NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 530 M 4.4142 8.3044 118.1950 55.4109 32.5067 175.4002 531 D 4.5060 8.2530 120.7207 52.3815 39.9334 173.5633 532 L 4.5203 8.5939 123.6258 53.4845 44.0518 176.4379 533 I 4.4094 8.0897 120.1784 61.1167 39.7144 176.2446 534 A 4.0168 8.1283 122.8018 51.7059 18.5312 175.2552 535 P 4.4282 0.0000 0.0000 62.0041 32.2762 176.0818 536 E 4.0302 8.5504 122.4217 56.2144 30.3236 176.0314 537 D 4.7436 8.4830 124.7125 54.3410 42.8475 174.9596 538 V 4.7597 8.6928 119.2879 61.2976 35.2586 174.6295 539 V 4.4335 8.7713 121.6241 60.6779 32.8351 175.1349 540 V 4.8203 8.9715 127.1058 61.8205 33.3573 174.8233 541 T 5.2358 8.7560 117.2820 59.8137 72.5260 172.4793 542 L 5.3889 8.5226 124.2455 53.4732 45.5563 176.2320 543 S 4.7807 9.1062 121.4268 57.5457 64.8176 174.5983 544 H 4.3659 9.0563 120.5447 58.7222 29.2915 176.6377 545 A 3.9829 8.7918 120.9330 53.5467 18.5960 177.8282 546 G 4.1517 7.7947 105.5787 45.8160 0.0000 172.4670 547 Y 4.9629 8.6321 117.6549 56.6033 39.6740 174.6781 548 A 5.6891 9.2108 125.2631 49.7445 22.3246 175.2184 549 K 5.0603 8.3159 119.8336 55.4162 36.0261 174.4995 550 R 5.5588 8.8141 120.4938 53.7832 33.3157 173.7586 551 Q 4.8975 8.3827 119.3941 54.1668 32.9517 171.5952 552 P 4.6079 0.0000 0.0000 63.1014 31.9509 177.8906 553 V 3.7762 8.9814 125.0155 64.8356 31.1941 178.9323 554 S 4.1555 9.6191 116.1412 61.1845 62.9232 176.3687 555 A 4.0245 7.8791 124.0207 54.7826 18.1030 178.5332 556 Y 4.1402 7.8124 118.5564 60.4220 39.0369 178.5338 557 R 4.0207 8.5398 118.8943 59.2615 29.9732 179.0085 558 A 4.0240 8.0589 119.3885 54.4186 18.4452 178.6487 559 Q 4.3109 7.4827 113.8464 54.8800 29.3892 176.2570 560 R 3.8772 7.0682 121.3806 56.1687 30.3906 176.5927 561 R 4.4257 8.4166 117.5935 55.2039 33.1294 179.4078 562 G 3.4189 9.3824 103.0955 45.0485 0.0000 173.8212 563 G 4.3219 9.4805 117.9045 45.8664 0.0000 176.1792 564 R 4.1388 7.5220 118.4935 55.3435 28.7489 176.8403 565 G 3.8951 8.0615 108.2345 44.7749 0.0000 173.2614 566 R 4.0958 8.3218 116.2607 58.5568 30.3632 176.3971 567 S 5.1669 7.5214 109.1924 57.3943 66.6364 172.9965 568 A 4.7202 8.5540 119.3708 50.9403 22.6313 175.3031 569 A 5.0842 8.3706 120.6866 50.3422 22.5598 175.5204 570 S 4.6883 9.3517 114.9393 56.9581 65.7623 174.2904 571 T 4.5524 8.4500 116.6757 61.6055 68.8783 175.8005 572 K 3.7013 8.0009 119.2512 58.0071 32.2238 176.6037 573 E 3.9038 7.5580 117.1290 56.8811 27.5738 174.8393 574 E 4.1784 8.1361 114.6756 56.0208 30.5652 176.1216 575 D 4.6528 8.4519 120.4781 54.6275 42.2874 174.9402 576 F 5.1568 7.6285 116.7181 55.4525 41.3690 172.9149 577 I 4.5272 8.5205 114.5212 60.7135 38.3550 175.0892 578 D 5.0603 8.9433 123.6392 53.0296 41.2498 175.1547 579 Q 4.2707 7.6267 117.9677 54.1969 33.2406 173.7257 580 L 4.8341 7.2654 124.1135 53.4220 45.2512 174.9445 581 W 5.0656 9.3805 125.7397 54.8076 33.4719 173.8077 582 L 4.9644 8.6404 125.9133 54.0524 42.6921 175.7375 583 V 4.5756 8.8367 118.6958 59.9521 37.0781 173.4810 584 N 4.7896 9.1360 120.5920 53.2381 39.4451 176.0988 585 T 3.8489 8.6216 121.1811 67.0092 68.6117 174.6307 586 H 4.5498 8.1029 115.3041 56.1559 29.2500 174.6417 587 D 4.7454 8.1103 121.2213 54.3372 42.5630 175.0741 588 T 4.8640 8.8107 115.5890 61.9174 72.7652 173.4825 589 L 4.5496 8.8550 125.5707 53.2650 43.5562 175.3948 590 L 4.3375 8.7473 127.7184 54.2748 43.4707 175.2954 591 T 5.0410 8.3973 123.6373 61.7474 71.6454 173.1485 592 F 5.2604 9.5887 125.1160 56.0313 42.2899 174.7449 593 T 5.0577 8.6797 118.8590 62.5510 71.2035 176.4898 594 S 3.9894 9.0980 121.6819 61.6551 63.4812 176.4791 595 S 4.6490 8.2073 112.5956 58.4143 62.8614 174.7067 596 G 3.9459 8.5102 108.8951 45.8546 0.0000 173.5011 597 K 5.0796 7.8274 118.3526 54.4363 35.3353 175.5619 598 V 4.3861 7.9572 120.7025 59.8748 34.6033 174.5589 599 F 5.1183 8.7746 120.8066 55.4929 43.8153 173.5768 600 W 4.9443 9.3343 119.3055 55.0142 31.6698 175.2632 601 L 4.4485 8.8292 128.0320 52.2100 43.3168 173.5627 602 P 4.4629 0.0000 0.0000 62.2700 32.1367 178.0669 603 V 3.4451 8.5955 123.6958 66.1326 31.6117 177.6158 604 H 4.2424 8.0929 118.0956 58.7967 29.8744 176.1112 605 Q 4.2720 7.8724 117.5981 58.0666 28.8412 176.7663 606 L 4.2280 7.3258 117.8139 53.7451 42.4356 174.9530 607 P 4.6042 0.0000 0.0000 62.6226 33.1354 174.6497 608 E 4.9344 8.7093 123.0207 55.8973 30.0699 175.1522 609 A 4.5800 8.5402 127.3471 50.9779 23.2276 175.9446 610 G 3.8800 8.5305 109.1823 44.7140 0.0000 174.6890 611 S 4.4098 7.8772 110.7738 59.7583 62.7463 174.7834 612 N 4.5865 7.9993 117.5493 53.7445 39.2755 174.6841 613 A 4.8114 7.6104 120.0657 50.1404 21.4444 176.3353 614 R 4.1428 8.4871 116.1433 56.1247 30.9863 178.1285 615 G 3.9935 8.3055 105.1570 44.7287 0.0000 172.3421 616 R 4.9285 8.5690 118.0455 53.3658 33.8319 173.2741 617 P 4.4239 0.0000 0.0000 62.8166 31.9063 177.6373 618 I 4.0625 8.6467 117.2811 63.8603 37.8027 177.7128 619 I 3.9709 7.7061 112.9369 62.0184 37.5946 177.2841 620 N 4.1625 8.1145 119.0727 55.3379 38.2755 175.6052 621 W 4.5545 8.2200 115.5657 56.2792 30.0654 176.0704 622 I 3.5038 7.2592 119.2309 57.8427 37.4396 172.7787 623 P 4.2504 0.0000 0.0000 62.8611 29.7402 175.7573 624 L 4.4994 7.8621 124.7728 53.9897 42.9681 177.1434 625 E 4.2792 9.3024 122.8648 55.2701 30.3568 176.2916 626 S 4.1903 8.4806 115.0260 60.1442 62.5199 175.1660 627 G 4.0000 8.8739 114.7496 45.7688 0.0000 173.3101 628 E 4.2639 8.1013 120.7537 55.9139 30.5721 175.6975 629 R 4.7886 8.5173 122.7019 54.0137 34.3103 175.0076 630 V 4.0426 8.4423 122.3305 63.4346 31.4256 175.4129 631 Q 4.6939 9.4057 126.8313 56.8713 31.0499 175.9230 632 A 4.7442 7.7824 118.4838 50.6286 22.9304 175.6250 633 V 4.6739 8.5607 120.1643 61.2462 34.3238 174.7771 634 L 4.5963 8.8827 129.3471 52.0777 43.9180 174.6324 635 P 4.5327 0.0000 0.0000 62.5852 32.1338 176.5604 636 V 4.2564 8.9774 116.3200 59.9210 35.4831 176.1442 637 R 4.3776 8.7554 123.1441 56.7659 31.2991 175.7041 638 E 4.4699 7.3587 112.0381 55.5624 32.7204 174.6934 639 Y 4.4414 8.0947 117.6544 56.7334 36.9563 175.9425 640 A 4.1078 7.3904 123.0070 52.0277 20.0735 177.2166 641 D 4.4264 8.3539 119.8582 54.0807 42.4002 176.5291 642 N 4.3217 8.7996 116.2540 53.6056 36.9924 174.4731 643 R 4.9067 6.9956 115.9900 54.5739 33.6628 174.4153 644 Y 5.2250 8.8801 118.7374 56.3275 42.9446 174.3333 645 V 4.5069 9.1963 122.2801 61.6840 33.3436 174.2644 646 F 5.1006 9.2365 130.8490 56.6536 41.8673 173.9233 647 M 5.1921 8.2826 124.9985 53.4008 35.5190 174.4592 648 A 5.2576 9.2617 123.9494 50.5696 22.9070 175.2316 649 T 4.9041 8.6795 117.8359 61.5304 71.4975 175.9293 650 R 3.9050 9.2458 124.3363 59.5580 30.2267 177.8261 651 N 4.5912 8.2994 112.8701 53.3787 38.7498 175.7342 652 G 4.0647 8.3358 107.3929 45.2108 0.0000 173.5875 653 T 4.8484 7.6241 116.2285 63.0059 70.3304 174.0998 654 V 4.9915 8.6129 116.7305 59.8253 36.3496 174.4246 655 K 4.6305 8.1357 121.8229 54.9243 36.2747 174.5128 656 K 4.8354 8.5242 126.4763 55.0283 34.9117 174.4380 657 T 5.3314 8.7042 124.4425 60.1173 71.4258 172.2640 658 P 4.4992 0.0000 0.0000 62.9779 32.0776 177.2724 659 L 4.3035 9.2079 126.2412 58.1507 42.2879 179.2164 660 S 4.0893 8.2319 112.1871 61.2353 62.6699 175.1733 661 E 4.0200 8.1699 119.0433 58.0331 29.1898 177.2863 662 F 4.7518 8.6292 117.1265 57.1246 39.1750 176.7454 663 A 2.0000 7.4132 125.5648 53.1237 18.2083 178.0115 664 F 4.5954 7.1504 113.7470 55.1755 40.0581 175.2806 665 R 2.0000 7.5802 122.2075 54.7407 30.0866 176.0003 666 L 4.5204 6.8306 120.1767 52.8636 44.9622 177.1320 667 A 4.1441 8.8969 128.9095 55.0084 18.4250 178.1125 668 R 4.3958 8.1155 109.5991 55.9817 30.1068 177.0434 669 G 3.3421 9.1544 105.6604 45.1337 0.0000 172.2105 670 K 4.7074 7.8221 116.2668 54.2215 37.1624 176.0505 671 I 4.1120 8.3799 121.9876 61.5060 37.8670 175.1494 672 A 4.8034 9.1742 130.5581 53.0861 21.1132 176.7717 673 I 4.6383 7.4404 112.7428 60.3411 41.0774 173.7003 674 N 4.7068 9.0457 128.2505 52.8911 39.9922 173.7732 675 L 4.6694 8.3797 126.1190 52.9528 43.7232 176.3051 676 D 4.5626 8.3333 122.0372 53.7070 41.5898 175.4428 677 E 4.1175 8.4972 122.3949 57.5468 30.0039 177.7021 678 G 3.9661 8.8538 113.2804 45.7598 0.0000 173.1530 679 D 4.6073 7.9522 118.9183 53.7833 42.2932 174.8571 680 A 4.9637 8.0069 123.3146 49.8420 23.1584 174.8090 681 L 4.3429 8.7594 123.0730 55.3272 42.1520 176.1436 682 V 4.2105 9.0321 126.5246 64.0070 33.1775 176.0451 683 G 4.3278 7.9365 106.4211 44.3008 0.0000 171.5236 684 V 4.9902 8.2730 121.7047 60.9572 34.7867 174.2330 685 A 4.7389 8.8907 127.3409 50.4672 22.9792 175.1337 686 L 4.9952 8.4464 120.0513 54.4025 43.1217 176.3573 687 T 4.8853 9.0988 112.1784 60.1435 72.5736 173.9550 688 D 5.0170 9.0129 120.6101 53.2080 40.0345 176.7053 689 G 4.5198 8.7781 108.6786 45.4477 0.0000 174.1482 690 D 4.7032 8.1726 117.0702 54.2730 41.3120 176.5783 691 R 4.5219 8.3363 119.9352 55.5329 32.0045 175.5262 692 D 4.9342 8.6021 121.4560 53.8897 42.7029 175.8695 693 V 4.3933 8.4086 115.1130 59.3356 34.6957 174.7007 694 L 5.5007 8.6089 123.8960 51.8944 45.1226 175.4157 695 L 5.2709 8.2410 122.0863 52.9677 45.2628 175.2604 696 F 5.1613 9.1548 120.5909 55.7748 42.5492 174.5628 697 A 5.1858 8.8949 125.6304 50.1579 21.1666 178.1738 698 S 4.1260 9.0581 113.8985 61.1249 63.1083 175.7159 699 N 4.7803 8.2649 116.8795 53.0208 38.3882 175.9196 700 G 4.2582 8.3421 108.2939 46.1518 0.0000 174.0558 701 K 4.6695 7.7451 119.6890 56.7674 33.6069 175.9401 702 T 5.3092 8.9588 118.0628 60.0017 71.0962 173.1069 703 V 4.7594 8.1538 120.4335 59.9238 35.6898 174.6637 704 R 5.0078 8.8316 122.2410 55.2685 33.5294 173.7798 705 F 5.1952 8.6137 120.6498 55.3498 42.2067 173.9800 706 G 4.0042 8.8059 108.7339 45.1020 0.0000 174.7422 707 E 4.0459 9.0902 124.5749 58.7334 29.8240 179.0190 708 S 4.2350 8.0538 112.2012 60.8122 62.9683 175.3864 709 T 3.9285 7.6990 117.1084 65.0871 68.3786 174.3666 710 V 4.2250 7.5809 121.3415 60.3763 32.0503 175.4251 711 R 4.1112 8.3326 124.0665 55.8334 30.0055 176.7005 712 S 4.6074 8.4901 115.9918 59.5691 63.4954 173.3933 713 M 4.9092 9.2231 122.5360 53.3542 37.0171 174.9937 714 G 3.8783 8.5020 107.5043 45.6322 0.0000 175.0644 715 R 4.1939 8.8176 118.9158 59.1878 30.1173 179.3131 716 T 4.0625 7.7653 110.5107 63.5931 68.0006 174.5400 717 A 4.2256 7.6489 123.9287 52.6138 18.8846 178.2343 718 T 4.1949 7.8142 115.2224 63.3019 69.1373 176.4432 719 G 3.7823 8.1873 109.0304 44.5567 0.0000 171.4261 720 V 4.5911 8.1608 111.1406 59.1907 36.4747 175.4701 721 R 3.9834 8.6706 120.1987 57.2046 30.1866 175.7494 722 G 4.1129 9.0047 107.0798 46.8679 0.0000 171.5903 723 I 5.0998 8.1332 120.8023 58.1432 41.0445 174.3490 724 R 4.2433 9.0143 130.5251 55.7257 30.8657 175.3548 725 L 4.3887 8.5007 126.8777 53.5432 42.9812 176.9136 726 A 4.1472 8.3745 125.6264 51.5063 19.1025 176.7461 727 K 4.0286 8.4830 121.5569 58.0075 32.5178 177.8416 728 G 3.9601 8.8181 112.8511 45.8708 0.0000 173.2766 729 E 4.5014 7.7662 118.9446 55.6457 31.0083 174.7952 730 E 4.9344 8.5788 118.1749 54.7164 34.6333 175.1619 731 V 4.1033 8.8180 122.6084 63.3760 31.4964 175.8235 732 V 4.3967 9.4754 128.1328 63.8441 33.8487 175.8303 733 S 4.7727 7.9839 114.3011 56.7910 67.5447 172.6843 734 L 5.2287 8.5540 124.7662 53.5308 43.9385 175.4328 735 I 4.5681 8.7483 126.3925 59.4537 40.6032 174.3654 736 V 4.6807 8.3477 126.5750 61.3797 33.5789 174.6488 737 S 4.6990 8.6732 121.2478 56.9593 66.7741 172.8480 738 E 4.4945 8.6009 117.6326 55.8350 30.3987 177.0899 739 R 4.4348 8.7104 118.6142 55.4731 30.5971 176.5900 740 A 3.7269 8.3382 124.4851 52.5545 18.4871 176.9913 *776 A 4.1365 8.3986 123.8185 52.6405 20.2064 174.8618 777 Y 5.0573 8.6034 119.3606 56.2723 42.2804 174.6589 778 I 4.6784 8.9732 123.1359 59.5879 39.6132 174.4977 779 L 4.9538 8.9474 130.8623 54.3965 43.5584 175.3810 780 T 5.1225 8.5724 115.8854 60.0594 71.8417 172.9214 781 A 5.1848 8.7034 123.9113 50.9886 23.3630 174.8313 782 T 5.1484 8.6523 113.6805 59.8640 70.9804 174.7487 783 E 4.0388 9.3814 123.8219 58.6121 30.6145 177.7713 784 N 4.7903 8.3025 116.4718 52.5599 39.4786 176.1204 785 G 3.7166 8.3577 106.5724 46.7845 0.0000 173.0498 786 Y 4.9740 7.7020 116.6676 55.9618 41.0932 175.0116 787 G 4.2467 8.2644 107.6056 47.1963 0.0000 171.2642 788 K 4.7650 7.7190 116.8317 56.5975 36.4125 174.0760 789 R 5.1424 8.5414 120.2225 55.0474 32.5897 175.7847 790 T 5.3312 8.7234 118.8970 61.0008 72.8210 172.1183 791 P 4.3628 0.0000 0.0000 62.3302 32.4320 176.8009 792 L 3.9254 9.0592 124.8780 58.4300 41.9155 179.3385 793 A 4.1709 8.0144 118.7263 54.6156 18.2591 177.5430 794 E 4.2758 8.0729 113.8060 56.3815 29.7239 175.6323 795 Y 4.2449 8.1845 118.8601 55.4367 38.2998 173.9716 796 P 4.5378 0.0000 0.0000 61.7438 32.4986 176.2780 797 R 4.1324 8.4370 118.1835 57.3060 30.7192 176.1252 798 K 4.5336 9.3641 124.8578 54.5766 35.7880 175.7711 799 G 4.0749 8.8634 114.6017 45.8259 0.0000 172.7822 800 R 3.7955 8.3375 122.2097 57.6031 30.3477 177.0360 801 G 3.9388 8.9704 113.4346 45.7899 0.0000 173.9275 802 T 4.2695 7.2513 116.6186 62.9859 69.1996 175.3212 803 Q 4.3013 7.9127 119.8552 55.8183 29.0164 177.5957 804 G 3.9642 7.9715 104.1763 45.3237 0.0000 172.7970 805 V 4.3252 7.8586 112.0258 59.2568 34.6321 175.7645 806 I 4.0881 8.2480 123.0134 61.8116 36.5670 176.6102 807 G 4.2068 9.1182 115.7067 48.1685 0.0000 173.4748 808 I 4.7855 7.3159 117.3684 60.7264 41.3580 173.5835 809 Q 4.1990 9.4220 128.6659 55.5116 29.0137 176.8001 810 T 4.5741 8.0800 118.3525 61.1700 67.8803 173.9280 811 T 3.9625 7.5946 110.9842 61.4393 69.7456 174.6932 812 E 3.8467 8.8626 121.8794 59.8114 29.1970 178.5988 813 R 3.8402 7.6985 116.6609 59.7016 30.6265 176.7661 814 N 4.3254 8.2148 114.8569 55.0461 38.8673 177.1280 815 G 4.2320 8.0997 106.4267 44.0710 0.0000 173.0456 816 K 4.3629 9.0958 117.2851 55.4681 32.5151 176.4693 817 L 4.4163 8.3829 123.9293 55.2041 42.6360 176.9783 818 V 3.9743 8.7435 127.0611 65.4287 32.2312 175.9378 819 R 4.6863 7.6487 117.7386 55.1063 33.4914 173.0092 820 A 5.1041 8.5325 126.2158 49.9221 21.3249 176.1405 821 V 4.3411 8.5447 121.2755 59.8247 35.4053 173.9254 822 L 4.6464 8.4246 125.7337 54.5900 42.6825 175.5668 823 L 4.6660 8.6308 127.3495 53.2539 42.7196 177.2844 824 G 3.8824 10.0216 114.2153 44.9715 0.0000 174.7011 825 S 4.2506 8.5950 114.0319 60.6697 63.2076 175.2402 826 T 4.4387 7.6770 108.1518 61.0235 69.0962 174.0204 827 D 4.6856 7.5780 122.2471 54.9999 41.9107 175.8293 828 E 4.6076 9.0593 122.7968 56.3890 31.0454 176.2492 829 V 4.9360 9.2370 116.3514 59.8462 35.6018 174.5620 830 M 5.2198 9.1776 122.7381 53.4806 36.0195 174.4521 831 L 5.1197 8.7779 122.3952 52.9701 45.1273 175.4319 832 I 5.1024 8.9267 125.0982 59.5074 40.3251 175.9391 833 S 5.0228 8.9004 122.6839 57.3979 65.2314 174.1191 834 D 4.8413 8.9581 118.4175 53.7674 39.5474 177.3731 835 G 3.8434 8.3503 107.8044 45.3100 0.0000 174.7281 836 G 3.9211 7.8560 107.5198 45.7797 0.0000 173.8995 837 T 4.2847 7.6417 116.8782 63.0559 69.9309 173.1225 838 L 5.0417 8.8348 127.9763 53.2628 45.0556 175.2261 839 V 4.8611 8.4599 119.3176 59.6067 34.6904 174.7529 840 R 5.0151 8.6398 123.6949 54.8815 32.7215 175.3573 841 T 5.0572 8.4849 118.6695 61.7314 73.9398 173.4542 842 R 4.3440 8.1063 122.4203 56.0486 30.9102 178.6667 843 G 3.5721 9.5772 112.6074 48.8082 0.0000 175.6400 844 S 4.2776 7.9643 110.9462 59.3417 62.8294 174.2034 845 E 4.3622 7.8827 119.8704 56.5158 29.8426 175.7772 846 I 4.2743 7.4465 120.8934 59.5040 38.6281 175.8142 847 S 4.1953 8.4727 120.8160 59.0426 63.9291 173.3493 848 R 5.3702 8.4113 123.4335 54.6852 30.8354 175.6987 849 V 4.5096 8.3292 123.0593 60.6496 35.3248 174.7409 850 G 3.9806 8.5423 111.6418 44.3425 0.0000 174.2742 851 R 3.9427 8.3477 115.8456 58.9673 30.0716 176.8657 852 N 4.8422 7.7077 117.8488 51.8738 37.5768 172.5152 853 T 4.7496 7.1245 117.4492 62.3049 73.4641 174.9767 854 Q 4.1552 8.6391 120.3061 55.9477 29.4157 177.5383 855 G 3.8805 8.0015 106.0963 44.5186 0.0000 172.2999 856 V 4.5617 8.3507 117.1717 60.5545 34.2542 175.5885 857 T 3.8943 8.6006 120.1869 64.1729 68.4787 173.9516 858 L 4.6689 8.4199 125.6674 54.2445 43.6527 175.7281 859 I 4.3694 7.1475 117.2256 60.0380 40.8415 173.4765 860 R 4.2130 8.4870 126.9602 54.9094 30.5030 175.7008 861 L 4.7455 8.1244 123.1644 52.9582 44.2540 177.0924 862 S 4.6379 8.9699 116.4986 56.8698 65.4484 173.3889 863 K 4.2324 8.5715 119.6106 58.2439 32.1714 176.9554 864 G 4.0737 8.5182 110.5157 46.5599 0.0000 172.3126 865 E 4.7798 7.9805 118.5991 53.7356 31.9265 175.0069 866 K 4.7447 9.2643 125.1176 53.8994 35.3603 175.0772 867 L 4.1652 8.4092 124.2313 55.7948 41.6514 176.3996 868 Q 4.3992 9.1566 128.7292 58.3197 30.1445 175.4868 869 A 4.6563 7.5157 117.3426 50.9058 22.7424 175.4239 870 V 4.8112 8.3885 119.3334 61.2906 34.3341 174.4540 871 E 4.9352 9.3266 126.5418 54.7341 33.9478 174.6447 872 R 5.0071 8.2251 119.5460 55.0991 33.5333 173.8199 873 L 4.5662 9.1245 127.3601 53.4962 45.7315 174.2396 874 D 4.9214 8.8099 126.2040 52.6075 41.8147 175.0815 875 A 4.6951 8.4313 128.8574 52.1014 19.5762 177.7661 876 S 4.4156 9.1444 115.4093 61.5180 63.7990 174.1461 877 L 4.2934 7.5466 126.2467 54.5251 42.1750 175.4788 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 530 M 8.30 4.41 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.54 0.00 531 D 8.25 4.51 0.00 2.71 2.63 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 0.00 532 L 8.59 4.52 0.00 1.68 1.57 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 533 I 8.09 4.41 1.87 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 1.35 0.48 0.91 0.00 0.00 534 A 8.13 4.02 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 0.00 535 P 0.00 4.43 0.00 2.19 2.07 0.00 3.76 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.92 0.00 536 E 8.55 4.03 0.00 1.96 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 2.31 2.35 0.00 537 D 8.48 4.74 0.00 2.65 2.69 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 0.00 538 V 8.69 4.76 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 1.05 0.00 0.00 0.95 0.00 0.00 539 V 8.77 4.43 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.47 0.00 0.00 0.47 0.00 0.00 540 V 8.97 4.82 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 1.18 0.00 0.00 0.93 0.00 0.00 541 T 8.76 5.24 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 1.18 0.00 0.00 542 L 8.52 5.39 0.00 1.95 1.53 1.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 543 S 9.11 4.78 0.00 4.17 4.04 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 0.00 544 H 9.06 4.37 0.00 1.72 2.55 0.00 5.60 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 545 A 8.79 3.98 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 0.00 546 G 7.79 4.15 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 0.00 0.00 0.00 547 Y 8.63 4.96 0.00 2.93 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 0.00 548 A 9.21 5.69 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 549 K 8.32 5.06 0.00 1.89 1.67 0.00 1.97 0.00 0.00 2.08 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.61 1.50 7.81 550 R 8.81 5.56 0.00 1.89 1.95 0.00 3.12 0.00 0.00 3.28 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.39 0.00 551 Q 8.38 4.90 0.00 2.36 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.07 0.00 0.00 0.00 0.00 0.00 2.45 2.46 0.00 552 P 0.00 4.61 0.00 2.15 2.01 0.00 3.70 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.13 0.00 553 V 8.98 3.78 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 1.05 0.00 0.00 0.98 0.00 0.00 554 S 9.62 4.16 0.00 4.01 4.19 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 0.00 555 A 7.88 4.02 1.42 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 0.00 0.00 556 Y 7.81 4.14 0.00 3.10 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 0.00 557 R 8.54 4.02 0.00 1.93 1.99 0.00 3.22 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.97 0.00 558 A 8.06 4.02 1.36 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 0.00 559 Q 7.48 4.31 0.00 2.04 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.76 0.00 0.00 0.00 0.00 0.00 2.31 2.44 0.00 560 R 7.07 3.88 0.00 1.80 1.77 0.00 3.04 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.24 0.00 561 R 8.42 4.43 0.00 1.81 1.96 0.00 3.12 0.00 0.00 3.19 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.78 0.00 562 G 9.38 3.42 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 0.00 0.00 0.00 563 G 9.48 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 0.00 0.00 0.00 0.00 564 R 7.52 4.14 0.00 1.79 1.91 0.00 3.27 0.00 0.00 3.20 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.60 0.00 565 G 8.06 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 566 R 8.32 4.10 0.00 1.86 1.95 0.00 3.08 0.00 0.00 3.60 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.59 0.00 567 S 7.52 5.17 0.00 3.85 3.75 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 0.00 568 A 8.55 4.72 1.16 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 0.00 0.00 569 A 8.37 5.08 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 0.00 570 S 9.35 4.69 0.00 3.76 3.57 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 0.00 0.00 0.00 0.00 571 T 8.45 4.55 4.23 0.00 0.00 0.00 0.00 0.00 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 0.00 572 K 8.00 3.70 0.00 1.84 1.88 0.00 1.92 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.48 1.41 7.81 573 E 7.56 3.90 0.00 2.01 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 2.25 0.00 574 E 8.14 4.18 0.00 2.13 2.00 0.00 0.00 0.00 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 2.43 0.00 575 D 8.45 4.65 0.00 2.71 2.63 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 0.00 576 F 7.63 5.16 0.00 3.15 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 0.00 577 I 8.52 4.53 1.89 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 0.53 0.97 0.00 0.00 578 D 8.94 5.06 0.00 2.93 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 0.00 579 Q 7.63 4.27 0.00 1.44 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.88 0.00 0.00 0.00 0.00 0.00 2.19 2.25 0.00 580 L 7.27 4.83 0.00 1.38 1.23 0.67 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 581 W 9.38 5.07 0.00 3.22 2.80 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 0.00 0.00 0.00 582 L 8.64 4.96 0.00 1.60 1.58 0.94 0.92 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 0.00 583 V 8.84 4.58 2.19 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 0.59 0.00 0.00 0.96 0.00 0.00 584 N 9.14 4.79 0.00 2.79 2.98 0.00 0.00 7.61 6.83 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 0.00 585 T 8.62 3.85 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 586 H 8.10 4.55 0.00 3.06 3.35 0.00 5.89 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 587 D 8.11 4.75 0.00 2.64 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 0.00 588 T 8.81 4.86 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 1.44 0.00 0.00 589 L 8.86 4.55 0.00 1.28 1.20 0.58 0.15 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 0.00 590 L 8.75 4.34 0.00 1.65 1.48 0.47 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 591 T 8.40 5.04 4.20 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 1.21 0.00 0.00 592 F 9.59 5.26 0.00 2.86 2.95 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 0.00 593 T 8.68 5.06 4.62 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 1.43 0.00 0.00 594 S 9.10 3.99 0.00 3.91 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 0.00 595 S 8.21 4.65 0.00 4.16 3.93 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 0.00 596 G 8.51 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 0.00 597 K 7.83 5.08 0.00 1.80 1.54 0.00 1.75 0.00 0.00 1.92 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.45 7.81 598 V 7.96 4.39 1.52 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 0.41 0.00 0.00 -0.43 0.00 0.00 599 F 8.77 5.12 0.00 2.91 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 0.00 600 W 9.33 4.94 0.00 3.27 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 0.00 601 L 8.83 4.45 0.00 1.53 1.27 0.47 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 602 P 0.00 4.46 0.00 2.23 1.99 0.00 3.62 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.14 0.00 603 V 8.60 3.45 2.12 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 0.88 0.00 0.00 0.83 0.00 0.00 604 H 8.09 4.24 0.00 3.31 3.30 0.00 5.78 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 605 Q 7.87 4.27 0.00 2.24 2.57 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 2.55 2.42 0.00 606 L 7.33 4.23 0.00 1.71 1.56 0.77 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 607 P 0.00 4.60 0.00 2.19 2.28 0.00 3.81 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.19 0.00 608 E 8.71 4.93 0.00 2.02 1.92 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 2.29 2.34 0.00 609 A 8.54 4.58 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 610 G 8.53 3.88 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 0.00 0.00 0.00 611 S 7.88 4.41 0.00 3.97 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 612 N 8.00 4.59 0.00 2.71 2.90 0.00 0.00 6.74 7.35 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 0.00 613 A 7.61 4.81 1.22 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 0.00 0.00 614 R 8.49 4.14 0.00 1.65 1.87 0.00 2.21 0.00 0.00 2.85 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.72 0.00 615 G 8.31 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 0.00 0.00 0.00 0.00 616 R 8.57 4.93 0.00 2.21 1.88 0.00 3.24 0.00 0.00 3.21 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.80 0.00 617 P 0.00 4.42 0.00 2.25 1.76 0.00 3.63 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.77 0.00 618 I 8.65 4.06 1.93 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 1.38 0.84 0.91 0.00 0.00 619 I 7.71 3.97 1.80 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.48 0.86 0.00 0.00 620 N 8.11 4.16 0.00 2.29 2.03 0.00 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0.00 0.00 0.79 0.00 0.00 637 R 8.76 4.38 0.00 1.66 1.82 0.00 3.03 0.00 0.00 2.91 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.55 0.00 638 E 7.36 4.47 0.00 2.04 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 2.12 2.24 0.00 639 Y 8.09 4.44 0.00 2.93 2.95 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 0.00 640 A 7.39 4.11 1.21 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 0.00 0.00 641 D 8.35 4.43 0.00 2.67 2.53 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 0.00 642 N 8.80 4.32 0.00 2.89 2.97 0.00 0.00 6.80 7.25 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 0.00 643 R 7.00 4.91 0.00 1.79 1.72 0.00 3.22 0.00 0.00 3.28 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.66 0.00 644 Y 8.88 5.23 0.00 2.96 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 0.00 645 V 9.20 4.51 2.12 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 0.51 0.00 0.00 0.57 0.00 0.00 646 F 9.24 5.10 0.00 3.12 2.84 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 0.00 647 M 8.28 5.19 0.00 1.86 1.74 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.18 0.00 648 A 9.26 5.26 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 649 T 8.68 4.90 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 1.46 0.00 0.00 650 R 9.25 3.90 0.00 1.81 2.16 0.00 3.10 0.00 0.00 3.19 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.64 0.00 651 N 8.30 4.59 0.00 2.92 2.84 0.00 0.00 7.33 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 0.00 652 G 8.34 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 0.00 0.00 0.00 653 T 7.62 4.85 4.25 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 670 K 7.82 4.71 0.00 1.85 1.67 0.00 1.95 0.00 0.00 1.61 0.00 0.00 2.79 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.38 1.51 7.81 671 I 8.38 4.11 1.86 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 1.51 0.86 0.89 0.00 0.00 672 A 9.17 4.80 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 673 I 7.44 4.64 1.92 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.23 0.96 0.00 0.00 674 N 9.05 4.71 0.00 2.91 2.72 0.00 0.00 6.98 6.17 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 0.00 675 L 8.38 4.67 0.00 1.69 1.58 1.08 1.14 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 0.00 676 D 8.33 4.56 0.00 2.71 2.59 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 0.00 677 E 8.50 4.12 0.00 1.93 1.86 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 2.30 2.26 0.00 678 G 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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 0.00 0.00 0.00 821 V 8.54 4.34 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.88 0.00 0.00 822 L 8.42 4.65 0.00 1.58 1.56 0.86 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 823 L 8.63 4.67 0.00 1.62 1.59 0.90 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 824 G 10.02 3.88 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 0.00 0.00 0.00 825 S 8.59 4.25 0.00 4.02 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 0.00 826 T 7.68 4.44 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 0.00 827 D 7.58 4.69 0.00 2.65 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 0.00 828 E 9.06 4.61 0.00 1.87 1.82 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 2.30 2.42 0.00 829 V 9.24 4.94 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 0.68 0.00 0.00 0.88 0.00 0.00 830 M 9.18 5.22 0.00 1.58 1.84 0.00 0.00 0.00 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.21 0.00 831 L 8.78 5.12 0.00 1.48 1.49 0.86 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 832 I 8.93 5.10 1.92 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.67 0.98 0.00 0.00 833 S 8.90 5.02 0.00 4.00 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 0.00 834 D 8.96 4.84 0.00 2.71 2.83 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 0.00 835 G 8.35 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 0.00 836 G 7.86 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 0.00 837 T 7.64 4.28 4.22 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 1.18 0.00 0.00 838 L 8.83 5.04 0.00 1.62 1.36 0.34 0.21 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 0.00 839 V 8.46 4.86 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 0.62 0.00 0.00 0.85 0.00 0.00 840 R 8.64 5.02 0.00 1.64 1.69 0.00 2.97 0.00 0.00 3.02 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.41 0.00 841 T 8.48 5.06 4.19 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 1.21 0.00 0.00 842 R 8.11 4.34 0.00 1.92 1.81 0.00 3.11 0.00 0.00 3.15 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.56 0.00 843 G 9.58 3.57 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 844 S 7.96 4.28 0.00 3.93 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 0.00 845 E 7.88 4.36 0.00 2.07 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.36 0.00 846 I 7.45 4.27 1.91 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 1.25 0.46 0.87 0.00 0.00 847 S 8.47 4.20 0.00 3.77 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 0.00 848 R 8.41 5.37 0.00 1.68 1.92 0.00 3.22 0.00 0.00 3.31 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.21 0.00 849 V 8.33 4.51 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 0.81 0.00 0.00 0.95 0.00 0.00 850 G 8.54 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 0.00 851 R 8.35 3.94 0.00 1.87 1.67 0.00 2.57 0.00 0.00 2.74 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.41 0.00 852 N 7.71 4.84 0.00 2.66 2.76 0.00 0.00 6.72 7.70 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 0.00 853 T 7.12 4.75 4.47 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 1.25 0.00 0.00 854 Q 8.64 4.16 0.00 2.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.78 0.00 0.00 0.00 0.00 0.00 2.22 2.29 0.00 855 G 8.00 3.88 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 0.00 0.00 0.00 856 V 8.35 4.56 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 1.10 0.00 0.00 0.96 0.00 0.00 857 T 8.60 3.89 4.21 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 1.00 0.00 0.00 858 L 8.42 4.67 0.00 1.51 1.54 0.89 0.71 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 0.00 859 I 7.15 4.37 1.79 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 1.34 1.37 0.81 0.00 0.00 860 R 8.49 4.21 0.00 1.78 1.82 0.00 3.20 0.00 0.00 3.20 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.55 0.00 861 L 8.12 4.75 0.00 1.57 1.66 0.87 0.90 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 0.00 862 S 8.97 4.64 0.00 3.94 4.02 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 0.00 863 K 8.57 4.23 0.00 1.77 1.79 0.00 1.90 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.44 7.81 864 G 8.52 4.07 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 0.00 0.00 0.00 865 E 7.98 4.78 0.00 1.94 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 2.20 2.23 0.00 866 K 9.26 4.74 0.00 1.79 1.78 0.00 1.74 0.00 0.00 1.59 0.00 0.00 3.11 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.35 1.34 7.81 867 L 8.41 4.17 0.00 1.64 1.60 0.96 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 868 Q 9.16 4.40 0.00 2.08 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.40 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 869 A 7.52 4.66 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 0.00 870 V 8.39 4.81 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 0.82 0.00 0.00 0.92 0.00 0.00 871 E 9.33 4.94 0.00 1.97 1.88 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 2.32 2.65 0.00 872 R 8.23 5.01 0.00 1.73 1.69 0.00 3.27 0.00 0.00 3.10 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.59 0.00 873 L 9.12 4.57 0.00 1.67 1.41 0.94 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 874 D 8.81 4.92 0.00 2.84 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 0.00 875 A 8.43 4.70 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 876 S 9.14 4.42 0.00 3.96 4.02 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 0.00 877 L 7.55 4.29 0.00 1.56 1.49 0.92 0.84 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 * Residues marked with a * may have inaccurate shift predictions.