NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 556 T 4.1000 8.1631 115.2431 60.4114 69.2152 174.0504 557 G 3.8421 9.4294 105.4941 43.0310 0.0000 168.2997 558 E 4.9040 9.6685 117.4955 55.0996 33.4194 173.0991 559 M 4.8071 9.1353 120.6579 55.1103 34.0329 175.6142 560 G 4.7705 8.7577 107.2083 45.7860 0.0000 171.7524 561 I 4.4486 8.2176 122.9528 60.1516 38.9745 174.3430 562 L 5.0830 8.5811 129.6140 53.0652 44.4804 174.7895 563 W 5.5847 9.6982 126.6569 55.0407 32.0353 174.1249 564 E 5.2857 9.8642 126.1300 54.4901 31.8339 174.0951 565 F 4.4927 8.7264 128.9678 56.5376 41.3035 174.2646 566 D 4.3799 7.5144 125.7213 51.6591 42.1456 174.6871 567 P 3.9322 0.0000 0.0000 65.2237 31.6408 178.1905 568 I 3.7619 7.5852 117.5896 62.8848 37.9268 176.2801 569 I 4.0793 7.4444 110.9132 59.5873 38.5443 174.3981 570 N 4.0579 7.4303 118.5647 54.5158 37.8278 173.2901 571 K 5.0479 6.8788 113.9544 54.5552 37.4959 176.6584 572 W 5.2780 9.7136 122.7623 56.3512 31.1345 175.3720 573 I 4.8814 9.6947 124.4198 59.5945 39.4637 174.4030 574 R 4.4232 8.6382 127.0467 54.6259 31.6904 174.5932 575 L 5.0510 8.7468 126.4278 52.9927 46.4940 175.0983 576 S 5.2274 8.6732 112.8427 57.5601 66.8402 172.8037 577 M 5.0996 8.7946 116.7503 54.2220 34.9971 173.1063 578 K 5.1208 8.9095 121.1950 54.7109 35.0042 174.8108 579 L 5.3127 9.0936 125.9836 54.2226 44.8880 174.8304 580 K 4.8445 9.1064 120.9990 54.7349 34.9390 174.9582 581 V 4.7338 8.2451 127.1636 59.5785 33.3536 175.6933 582 E 4.1591 8.8046 123.8914 56.6376 29.4811 177.8107 583 R 4.1208 8.8736 121.8002 58.2260 30.5782 177.2726 584 K 4.8143 7.7971 115.6119 53.4623 34.9752 174.1199 585 P 3.7651 0.0000 0.0000 62.3933 31.8503 176.2742 586 F 4.5235 8.2571 114.5395 57.7687 38.9626 175.4743 587 A 4.3677 6.3795 122.7567 51.0214 21.7090 174.4206 588 E 4.8480 8.1085 116.2628 54.7144 32.8340 175.2882 589 G 4.3207 8.3984 109.6646 43.9438 0.0000 172.2707 590 A 4.1375 8.8170 120.9834 54.5653 18.7440 178.7755 591 L 4.7233 7.9217 113.7687 54.8453 44.2613 176.0909 592 R 5.1827 7.6493 115.6031 54.2930 34.9102 173.9886 593 E 4.9743 9.1020 119.6155 54.5264 32.8590 174.9367 594 A 5.1243 8.4568 125.1647 50.2977 21.8344 175.0128 595 Y 5.0040 9.0865 119.6329 56.1273 41.7784 175.0687 596 H 4.6631 9.1419 120.9996 56.4522 30.1307 174.5393 597 T 5.0609 8.5945 118.3548 61.7364 73.2708 173.0759 598 V 4.8649 8.2740 123.6148 59.7572 34.5852 174.7688 599 S 4.6655 9.5019 119.3753 58.2386 63.3833 174.0090 600 L 5.0249 8.1064 126.2829 53.8162 42.4259 176.0143 601 G 4.1121 7.7398 107.4785 43.9446 0.0000 173.5133 602 V 4.5661 8.1298 121.5087 61.3065 33.8568 175.1924 603 G 4.2369 8.9658 112.8024 45.5851 0.0000 171.6079 604 T 4.7158 8.4793 110.6740 60.5969 70.8111 174.3581 605 D 4.8441 8.3925 118.7375 53.1949 39.8090 177.7416 606 E 3.8967 7.8892 122.1998 59.7949 29.5451 177.8431 607 N 4.2960 7.8293 113.5863 54.7823 39.0067 174.7915 608 Y 4.7702 7.3350 115.9398 54.8369 37.9485 173.2518 609 P 4.4538 0.0000 0.0000 62.4243 32.6242 177.7691 610 L 4.1459 8.7781 121.2716 57.1541 42.6916 178.8639 611 G 3.4579 8.0474 107.0092 45.0807 0.0000 173.0117 612 T 3.1841 8.5072 117.0430 63.1995 69.3862 171.3623 613 T 3.8928 8.6124 122.6718 64.9664 66.4427 176.1869 *615 K 4.2121 9.1442 133.3400 56.2787 34.4634 174.3996 616 L 4.0623 7.8667 120.5742 55.3743 42.4571 175.6132 617 F 4.3397 8.2896 126.9690 55.3876 42.0326 172.5154 618 P 2.9700 0.0000 0.0000 60.7114 31.8264 174.4859 619 P 4.4412 0.0000 0.0000 62.3932 32.2933 177.1199 620 I 3.6885 8.4684 120.2526 64.2377 37.9156 177.7440 621 E 4.1212 8.1417 116.5071 58.6794 29.8321 177.0933 622 M 4.5270 8.3880 119.3025 55.0246 32.2839 175.0423 623 I 5.1443 7.4516 120.1526 59.2324 39.6427 175.4391 624 S 4.3394 9.0492 121.3452 57.4993 62.6704 172.4471 625 P 4.4873 0.0000 0.0000 64.0765 31.7193 176.0290 626 I 4.5575 7.4686 120.0993 59.7080 39.2712 175.3049 627 S 4.7345 8.4746 116.4528 57.6184 64.1204 174.8600 628 K 3.9350 8.3160 121.7681 59.2241 31.9147 176.4557 629 N 4.7398 7.9337 117.5700 52.1193 39.2982 173.2952 630 N 5.0555 8.1920 121.3408 51.0507 40.1932 174.7484 631 E 4.2912 9.9585 118.8127 58.9049 29.5614 179.0939 632 A 3.7071 8.5571 121.3740 55.3899 18.1615 179.4546 633 M 3.8944 8.7127 114.5625 58.2817 30.7821 178.2370 634 T 4.2917 7.6662 115.4148 65.6476 69.4544 176.9726 635 Q 4.1759 8.3927 118.2425 57.8925 28.9751 177.0337 636 L 4.5031 7.6913 117.3937 53.7026 42.4351 176.8037 637 K 3.9863 7.7040 117.7258 56.6232 32.6778 175.3974 638 N 4.0474 8.4153 117.4613 55.1451 39.1449 175.3440 639 G 4.0318 8.9840 115.2352 45.3553 0.0000 173.8108 640 T 4.0901 8.0242 117.6955 63.7218 69.4719 173.6640 641 K 4.9158 8.7297 126.1125 55.9223 33.5231 176.1038 642 F 5.1373 8.8930 119.1477 55.9831 41.9054 172.5525 643 V 5.0271 9.4728 118.0873 61.4012 34.3975 174.6252 644 L 5.4139 9.0946 129.5307 53.2987 44.9706 174.9599 645 K 5.2756 9.5680 124.7857 54.6516 35.6316 175.0675 646 L 5.1651 8.5832 124.1023 52.7276 45.0544 175.7099 647 Y 4.6192 8.6503 120.1598 58.0436 38.4650 176.3542 648 K 4.1909 9.2073 123.5044 55.9134 33.1914 177.0167 649 K 3.8114 8.7589 124.8138 56.8094 30.8057 175.5033 *652 E 4.1803 8.1097 123.2215 55.4438 30.9466 176.7879 653 Q 3.8953 8.6241 118.6069 59.5594 28.9478 177.2155 654 Q 4.0715 7.8555 112.8927 56.3232 29.1865 175.2619 655 A 4.1755 7.3346 122.8070 50.5844 19.5245 177.0075 656 S 4.7834 8.0327 116.9578 55.9788 65.8065 175.0816 657 R 4.0808 8.5679 119.2892 59.9128 29.5426 177.9936 658 E 3.5921 7.9611 117.6684 59.1214 29.2083 178.9487 659 L 3.9027 7.6251 119.8580 58.2840 42.1459 178.6560 660 Y 4.0215 7.8848 116.2779 61.1593 37.7300 178.6641 661 F 4.0414 8.3273 118.2544 60.3660 39.0909 177.1280 662 E 3.9972 8.7332 119.3519 59.4352 29.4302 178.6619 663 D 4.4183 8.5534 119.2524 57.4149 40.9232 179.0350 664 V 3.6566 7.9239 118.6217 65.8594 31.5476 177.8336 665 K 3.6612 8.6094 119.8505 59.6581 31.9356 178.2427 666 M 4.2016 8.2424 118.3580 58.8952 32.2199 177.9495 667 Q 3.9343 8.0972 119.5247 59.5070 29.2952 178.2464 668 M 4.0989 8.1809 119.7905 58.2575 31.9767 178.8166 669 V 3.7358 8.3082 118.8839 66.3414 31.6578 177.8932 670 C 4.2039 8.2251 116.4103 62.7403 27.8119 176.1568 671 R 4.1650 8.0026 119.6948 59.5631 29.6244 178.7603 672 D 4.4021 8.0824 118.0272 57.2605 40.7256 178.9185 673 W 4.4230 8.4581 119.6079 59.6502 29.0128 178.6851 674 G 3.9220 9.0777 106.2022 48.2158 0.0000 175.4214 675 N 4.4208 8.4802 119.3407 55.7859 38.3090 177.4488 676 K 4.0411 8.2664 120.2832 59.4897 32.6538 178.2876 677 F 3.4903 8.9205 121.2946 61.2961 39.3247 176.9239 678 N 4.3350 8.6458 116.1347 56.1015 38.0749 177.0732 679 Q 4.0850 7.8142 119.6247 58.3311 29.2083 177.3616 680 K 4.1114 7.5368 116.9199 55.7003 33.1991 176.4382 681 K 3.7153 7.7681 118.2718 56.7251 29.7439 173.4370 682 P 4.3500 0.0000 0.0000 61.7358 32.4473 175.0486 683 P 4.3242 0.0000 0.0000 64.7810 31.3795 177.1639 684 K 4.5465 7.7690 116.4560 54.1880 34.5229 176.1750 685 K 4.4677 8.5970 123.7024 56.1652 32.8237 175.9410 686 I 4.5786 8.5073 114.4845 59.2763 40.9088 174.1950 687 E 4.6358 8.2454 122.1277 54.8687 33.2772 173.5333 688 F 5.2362 8.6525 124.2553 55.4778 41.0520 175.7738 689 L 4.2443 8.6959 123.0652 54.8586 42.1394 177.3790 690 M 3.8860 8.5487 121.3073 55.8444 32.4639 175.6862 691 S 4.8643 7.5206 114.3813 56.5639 66.1686 172.8984 692 W 5.5286 9.3078 123.0432 55.0430 33.9022 174.3533 693 V 4.4671 8.7276 122.3292 62.2513 32.7136 174.8926 694 V 5.0280 8.6644 127.0232 61.2092 34.7721 173.8081 695 E 4.7461 9.1225 127.6502 55.1383 31.0715 176.0421 696 L 4.9469 8.5928 127.9636 53.3149 39.8319 177.8089 697 I 3.8583 7.8759 114.8532 62.7073 38.1045 177.9739 698 D 4.5261 7.8727 119.8468 55.6894 41.2704 176.6339 699 R 4.3725 7.5526 118.6518 54.6983 31.2590 176.6577 700 S 4.3463 8.3438 115.9504 57.4626 63.6648 173.6177 701 P 4.3098 0.0000 0.0000 64.1487 32.5021 178.6702 702 S 3.4071 8.1120 115.1894 58.0144 63.6907 173.6737 703 S 3.5686 9.4728 124.4007 63.0271 60.1957 170.6004 704 N 4.6482 8.9578 120.6852 53.1946 37.8026 175.8836 705 G 3.9929 7.9146 104.0851 45.2643 0.0000 173.5089 706 Q 4.1568 7.7067 119.0315 54.7252 29.3798 174.3977 707 P 4.3477 0.0000 0.0000 62.7261 32.1682 175.7953 708 I 4.1397 8.1542 121.6817 60.8707 38.0465 175.0692 709 L 5.1509 8.1556 126.5388 53.2623 45.1692 174.9005 710 C 4.9203 8.4449 114.7301 57.7734 33.6972 172.4450 711 S 5.6039 8.9627 113.2243 56.6168 65.8149 173.2088 712 I 5.4772 8.8721 113.8930 59.9917 41.3433 173.7672 713 E 5.4222 9.3874 120.9530 54.8828 34.4562 173.1737 714 P 4.9557 0.0000 0.0000 62.5014 32.5218 175.9124 715 L 4.3724 8.5433 123.7932 54.5002 42.7157 176.2465 716 L 4.3630 8.6531 126.4466 54.0610 42.5219 176.1083 717 V 4.2102 8.8219 123.3422 61.3494 33.0139 174.0841 718 G 3.7037 8.5562 113.2523 43.6964 0.0000 171.5627 719 E 4.2894 8.5438 122.2299 55.5320 29.9348 176.8010 720 F 4.5653 8.9267 130.5451 57.9661 40.4977 174.6852 721 K 4.7549 8.6991 125.0871 54.5356 36.3306 175.1279 722 K 4.4850 8.8706 126.1278 56.1184 32.6591 175.6766 723 N 4.9005 9.2790 125.1529 54.5372 40.8682 174.5513 724 N 5.5291 7.8360 114.0373 51.5264 41.5895 174.4384 725 S 5.5144 8.5828 114.2335 56.5681 65.3880 173.9007 726 N 4.9446 8.6629 117.6439 53.1601 37.2118 174.6649 727 Y 4.8200 8.0823 119.6637 57.1971 38.9452 175.8569 728 G 3.8113 8.6382 107.4942 44.6823 0.0000 174.2112 729 A 3.9902 7.8240 123.5449 51.8554 18.9831 176.5230 730 V 4.2326 8.2504 122.3080 61.3723 32.3774 174.9760 731 L 4.5251 8.7688 128.1917 55.0643 42.6779 176.6324 732 T 4.7400 7.4545 106.6744 59.9900 71.8151 173.2107 733 N 4.7225 8.5615 117.3668 53.2525 38.9519 176.0973 734 R 4.1372 7.2714 117.6926 56.2743 30.9606 177.7385 735 S 4.3275 8.8289 118.4700 62.0605 62.9813 176.9348 736 T 4.0269 8.0113 117.9007 66.5083 68.3888 174.6691 737 P 4.2011 0.0000 0.0000 65.6848 31.3989 178.7623 738 Q 4.2348 8.1654 116.2910 58.8024 28.7713 178.3091 739 A 4.2604 8.5603 122.3225 54.9490 18.4132 179.4416 740 F 3.8467 8.4562 119.3433 61.4654 39.5454 177.2603 741 S 3.8170 7.8340 115.7478 61.0900 62.6443 176.2935 742 H 4.1726 8.2708 120.4895 59.2526 29.5828 176.7312 743 F 4.1511 8.7792 123.0781 61.7878 39.0526 177.2861 744 T 2.7572 7.6588 109.1775 64.3176 68.2859 175.9599 745 Y 4.3929 7.3711 123.1483 59.9000 38.8343 177.5713 746 E 3.6964 8.0988 120.1158 59.3512 29.6433 178.7714 747 L 3.9979 7.5020 117.1845 56.9960 42.1370 177.9087 748 S 4.6791 7.8436 112.9337 57.4749 63.1060 173.9057 749 N 4.0706 8.3513 116.2086 54.8237 36.3097 174.5162 750 K 2.9692 7.5672 111.7079 57.3658 30.2131 177.0015 751 Q 4.3334 7.5732 117.3228 56.8894 29.4041 175.2464 752 M 4.7891 7.1818 113.9079 54.5723 34.5195 173.2990 753 I 4.3444 8.0567 119.0841 59.2948 41.9439 173.6680 754 V 4.4005 7.9006 128.6471 61.7438 33.0486 174.7589 755 V 4.6214 8.2332 122.9461 60.7546 35.9153 174.5462 756 D 4.9833 8.4993 114.7444 55.1107 38.3343 174.3997 757 I 3.9549 8.2116 120.4714 60.8634 37.3879 175.6775 758 Q 4.7936 7.9800 125.7645 53.4669 32.7371 174.6574 759 G 3.2472 7.0146 110.1286 46.0760 0.0000 171.1950 760 V 4.5254 7.3677 122.4804 62.0569 33.7343 177.0054 761 D 4.1638 8.2319 128.2919 56.0545 40.2470 174.2430 762 D 3.8163 8.4622 126.0897 54.4551 41.2890 174.6241 763 L 4.5425 7.4943 123.2253 53.8680 43.2340 174.8208 764 Y 5.3011 8.2635 124.6196 56.9018 41.1215 174.6792 765 T 4.9868 9.1438 115.3363 60.4317 71.2508 172.5975 766 D 4.3425 8.2308 121.2393 54.5035 39.8658 170.4749 767 P 5.1570 0.0000 0.0000 62.2054 33.6649 176.5766 768 Q 4.5264 9.0773 120.1862 54.4960 32.4840 173.3699 769 I 5.1714 8.2120 126.1691 59.3917 39.0679 174.6129 770 H 5.3687 8.3580 123.1918 54.3930 31.5813 173.7317 771 T 4.8370 8.8374 110.9345 59.2039 71.7298 173.1727 772 P 4.3156 0.0000 0.0000 65.6967 31.4706 177.3400 773 D 4.4551 8.1362 114.9581 53.3361 39.9332 177.2861 774 G 3.9513 7.5931 106.8996 45.7611 0.0000 173.7221 775 K 4.1811 8.4551 119.4143 56.3355 33.0325 178.4613 776 G 3.6586 8.6671 111.9999 45.8053 0.0000 172.7677 777 F 3.7154 8.9258 114.8659 58.3955 36.1560 176.8043 778 G 3.9204 9.2338 110.9426 44.5714 0.0000 175.0512 779 L 4.0081 8.4470 117.4699 57.4384 41.5972 178.5383 780 G 3.7875 7.9443 104.8399 45.5021 0.0000 173.2232 781 N 4.6896 7.7359 118.0899 53.5683 38.1530 173.9193 782 L 4.4903 8.8259 125.0117 53.6998 42.8873 178.3919 783 G 4.4869 8.1866 107.9113 46.0135 0.0000 175.4081 784 K 3.8812 8.7829 116.8717 59.7168 32.0474 178.6507 785 A 4.1480 8.0713 120.5538 55.1762 18.4916 179.8069 786 G 3.3649 8.0109 103.9063 47.6852 0.0000 176.1023 787 I 3.5542 7.6484 122.0945 64.3497 37.1837 178.2537 788 N 4.2848 8.4515 117.6240 56.2180 38.4184 177.5929 789 K 3.7023 7.8475 119.8568 59.1979 32.0003 179.0446 790 F 3.9888 7.9368 120.4373 61.3533 39.0839 177.1361 791 I 3.5576 7.4864 118.2530 64.5745 36.9566 178.0790 792 T 3.9046 7.7178 109.7367 64.3598 68.5396 175.5481 793 T 4.3081 6.8641 108.5446 60.4921 69.7238 174.1941 794 H 3.9052 7.1072 122.6638 55.8312 30.1072 174.1857 795 K 4.4055 7.9875 126.2657 54.2855 33.8858 176.0110 796 C 4.3220 8.5050 122.0651 59.7948 29.0068 172.6021 797 N 5.1577 8.3130 119.0544 50.5468 40.1843 174.4281 798 A 4.0568 8.5571 118.1373 55.4533 18.2268 180.0507 799 V 3.6181 8.1811 117.0458 66.1598 31.6726 177.7444 800 C 4.0940 8.6292 115.9081 63.1689 28.0350 176.0603 801 A 4.0505 8.0549 121.8916 55.1875 17.7547 179.6284 802 L 4.0135 7.7722 116.5106 57.6304 41.7784 178.8489 803 L 4.3375 7.8518 115.9602 53.7756 42.0049 175.9804 804 D 4.4367 8.0488 117.3999 54.9513 40.2216 173.7028 805 L 4.2972 7.7769 116.3519 53.8761 42.3040 177.2656 806 D 4.5019 9.4612 122.9057 54.8693 41.2042 177.8170 807 V 3.7782 8.5211 116.9655 63.2811 31.9608 176.1732 808 K 4.4677 7.9341 120.7575 54.6341 33.2968 175.8273 809 L 4.4385 8.5227 124.9886 55.0306 41.7832 176.3258 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 556 T 8.16 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 9.43 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 9.67 4.90 0.00 2.06 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 2.33 2.27 0.00 559 M 9.14 4.81 0.00 1.81 2.09 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.65 0.00 560 G 8.76 4.77 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 0.00 561 I 8.22 4.45 1.92 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.83 0.56 0.00 0.00 562 L 8.58 5.08 0.00 1.62 1.39 0.66 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 563 W 9.70 5.58 0.00 3.44 3.60 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 0.00 0.00 0.00 0.00 564 E 9.86 5.29 0.00 2.55 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 0.00 2.29 2.32 0.00 565 F 8.73 4.49 0.00 1.51 2.38 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 0.00 566 D 7.51 4.38 0.00 2.53 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 3.93 0.00 2.10 2.17 0.00 3.53 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.18 0.00 568 I 7.59 3.76 1.79 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.69 0.86 0.00 0.00 569 I 7.44 4.08 1.81 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 1.29 0.69 0.85 0.00 0.00 570 N 7.43 4.06 0.00 2.87 2.90 0.00 0.00 6.89 6.02 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 0.00 571 K 6.88 5.05 0.00 1.65 1.69 0.00 1.73 0.00 0.00 1.87 0.00 0.00 2.94 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.48 1.66 7.81 572 W 9.71 5.28 0.00 3.60 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 0.00 573 I 9.69 4.88 2.13 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 0.81 0.98 0.00 0.00 574 R 8.64 4.42 0.00 1.20 1.62 0.00 2.50 0.00 0.00 3.12 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.50 0.00 575 L 8.75 5.05 0.00 1.56 1.61 0.93 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 576 S 8.67 5.23 0.00 3.88 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 0.00 577 M 8.79 5.10 0.00 1.92 2.13 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.41 0.00 578 K 8.91 5.12 0.00 1.84 1.67 0.00 1.61 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.34 1.46 7.81 579 L 9.09 5.31 0.00 1.86 1.88 0.93 0.51 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 0.00 580 K 9.11 4.84 0.00 1.79 1.64 0.00 1.59 0.00 0.00 1.69 0.00 0.00 2.88 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.30 1.34 7.81 581 V 8.25 4.73 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 0.83 0.00 0.00 582 E 8.80 4.16 0.00 2.03 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 8.87 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4.34 0.00 2.81 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 0.00 618 P 0.00 2.97 0.00 1.55 1.02 0.00 2.47 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.44 0.00 619 P 0.00 4.44 0.00 2.54 2.13 0.00 3.15 0.00 0.00 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.89 0.00 620 I 8.47 3.69 1.89 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 1.50 1.22 0.92 0.00 0.00 621 E 8.14 4.12 0.00 2.14 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 0.00 2.29 2.29 0.00 622 M 8.39 4.53 0.00 2.23 2.23 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.66 0.00 623 I 7.45 5.14 2.01 0.00 0.00 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 1.57 0.88 1.10 0.00 0.00 624 S 9.05 4.34 0.00 3.84 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 625 P 0.00 4.49 0.00 2.23 2.18 0.00 3.79 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 626 I 7.47 4.56 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.95 0.91 0.00 0.00 627 S 8.47 4.73 0.00 3.93 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 628 K 8.32 3.94 0.00 1.77 1.92 0.00 1.73 0.00 0.00 1.63 0.00 0.00 2.81 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.44 7.81 629 N 7.93 4.74 0.00 2.66 2.73 0.00 0.00 6.76 7.79 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 0.00 630 N 8.19 5.06 0.00 3.22 2.80 0.00 0.00 6.32 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 0.00 631 E 9.96 4.29 0.00 2.44 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 2.38 2.51 0.00 632 A 8.56 3.71 1.13 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 0.00 0.00 633 M 8.71 3.89 0.00 2.18 2.21 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 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0.00 1.94 1.56 7.81 677 F 8.92 3.49 0.00 3.32 3.34 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 0.00 678 N 8.65 4.33 0.00 2.96 2.86 0.00 0.00 6.68 7.11 0.00 0.00 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 Q 7.81 4.09 0.00 2.10 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.99 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 680 K 7.54 4.11 0.00 1.60 1.72 0.00 2.08 0.00 0.00 1.75 0.00 0.00 3.11 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.53 1.72 7.81 681 K 7.77 3.72 0.00 1.85 1.80 0.00 1.68 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.47 7.81 682 P 0.00 4.35 0.00 2.04 1.28 0.00 3.69 0.00 0.00 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.29 0.00 683 P 0.00 4.32 0.00 2.09 2.17 0.00 3.63 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.12 0.00 684 K 7.77 4.55 0.00 1.75 1.70 0.00 1.77 0.00 0.00 1.89 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.33 1.44 7.81 685 K 8.60 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0.00 0.00 0.00 0.00 743 F 8.78 4.15 0.00 3.44 3.36 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 0.00 744 T 7.66 2.76 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 0.20 0.00 0.00 745 Y 7.37 4.39 0.00 2.77 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 0.00 746 E 8.10 3.70 0.00 2.07 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 2.27 0.00 747 L 7.50 4.00 0.00 1.27 1.69 0.51 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 748 S 7.84 4.68 0.00 4.01 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 0.00 749 N 8.35 4.07 0.00 2.81 2.85 0.00 0.00 6.91 8.66 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 0.00 750 K 7.57 2.97 0.00 1.64 1.43 0.00 1.53 0.00 0.00 1.55 0.00 0.00 3.06 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.30 0.95 7.81 751 Q 7.57 4.33 0.00 2.19 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.67 0.00 0.00 0.00 0.00 0.00 2.60 2.43 0.00 752 M 7.18 4.79 0.00 1.87 1.77 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.48 0.00 753 I 8.06 4.34 1.63 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.47 0.98 0.65 0.00 0.00 754 V 7.90 4.40 1.76 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 0.94 0.00 0.00 0.49 0.00 0.00 755 V 8.23 4.62 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.41 0.00 0.00 0.85 0.00 0.00 756 D 8.50 4.98 0.00 2.91 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 0.00 757 I 8.21 3.95 1.61 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.14 -0.30 0.00 0.00 758 Q 7.98 4.79 0.00 2.04 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.96 0.00 0.00 0.00 0.00 0.00 2.04 2.49 0.00 759 G 7.01 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 0.00 0.00 0.00 760 V 7.37 4.53 2.05 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 1.04 0.00 0.00 1.01 0.00 0.00 761 D 8.23 4.16 0.00 2.72 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 8.46 3.82 0.00 2.40 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 0.00 0.00 0.00 0.00 763 L 7.49 4.54 0.00 1.55 1.52 0.81 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 764 Y 8.26 5.30 0.00 2.00 2.56 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 0.00 765 T 9.14 4.99 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 1.52 0.00 0.00 766 D 8.23 4.34 0.00 2.87 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 0.00 767 P 0.00 5.16 0.00 2.06 2.32 0.00 3.61 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.44 0.00 768 Q 9.08 4.53 0.00 2.11 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.83 0.00 0.00 0.00 0.00 0.00 2.29 2.22 0.00 769 I 8.21 5.17 1.28 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.62 -0.04 0.00 0.00 770 H 8.36 5.37 0.00 2.99 3.24 0.00 5.58 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 771 T 8.84 4.84 4.31 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 1.25 0.00 0.00 772 P 0.00 4.32 0.00 2.09 2.20 0.00 3.74 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.15 0.00 773 D 8.14 4.46 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 0.00 774 G 7.59 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 775 K 8.46 4.18 0.00 1.92 1.76 0.00 1.82 0.00 0.00 1.72 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.68 1.54 7.81 776 G 8.67 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 0.00 0.00 0.00 777 F 8.93 3.72 0.00 3.24 3.11 0.00 0.00 0.00 0.00 0.00 0.00 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 9.23 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 8.45 4.01 0.00 1.64 1.70 0.64 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 780 G 7.94 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 0.00 781 N 7.74 4.69 0.00 3.03 2.88 0.00 0.00 7.05 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 8.83 4.49 0.00 1.70 1.64 0.84 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 783 G 8.19 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 784 K 8.78 3.88 0.00 1.82 1.90 0.00 1.69 0.00 0.00 1.84 0.00 0.00 3.15 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.56 1.66 7.81 785 A 8.07 4.15 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.01 3.36 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 0.00 0.00 0.00 0.00 787 I 7.65 3.55 1.96 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 0.71 0.63 0.00 0.00 788 N 8.45 4.28 0.00 2.64 2.81 0.00 0.00 7.11 7.24 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 0.00 789 K 7.85 3.70 0.00 1.64 1.41 0.00 1.17 0.00 0.00 1.22 0.00 0.00 2.60 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.87 0.21 7.81 790 F 7.94 3.99 0.00 3.08 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 0.00 791 I 7.49 3.56 1.93 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.65 0.87 0.00 0.00 792 T 7.72 3.90 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 1.17 0.00 0.00 793 T 6.86 4.31 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 1.09 0.00 0.00 794 H 7.11 3.91 0.00 2.04 2.89 0.00 5.90 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 795 K 7.99 4.41 0.00 1.64 1.61 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.91 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.25 1.30 7.81 796 C 8.50 4.32 0.00 2.98 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 0.00 797 N 8.31 5.16 0.00 2.93 2.94 0.00 0.00 6.05 7.84 0.00 0.00 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 8.56 4.06 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 8.18 3.62 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 1.21 0.00 0.00 1.02 0.00 0.00 800 C 8.63 4.09 0.00 3.29 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 0.00 801 A 8.05 4.05 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 0.00 802 L 7.77 4.01 0.00 1.84 1.75 0.94 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 803 L 7.85 4.34 0.00 1.76 1.84 1.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 804 D 8.05 4.44 0.00 2.81 2.74 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 0.00 0.00 0.00 0.00 805 L 7.78 4.30 0.00 1.69 1.39 0.99 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 806 D 9.46 4.50 0.00 2.76 2.76 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 0.00 807 V 8.52 3.78 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.96 0.00 0.00 808 K 7.93 4.47 0.00 1.71 1.73 0.00 1.66 0.00 0.00 1.72 0.00 0.00 3.07 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.36 1.53 7.81 809 L 8.52 4.44 0.00 1.71 1.74 0.92 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 * Residues marked with a * may have inaccurate shift predictions.