NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 514 G 3.9905 8.3544 108.0312 46.0376 0.0000 173.3127 515 K 4.5185 8.0028 121.5857 53.2345 34.4350 174.8236 516 F 4.6826 9.2470 129.6131 59.2018 40.5613 173.6523 517 S 4.1679 8.5455 120.8024 55.8507 64.2389 174.3449 518 R 3.5988 8.2302 128.1751 59.0937 29.8115 178.0406 519 A 3.8361 7.6961 120.0649 54.9743 18.4438 178.8639 520 L 3.7804 7.5989 118.8347 58.3039 42.0420 178.6982 521 K 2.0000 7.4425 119.1210 59.3487 31.9083 178.2694 522 N 4.2019 8.0470 116.3350 56.1549 38.1938 177.8128 523 R 3.8454 7.8251 118.7441 59.2891 30.5324 178.8373 524 L 4.2203 8.0440 119.0388 57.8788 41.8089 179.2881 525 E 4.2079 8.3567 118.1609 58.4098 29.1716 179.1226 526 S 4.1605 7.8823 113.9113 60.9748 62.9074 175.5955 527 A 4.2975 7.7722 122.1998 51.8877 19.2392 177.2683 528 N 4.6758 7.2830 115.0575 54.2070 39.3002 173.6116 529 Y 4.6832 8.9456 118.5343 56.5341 41.5538 173.7164 530 E 3.8739 8.9471 116.3405 57.2838 26.8821 174.9599 531 E 4.3187 7.8751 118.0629 56.5758 30.9427 176.9285 532 V 4.4665 9.1971 126.2474 61.1352 35.4627 173.2470 533 E 5.0112 8.8055 128.0678 54.8558 30.9023 174.8729 534 L 4.8874 9.1377 127.3803 51.8850 45.0530 174.2450 535 P 4.8654 0.0000 0.0000 62.1546 32.2460 174.1302 536 P 4.6281 0.0000 0.0000 61.9121 31.6830 175.0740 537 P 4.5321 0.0000 0.0000 62.1858 32.4342 176.6695 538 S 4.2735 8.7182 115.2796 61.2247 63.0555 173.9586 539 K 5.0324 6.5483 116.5230 56.2358 34.8648 174.0600 540 G 4.2316 8.0094 105.2139 46.8440 0.0000 172.5121 541 V 4.8110 7.9472 117.5577 60.4173 35.1548 173.6823 542 I 5.0594 8.5937 123.3816 60.0523 39.4957 175.0046 543 V 5.1668 8.9124 118.6617 57.7898 35.9720 173.0636 544 P 5.1286 0.0000 0.0000 62.1106 33.1721 175.1900 545 V 4.3809 8.6455 120.9691 61.1200 34.7843 174.1245 546 V 4.6001 8.2457 126.9348 61.5801 33.2371 174.1845 547 H 4.8543 9.1145 126.4560 54.2496 30.6761 173.9874 548 T 5.1227 8.2363 111.8958 60.2064 72.4335 173.5479 549 V 4.4641 8.2563 123.0164 60.4522 34.4095 176.5133 550 K 3.8449 9.0202 125.3547 57.9098 31.4527 175.5302 551 S 4.4400 8.0582 109.8746 59.1181 63.7869 174.0843 552 A 4.7408 8.0477 124.2389 49.7080 18.4350 173.8715 553 P 4.2998 0.0000 0.0000 63.2601 32.6029 177.5661 554 G 3.9553 8.8922 107.4769 46.2277 0.0000 172.1867 555 E 5.2549 7.8479 117.7783 54.3629 32.1289 175.2789 556 A 5.1324 8.9042 123.8692 50.9468 23.4619 174.6751 557 F 5.3287 8.6770 112.9628 55.9013 41.6693 173.5559 558 G 4.9756 9.0866 106.7443 45.3523 0.0000 172.2930 559 S 5.0001 8.3053 113.9054 56.9314 67.4012 171.9781 560 L 5.2724 8.5782 117.7896 53.0655 44.6934 175.7624 561 A 5.2134 9.1286 124.1083 50.0890 22.6210 174.6888 562 I 4.9338 8.9922 120.9840 59.2494 41.3545 174.2100 563 I 5.1254 8.9258 130.7549 59.7687 38.9580 174.7565 564 I 5.1446 8.8979 120.3401 58.3084 41.1817 173.3459 565 P 4.6713 0.0000 0.0000 63.5932 32.1055 175.6825 566 G 3.5340 8.6399 108.8195 44.8193 0.0000 173.1553 567 E 4.4926 7.7850 117.9410 54.9710 30.6372 176.6530 568 Y 5.0298 8.7522 125.4674 55.0921 38.9013 176.1152 569 P 3.8045 0.0000 0.0000 65.5875 31.2694 178.4342 570 E 3.9911 7.8739 115.9417 58.2538 29.6841 177.9401 571 L 4.2889 7.8178 118.3305 55.3303 42.1596 176.4940 572 L 4.6096 7.3638 119.0846 52.4090 43.4853 175.9227 573 D 4.4960 8.5657 120.7705 54.6417 41.7861 177.5723 574 A 4.0490 8.7207 127.4936 55.0456 18.6198 178.9359 575 N 4.6339 8.2769 111.5900 54.8889 38.9076 175.6497 576 Q 4.5667 8.2130 116.9365 55.8614 30.2571 175.8752 577 Q 4.9050 7.5943 118.4083 55.0285 26.9557 174.9945 578 V 4.6412 7.7988 119.3444 60.8233 36.1143 173.5202 579 L 4.5310 8.2396 127.8675 53.2418 44.0279 175.4851 580 S 4.6663 8.4459 121.8853 56.9302 66.4956 172.8404 581 H 5.2536 8.7735 118.2515 53.9476 32.1436 173.8701 582 F 4.7038 8.7679 120.3070 56.5755 39.9218 175.1885 583 A 3.9446 8.8784 122.5709 53.4495 18.3928 179.4610 584 N 3.8677 8.8407 116.5176 54.8258 37.0777 176.3907 585 D 4.9325 8.5781 115.5107 54.1150 40.7292 175.7998 586 T 4.4791 7.8589 107.8473 61.2104 70.2104 173.9891 587 G 4.0196 8.9693 107.9905 45.4223 0.0000 172.5815 588 S 5.0238 8.4593 112.4798 57.3793 68.0642 173.6850 589 V 5.0527 8.6562 121.1298 60.8091 34.2939 174.7751 590 W 4.6492 9.2815 129.1906 58.0973 29.9612 177.3998 591 G 4.5029 9.9584 113.2602 45.9912 0.0000 172.6562 592 I 4.7230 7.4037 120.4278 59.5771 38.7542 175.7513 593 G 3.8772 8.8122 113.8849 45.8557 0.0000 173.1772 594 E 4.7340 7.5518 118.4173 54.1568 32.8721 175.6644 595 D 4.3882 8.6214 122.3184 54.3917 42.0907 175.2410 596 I 4.0446 8.6153 122.8593 58.4648 39.6566 173.9657 597 P 4.8533 0.0000 0.0000 63.0277 32.0377 175.0981 598 F 5.1137 7.1729 115.4886 55.2089 41.1331 173.6147 599 E 4.6775 8.9039 119.8255 55.8971 30.6057 177.6703 600 G 3.3328 8.0423 111.8375 44.5666 0.0000 173.9002 601 D 4.8214 8.1251 117.5957 53.3569 40.0061 175.9103 602 N 3.9207 7.6392 116.8666 55.1211 36.0755 172.9466 *604 C 4.6344 7.6500 116.7350 59.6793 30.4206 172.2134 605 Y 5.3813 8.9436 118.7881 56.6547 42.4089 174.3823 606 T 5.3250 9.3141 117.3249 61.9238 72.3968 172.9657 607 A 5.0882 9.1808 128.4019 50.6091 20.3848 176.2630 608 L 4.8327 8.9120 122.8933 52.1876 45.6852 174.5960 609 P 4.5906 0.0000 0.0000 63.3580 32.4504 174.9168 610 L 4.4651 8.9806 128.3101 54.1199 41.9107 175.8949 611 K 4.2935 9.2490 129.3384 58.7614 33.1672 176.5657 612 E 4.9208 7.7195 117.5865 56.0909 33.1541 174.3049 613 I 4.4852 8.2735 127.1973 59.5474 38.0535 176.0753 614 K 4.2124 8.6704 125.9879 56.0754 32.5443 178.6943 615 R 3.9009 8.5837 121.2085 59.3542 30.0836 177.7063 616 N 4.4815 8.0269 112.6788 53.4631 37.6493 175.5264 617 G 4.0544 8.2523 108.0543 45.3434 0.0000 174.0764 618 N 4.7205 8.4541 117.5478 53.5622 39.8469 174.0836 619 I 4.9086 8.3947 114.5606 59.1395 41.2490 174.3381 620 V 4.7096 8.7186 124.4200 61.4729 33.6212 175.0695 621 V 5.2114 8.7049 120.8223 59.0847 35.0485 174.1855 622 E 5.0705 8.1969 118.7618 54.6936 33.1047 174.1751 623 K 4.5219 8.9704 119.4702 55.0578 33.9122 176.2812 624 I 4.9171 8.0545 115.6559 59.2995 40.9585 175.3723 625 F 4.6697 9.0419 126.5405 57.2024 38.0695 174.2061 626 A 4.1227 7.4927 128.3430 50.8303 21.7178 175.6751 627 G 3.8373 8.1773 109.1741 44.2816 0.0000 171.5198 628 P 4.5490 0.0000 0.0000 62.2133 32.1427 176.9944 629 I 3.8055 8.4137 122.3000 61.4112 38.3569 175.6858 *631 G 4.0876 8.3987 111.0307 45.8113 0.0000 170.9719 632 P 4.6910 0.0000 0.0000 62.9439 32.1750 177.0710 633 S 4.4837 7.8686 113.3616 59.0593 63.5188 174.9056 634 A 4.4314 7.7565 122.6221 53.2427 18.7003 179.1511 635 Q 4.1723 8.0214 117.4488 58.5846 28.7575 178.4088 636 L 4.0166 8.2112 121.5698 58.1398 42.1291 179.2059 637 G 3.5982 8.1449 105.0179 47.8653 0.0000 175.3317 638 L 4.0265 8.3313 122.0622 57.5329 41.7745 179.4524 639 S 3.9260 8.8067 113.4782 61.3972 62.1548 176.3433 640 L 3.9523 7.7147 121.5344 57.5246 41.0898 178.8360 641 L 3.8467 7.6425 119.3753 58.3669 41.9972 178.9815 642 V 4.1731 7.5041 109.2784 62.3786 32.0164 177.1063 643 N 4.8104 7.9130 114.4337 53.4010 40.1025 175.1053 644 D 4.7184 8.2341 118.2684 55.0433 43.4341 176.5102 645 I 4.1636 7.6126 119.4889 60.6289 37.9913 174.6167 646 E 4.5418 8.9557 123.8360 57.1611 31.4724 176.2079 647 D 4.8520 7.6630 116.6520 53.2387 44.0470 177.0708 648 G 3.8759 9.2032 114.2629 44.6040 0.0000 171.5692 649 V 4.7249 7.9959 117.7019 60.0159 33.2914 173.9415 650 P 4.4198 0.0000 0.0000 63.0097 31.8025 177.6294 651 R 4.0806 8.2232 123.2911 54.8759 28.7505 174.1644 *653 V 3.8680 7.5785 118.5654 62.5437 33.0929 173.5522 654 F 5.1881 8.9144 127.1723 56.4647 40.9186 174.9293 655 T 4.9232 10.0715 118.0088 59.0182 70.2497 173.1668 656 G 4.4029 8.0780 120.6276 44.8108 0.0000 171.0052 657 E 4.8479 8.0644 122.5746 55.5251 31.3757 175.0663 658 I 4.9183 8.3837 126.1125 59.5143 38.8762 175.7518 659 A 4.2770 8.6783 129.0740 51.6381 19.3102 178.0003 660 D 4.3768 8.8089 118.4626 57.5532 40.8468 178.0576 661 D 4.4284 8.0837 116.2940 53.7901 39.5400 175.9617 662 E 3.7767 8.1763 118.2056 57.2534 27.9652 174.6683 663 E 4.5895 9.1188 119.0946 56.2356 33.7250 175.5722 664 T 4.5476 8.2719 115.8277 63.1366 70.1965 173.9242 665 I 4.8215 8.2435 126.3155 59.8635 38.9302 175.0847 666 I 4.3471 8.7722 129.7982 59.4401 38.4654 174.4037 667 P 5.0503 0.0000 0.0000 62.7815 32.4210 174.6282 668 I 4.6896 8.8118 113.3867 58.9998 40.6460 174.3493 669 C 4.3080 8.5112 118.1058 60.0701 29.2843 173.9345 670 G 3.6948 8.6761 110.7747 46.8768 0.0000 175.4315 671 V 3.6311 7.6126 113.6359 64.4794 32.0887 178.1537 672 D 4.4341 8.0085 118.1851 57.2601 40.6260 178.7590 673 I 3.7603 7.7239 119.7577 64.2905 37.2748 178.0117 674 A 3.9904 7.8333 121.4183 55.1596 18.1017 179.5924 675 A 3.7798 8.3453 119.6621 55.1988 18.4517 179.9360 676 I 3.4980 7.5280 117.6436 64.2730 37.0943 178.5330 677 A 4.1210 7.7981 121.0023 55.1129 18.2821 179.1167 678 A 3.9318 7.7632 119.2835 56.1359 18.5363 179.7796 679 H 4.3061 8.1302 113.9903 58.7815 28.5027 177.7413 680 E 4.1787 8.2200 119.3188 58.1495 29.6847 178.0066 681 Q 4.5765 7.6002 116.5758 54.9330 28.9918 176.5765 682 G 3.9082 7.8111 107.7638 45.6793 0.0000 173.2721 683 L 4.9223 7.5993 118.5579 51.7064 43.9707 174.9049 684 P 4.6551 0.0000 0.0000 62.7792 32.6503 175.0228 685 L 4.6681 9.0135 124.0689 53.7768 44.1080 175.0362 686 I 4.8780 8.0768 126.7839 58.5463 40.4002 175.7442 687 G 3.6864 7.5831 112.6755 46.2805 0.0000 171.0365 688 N 5.3148 8.2512 113.1138 50.6024 38.5302 174.1011 689 Q 4.5702 7.5514 113.8146 54.6293 32.2006 172.8063 690 P 4.3508 0.0000 0.0000 64.0996 31.9234 175.8484 691 G 4.0832 8.8842 108.9484 45.9278 0.0000 174.6521 692 V 3.9471 6.8433 110.3293 61.0953 32.2280 175.8203 693 D 4.6372 8.8374 121.6379 56.8002 41.2329 177.4134 694 E 4.6135 7.8472 117.9543 55.0236 33.7000 174.4548 695 E 5.2677 8.7735 124.3651 55.1260 29.9566 176.4720 696 V 4.4201 8.2837 118.1313 60.2254 34.4750 177.6312 697 R 4.3016 8.9609 124.9627 58.6501 29.6991 172.5541 698 N 5.0157 7.4779 113.3065 51.4519 41.5027 175.4064 699 T 3.8167 8.5114 111.0210 64.5521 68.5633 176.5370 700 S 4.1240 8.1752 116.1097 61.4907 62.4381 176.2001 701 L 4.0836 8.2998 121.3825 57.3336 41.2350 179.1720 702 A 4.0556 7.8069 120.8163 55.2956 18.3577 179.5496 703 A 3.8789 8.0048 119.1136 55.3861 18.3890 179.0916 704 H 4.0487 8.2115 116.8123 59.5994 29.9596 177.0573 705 L 4.0007 8.3212 123.4989 57.6595 41.6176 179.0003 706 I 3.8134 7.9900 119.1979 64.4390 37.1000 178.1330 707 Q 4.1585 7.8174 118.1762 59.2179 29.0131 178.7077 708 T 4.0283 8.1790 110.6110 62.6476 68.6616 176.4067 709 G 4.2985 8.0158 113.8833 45.4369 0.0000 173.2565 710 T 4.6463 7.2694 106.4845 58.7323 71.9532 172.7800 711 L 4.1402 8.2540 123.7804 53.7747 42.5572 174.7211 712 P 4.3493 0.0000 0.0000 62.8983 31.9033 175.8067 713 V 4.4079 8.1390 120.7608 59.8879 33.5157 174.9689 714 Q 4.5341 8.5120 120.9312 54.2427 30.4641 175.5051 715 R 4.3644 8.4085 120.9503 54.4302 32.4849 175.0939 716 A 4.2550 8.5551 124.9032 52.1938 18.9463 176.7491 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 514 G 8.35 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 0.00 515 K 8.00 4.52 0.00 1.89 1.84 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.51 7.81 516 F 9.25 4.68 0.00 3.11 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 0.00 517 S 8.55 4.17 0.00 3.77 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 518 R 8.23 3.60 0.00 2.01 1.86 0.00 3.58 0.00 0.00 3.45 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.74 0.00 519 A 7.70 3.84 1.26 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 0.00 0.00 0.00 520 L 7.60 3.78 0.00 1.95 1.83 0.99 1.01 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 0.00 521 K 7.44 2.00 0.00 1.46 1.63 0.00 1.86 0.00 0.00 1.63 0.00 0.00 3.12 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.13 1.05 7.81 522 N 8.05 4.20 0.00 2.66 2.78 0.00 0.00 7.15 8.05 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 0.00 523 R 7.83 3.85 0.00 1.85 1.97 0.00 3.15 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.78 0.00 524 L 8.04 4.22 0.00 1.80 1.92 1.19 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 525 E 8.36 4.21 0.00 2.01 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 2.51 2.27 0.00 526 S 7.88 4.16 0.00 4.02 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 0.00 527 A 7.77 4.30 1.38 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 0.00 0.00 528 N 7.28 4.68 0.00 2.90 3.02 0.00 0.00 6.75 7.16 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 0.00 529 Y 8.95 4.68 0.00 3.18 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 530 E 8.95 3.87 0.00 1.81 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 2.36 2.47 0.00 531 E 7.88 4.32 0.00 1.97 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 2.28 2.30 0.00 532 V 9.20 4.47 2.02 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 0.82 0.00 0.00 0.91 0.00 0.00 533 E 8.81 5.01 0.00 1.99 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 2.19 2.30 0.00 534 L 9.14 4.89 0.00 1.49 1.41 0.68 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 535 P 0.00 4.87 0.00 2.07 2.06 0.00 3.69 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.99 0.00 536 P 0.00 4.63 0.00 1.97 2.04 0.00 3.68 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.99 0.00 537 P 0.00 4.53 0.00 2.48 2.11 0.00 3.80 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.99 0.00 538 S 8.72 4.27 0.00 4.06 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 0.00 539 K 6.55 5.03 0.00 2.00 1.99 0.00 1.41 0.00 0.00 1.81 0.00 0.00 3.21 0.00 0.00 3.31 0.00 0.00 0.00 0.00 1.44 1.56 7.81 540 G 8.01 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 0.00 0.00 0.00 0.00 541 V 7.95 4.81 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 0.87 0.00 0.00 1.11 0.00 0.00 542 I 8.59 5.06 1.90 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 1.38 0.77 0.93 0.00 0.00 543 V 8.91 5.17 2.13 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 0.91 0.00 0.00 0.96 0.00 0.00 544 P 0.00 5.13 0.00 2.06 2.02 0.00 3.73 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.95 0.00 545 V 8.65 4.38 2.02 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 0.71 0.00 0.00 0.92 0.00 0.00 546 V 8.25 4.60 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 0.79 0.00 0.00 0.89 0.00 0.00 547 H 9.11 4.85 0.00 1.40 2.63 0.00 5.61 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 548 T 8.24 5.12 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 0.00 549 V 8.26 4.46 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 0.00 550 K 9.02 3.84 0.00 1.79 1.80 0.00 1.80 0.00 0.00 1.76 0.00 0.00 2.77 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.03 7.81 551 S 8.06 4.44 0.00 3.99 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 0.00 552 A 8.05 4.74 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 553 P 0.00 4.30 0.00 2.19 2.08 0.00 3.90 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 554 G 8.89 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 0.00 0.00 0.00 555 E 7.85 5.25 0.00 1.92 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.15 0.00 623 K 8.97 4.52 0.00 0.79 1.05 0.00 1.19 0.00 0.00 1.66 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.33 1.03 7.81 624 I 8.05 4.92 1.96 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.71 1.01 0.00 0.00 625 F 9.04 4.67 0.00 3.08 3.16 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 0.00 626 A 7.49 4.12 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 627 G 8.18 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 0.00 628 P 0.00 4.55 0.00 1.92 1.99 0.00 3.65 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.23 0.00 629 I 8.41 3.81 1.85 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 1.15 0.72 0.88 0.00 0.00 *631 G 8.40 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 0.00 0.00 0.00 632 P 0.00 4.69 0.00 2.24 2.28 0.00 3.68 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.93 0.00 633 S 7.87 4.48 0.00 4.04 4.13 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 0.00 634 A 7.76 4.43 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 635 Q 8.02 4.17 0.00 2.50 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.75 0.00 0.00 0.00 0.00 0.00 2.42 2.46 0.00 636 L 8.21 4.02 0.00 1.89 1.73 0.86 1.01 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 0.00 637 G 8.14 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 0.00 0.00 0.00 638 L 8.33 4.03 0.00 2.07 2.06 0.80 0.58 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 0.00 639 S 8.81 3.93 0.00 3.10 3.73 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 0.00 0.00 0.00 0.00 640 L 7.71 3.95 0.00 1.52 1.37 -0.10 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 641 L 7.64 3.85 0.00 1.62 1.84 0.92 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 642 V 7.50 4.17 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 0.54 0.00 0.00 1.08 0.00 0.00 643 N 7.91 4.81 0.00 2.69 2.76 0.00 0.00 6.77 7.89 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 0.00 644 D 8.23 4.72 0.00 2.60 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 0.00 0.00 0.00 0.00 645 I 7.61 4.16 1.86 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 1.42 0.42 1.00 0.00 0.00 646 E 8.96 4.54 0.00 1.93 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 2.21 2.29 0.00 647 D 7.66 4.85 0.00 2.63 2.55 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 0.00 648 G 9.20 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 0.00 649 V 8.00 4.72 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 0.95 0.00 0.00 1.00 0.00 0.00 650 P 0.00 4.42 0.00 2.35 2.15 0.00 3.91 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.20 0.00 651 R 8.22 4.08 0.00 1.79 1.88 0.00 3.41 0.00 0.00 3.16 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.56 0.00 *653 V 7.58 3.87 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 0.94 0.00 0.00 0.87 0.00 0.00 654 F 8.91 5.19 0.00 3.06 2.98 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 0.00 655 T 10.07 4.92 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 1.28 0.00 0.00 656 G 8.08 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 657 E 8.06 4.85 0.00 2.12 1.84 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 2.32 2.54 0.00 658 I 8.38 4.92 1.99 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 1.21 0.79 0.77 0.00 0.00 659 A 8.68 4.28 1.26 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 0.00 0.00 0.00 660 D 8.81 4.38 0.00 2.69 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 0.00 661 D 8.08 4.43 0.00 2.75 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 0.00 662 E 8.18 3.78 0.00 2.07 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.39 0.00 663 E 9.12 4.59 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 2.16 2.12 0.00 664 T 8.27 4.55 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 0.00 665 I 8.24 4.82 1.88 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 1.34 0.55 0.94 0.00 0.00 666 I 8.77 4.35 1.89 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 1.29 0.86 0.92 0.00 0.00 667 P 0.00 5.05 0.00 2.08 2.23 0.00 3.71 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 1.99 1.97 0.00 668 I 8.81 4.69 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 1.31 0.80 0.92 0.00 0.00 669 C 8.51 4.31 0.00 2.98 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 0.00 670 G 8.68 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 671 V 7.61 3.63 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 0.79 0.00 0.00 0.99 0.00 0.00 672 D 8.01 4.43 0.00 2.69 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 0.00 673 I 7.72 3.76 1.91 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.44 1.02 0.00 0.00 674 A 7.83 3.99 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 0.00 675 A 8.35 3.78 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 676 I 7.53 3.50 1.81 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.83 0.60 0.00 0.00 677 A 7.80 4.12 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 0.00 678 A 7.76 3.93 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 0.00 679 H 8.13 4.31 0.00 3.16 3.33 0.00 5.64 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 680 E 8.22 4.18 0.00 2.09 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 2.27 2.70 0.00 681 Q 7.60 4.58 0.00 2.22 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 5.75 0.00 0.00 0.00 0.00 0.00 2.30 2.36 0.00 682 G 7.81 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 0.00 683 L 7.60 4.92 0.00 1.61 1.52 0.91 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 0.00 684 P 0.00 4.66 0.00 2.00 2.01 0.00 3.84 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.91 0.00 685 L 9.01 4.67 0.00 1.71 1.64 0.94 1.09 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 0.00 686 I 8.08 4.88 1.62 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.55 1.00 0.00 0.00 687 G 7.58 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 688 N 8.25 5.31 0.00 2.79 2.73 0.00 0.00 6.69 7.08 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 0.00 689 Q 7.55 4.57 0.00 2.21 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.32 6.73 0.00 0.00 0.00 0.00 0.00 2.17 2.24 0.00 690 P 0.00 4.35 0.00 2.06 2.03 0.00 3.64 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 2.03 2.09 0.00 691 G 8.88 4.08 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 0.00 0.00 0.00 692 V 6.84 3.95 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 0.74 0.00 0.00 1.14 0.00 0.00 693 D 8.84 4.64 0.00 2.63 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 0.00 694 E 7.85 4.61 0.00 1.84 1.79 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 2.28 2.32 0.00 695 E 8.77 5.27 0.00 1.86 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 2.29 2.18 0.00 696 V 8.28 4.42 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 0.90 0.00 0.00 1.02 0.00 0.00 697 R 8.96 4.30 0.00 1.83 1.85 0.00 3.29 0.00 0.00 3.28 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.19 0.00 698 N 7.48 5.02 0.00 3.32 2.91 0.00 0.00 6.56 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 699 T 8.51 3.82 4.12 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 1.14 0.00 0.00 700 S 8.18 4.12 0.00 4.00 4.08 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 0.00 701 L 8.30 4.08 0.00 1.77 1.74 0.95 0.90 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 0.00 702 A 7.81 4.06 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 703 A 8.00 3.88 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.21 4.05 0.00 3.34 3.46 0.00 5.80 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 705 L 8.32 4.00 0.00 1.97 1.89 1.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 706 I 7.99 3.81 2.07 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.95 0.94 0.00 0.00 707 Q 7.82 4.16 0.00 2.23 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 7.02 0.00 0.00 0.00 0.00 0.00 2.62 2.53 0.00 708 T 8.18 4.03 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 1.06 0.00 0.00 709 G 8.02 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 710 T 7.27 4.65 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 1.20 0.00 0.00 711 L 8.25 4.14 0.00 1.62 1.61 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 712 P 0.00 4.35 0.00 2.09 1.99 0.00 3.70 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 2.05 2.08 0.00 713 V 8.14 4.41 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 0.75 0.00 0.00 0.93 0.00 0.00 714 Q 8.51 4.53 0.00 2.03 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.92 0.00 0.00 0.00 0.00 0.00 2.26 2.34 0.00 715 R 8.41 4.36 0.00 1.73 1.82 0.00 3.19 0.00 0.00 3.23 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 716 A 8.56 4.25 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 * Residues marked with a * may have inaccurate shift predictions.