469 128.8270 61.7174 33.0697 174.5060 755 V 4.8078 8.2938 123.8823 60.7001 35.7067 174.5446 756 D 4.9814 8.4135 114.4785 55.1468 38.4262 174.5837 757 I 4.0436 8.2946 120.7577 60.6217 37.3971 175.8839 758 Q 4.7783 8.0286 122.5877 53.9022 32.1637 175.0802 759 G 3.2691 6.2949 105.7296 45.6339 0.0000 171.7337 760 V 4.6276 7.5377 123.2328 61.8882 34.0474 176.8163 761 D 4.2267 8.3244 128.5684 56.0839 40.0418 174.4883 762 D 4.0104 8.4210 125.6955 54.5551 42.0078 174.0541 763 L 4.1541 7.6150 122.3382 53.8266 43.4955 174.7911 764 Y 5.1394 8.4030 124.9693 57.1167 41.1762 175.7392 765 T 4.9031 8.7285 116.1220 60.9393 68.9029 170.6982 *767 P 4.7953 0.0000 0.0000 62.4197 33.1575 175.3090 768 Q 4.5821 9.0094 120.0170 54.3337 32.7817 173.5563 769 I 5.0222 8.0402 125.3207 59.1264 40.0732 174.0086 770 H 5.4148 8.3555 123.2478 54.3968 31.3808 173.8268 771 T 5.0378 8.4798 111.2226 59.2882 71.6573 172.9985 772 P 4.2499 0.0000 0.0000 66.3545 31.8018 177.6935 773 D 4.3962 8.1686 117.4869 56.7913 41.3896 178.7053 774 G 3.9136 8.4424 104.3529 45.5835 0.0000 173.2794 775 K 4.3463 7.5043 118.7399 55.7102 33.6541 178.3090 776 G 3.6839 8.6984 111.5679 45.9363 0.0000 172.7193 777 F 3.6894 8.8716 114.2988 58.4393 36.7308 176.9229 778 G 3.9208 8.1446 110.4992 44.6417 0.0000 174.9320 779 L 4.1667 8.3807 117.2989 57.0703 41.7563 178.5826 780 G 3.8549 7.9294 104.8305 45.7724 0.0000 173.0141 781 N 4.7415 7.5981 117.5736 52.9824 38.4505 173.9665 782 L 4.5389 8.8925 125.3876 53.7085 42.9621 178.0627 783 G 3.9139 8.3679 108.3039 46.1719 0.0000 176.1173 784 K 3.9553 8.6906 116.9848 59.3887 32.0561 178.7657 785 A 4.1025 8.0479 120.7884 55.1510 18.5076 179.7046 786 G 3.3457 8.0495 104.2299 47.8201 0.0000 175.7881 787 I 3.5155 7.5669 122.3317 64.2874 37.1658 178.1590 788 N 4.2635 8.5059 117.4229 56.3892 37.8224 177.6544 789 K 3.7215 7.9652 119.7468 59.1353 31.7607 179.1293 790 F 3.9723 7.7382 119.9310 61.1641 39.5613 176.9404 791 I 3.6400 7.4860 118.8720 64.8215 36.7475 178.3011 792 T 3.7719 7.3726 114.9562 66.9565 68.3732 176.0108 793 T 4.1187 7.0464 114.3007 63.7725 69.1238 174.8273 794 H 3.9879 7.0815 121.5203 55.4126 30.2830 174.4014 795 K 4.4415 7.8949 125.6973 54.2373 34.8223 175.9458 796 C 4.3828 8.4803 118.6314 57.9853 30.7203 172.2756 797 N 5.1191 8.2579 117.0997 50.5131 40.1920 174.3123 798 A 4.0390 8.6640 118.2389 55.7493 18.2333 180.0255 799 V 3.5953 8.1599 116.7557 66.2653 31.5946 177.8701 800 C 4.2076 8.6055 115.8894 62.9575 27.8805 176.0096 801 A 4.0189 7.9729 121.6424 55.2644 17.8857 179.7056 802 L 3.9492 8.0267 116.1808 57.3372 41.7248 178.7761 803 L 4.4114 7.7117 116.3507 53.7035 42.0194 175.9319 804 D 4.4927 8.1526 117.6783 55.1473 40.0781 173.6404 805 L 4.5733 7.9267 116.3387 53.3552 42.4652 176.6956 806 D 4.3346 9.2590 122.2998 55.7290 41.7985 176.6013 807 V 3.7429 8.5261 124.2976 63.1364 32.0685 170.4191 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 552 I 8.01 4.15 1.86 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 1.46 1.06 0.90 0.00 0.00 553 S 8.24 4.54 0.00 3.91 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 0.00 554 S 8.65 4.60 0.00 3.88 3.81 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 0.00 555 E 7.52 4.73 0.00 1.93 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.31 0.00 556 T 8.45 4.10 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 0.00 557 G 7.86 4.05 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 0.00 0.00 0.00 558 E 8.82 4.98 0.00 2.07 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 2.35 2.23 0.00 559 M 9.20 4.82 0.00 1.82 2.13 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.66 0.00 560 G 9.01 4.34 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 0.00 561 I 8.43 4.41 2.03 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 1.05 0.62 0.00 0.00 562 L 8.73 5.10 0.00 1.61 1.40 0.70 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 563 W 9.67 5.52 0.00 3.47 3.66 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 0.00 564 E 10.00 5.37 0.00 2.54 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 565 F 8.77 4.26 0.00 1.51 2.40 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 0.00 566 D 7.60 4.36 0.00 2.52 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 0.00 0.00 0.00 567 P 0.00 3.96 0.00 2.11 2.20 0.00 3.55 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.22 0.00 568 I 7.49 3.77 1.80 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.70 0.91 0.00 0.00 569 I 7.45 4.14 1.82 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.80 0.86 0.00 0.00 570 N 7.54 4.08 0.00 2.87 2.91 0.00 0.00 6.88 6.68 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 0.00 571 K 6.90 5.03 0.00 1.60 1.76 0.00 1.80 0.00 0.00 1.96 0.00 0.00 3.20 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.68 1.41 7.81 572 W 9.74 5.14 0.00 3.61 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 0.00 573 I 9.76 4.87 2.12 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 1.17 0.86 0.98 0.00 0.00 574 R 8.61 4.46 0.00 1.12 1.50 0.00 2.39 0.00 0.00 3.08 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.50 0.00 575 L 8.99 5.00 0.00 1.46 1.63 1.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 576 S 8.81 5.25 0.00 3.89 4.06 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.78 5.12 0.00 1.92 2.12 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.42 0.00 578 K 8.79 5.20 0.00 1.86 1.68 0.00 1.61 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.34 1.47 7.81 579 L 9.15 5.26 0.00 1.99 1.90 0.93 0.54 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 0.00 580 K 9.03 4.79 0.00 1.81 1.67 0.00 1.81 0.00 0.00 1.69 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.30 1.33 7.81 581 V 8.22 4.54 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 0.73 0.00 0.00 0.86 0.00 0.00 582 E 8.81 4.21 0.00 2.14 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 2.38 2.44 0.00 583 R 8.62 4.14 0.00 1.97 2.09 0.00 3.02 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 584 K 7.87 4.68 0.00 1.79 1.76 0.00 1.77 0.00 0.00 1.77 0.00 0.00 3.04 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0.00 1.26 1.43 0.00 593 E 9.11 4.89 0.00 1.90 1.47 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 0.00 2.09 2.19 0.00 594 A 8.11 5.04 0.70 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 0.00 0.00 595 Y 9.15 5.05 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 0.00 596 H 9.21 4.68 0.00 3.35 3.10 0.00 5.58 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 597 T 8.64 4.88 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 0.39 0.00 0.00 598 V 8.37 4.86 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 0.96 0.00 0.00 0.90 0.00 0.00 599 S 9.44 4.88 0.00 3.99 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 600 L 8.54 5.36 0.00 1.69 1.63 0.95 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 601 G 8.44 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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 1.33 0.41 -0.37 0.00 0.00 758 Q 8.03 4.78 0.00 2.06 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.97 0.00 0.00 0.00 0.00 0.00 2.56 2.60 0.00 759 G 6.29 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 0.00 0.00 0.00 760 V 7.54 4.63 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 1.02 0.00 0.00 761 D 8.32 4.23 0.00 2.74 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 0.00 762 D 8.42 4.01 0.00 2.28 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 763 L 7.61 4.15 0.00 1.56 1.48 0.84 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 764 Y 8.40 5.14 0.00 1.78 2.51 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 0.00 765 T 8.73 4.90 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 1.59 0.00 0.00 *767 P 0.00 4.80 0.00 2.07 2.33 0.00 3.56 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.50 0.00 768 Q 9.01 4.58 0.00 2.19 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.81 0.00 0.00 0.00 0.00 0.00 2.25 2.18 0.00 769 I 8.04 5.02 1.14 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.70 0.08 0.00 0.00 770 H 8.36 5.41 0.00 2.98 3.26 0.00 5.56 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 0.00 771 T 8.48 5.04 4.32 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 1.28 0.00 0.00 772 P 0.00 4.25 0.00 2.09 2.20 0.00 3.75 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.22 0.00 773 D 8.17 4.40 0.00 2.82 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 0.00 774 G 8.44 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 0.00 0.00 0.00 775 K 7.50 4.35 0.00 2.19 1.74 0.00 2.15 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.54 7.81 776 G 8.70 3.68 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 777 F 8.87 3.69 0.00 3.24 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 778 G 8.14 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 779 L 8.38 4.17 0.00 1.64 1.72 0.86 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 780 G 7.93 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 0.00 0.00 0.00 781 N 7.60 4.74 0.00 3.03 2.86 0.00 0.00 7.08 7.66 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 0.00 782 L 8.89 4.54 0.00 1.64 1.63 0.96 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 783 G 8.37 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 0.00 0.00 0.00 784 K 8.69 3.96 0.00 1.82 1.90 0.00 1.69 0.00 0.00 1.84 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.56 1.64 7.81 785 A 8.05 4.10 1.47 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 0.00 0.00 0.00 0.00 0.00 0.00 786 G 8.05 3.35 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 0.00 787 I 7.57 3.52 1.99 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.10 0.67 0.00 0.00 788 N 8.51 4.26 0.00 2.77 2.81 0.00 0.00 7.12 7.07 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 0.00 789 K 7.97 3.72 0.00 1.47 1.32 0.00 1.35 0.00 0.00 1.21 0.00 0.00 2.26 0.00 0.00 2.65 0.00 0.00 0.00 0.00 0.93 0.21 7.81 790 F 7.74 3.97 0.00 2.95 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 0.00 791 I 7.49 3.64 1.93 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.48 0.87 0.00 0.00 792 T 7.37 3.77 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 1.12 0.00 0.00 793 T 7.05 4.12 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 1.11 0.00 0.00 794 H 7.08 3.99 0.00 2.04 2.78 0.00 5.69 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 795 K 7.89 4.44 0.00 1.61 1.57 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.22 1.25 7.81 796 C 8.48 4.38 0.00 3.18 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 797 N 8.26 5.12 0.00 2.95 2.98 0.00 0.00 5.89 7.77 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 0.00 798 A 8.66 4.04 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 0.00 799 V 8.16 3.60 2.35 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 1.21 0.00 0.00 1.02 0.00 0.00 800 C 8.61 4.21 0.00 3.35 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 0.00 801 A 7.97 4.02 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 0.00 802 L 8.03 3.95 0.00 1.77 1.76 0.93 1.13 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 0.00 803 L 7.71 4.41 0.00 1.92 1.89 0.94 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 804 D 8.15 4.49 0.00 2.81 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 0.00 805 L 7.93 4.57 0.00 1.80 1.56 1.11 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 806 D 9.26 4.33 0.00 2.60 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 0.00 807 V 8.53 3.74 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 0.77 0.00 0.00 0.98 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.