NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 517 D 4.5938 8.2233 120.1902 53.5597 42.3831 179.2341 518 K 3.8370 8.4852 119.7750 57.4466 31.4547 176.0683 519 R 3.9237 8.3370 119.5172 59.4063 29.8750 177.8815 520 R 3.8101 7.8770 117.9899 59.2578 30.4533 178.1027 521 K 4.0858 7.8518 118.9606 59.8515 32.3376 178.7180 522 T 3.8515 8.3145 116.4721 66.5929 68.3392 176.4529 523 L 3.9894 7.9435 120.9251 57.7527 41.4514 179.9217 524 V 3.5916 7.6846 118.3012 65.9636 31.5265 177.9903 525 I 3.7143 7.7723 119.0959 64.4774 36.8450 178.2476 526 I 3.7384 7.8327 120.3392 64.5051 36.9440 178.2528 527 E 3.9861 8.1691 119.2752 59.3167 29.4563 179.1566 528 K 3.8505 8.3435 119.9034 60.2402 32.2016 178.8804 529 T 4.0698 8.0433 115.6435 66.4919 68.3797 176.3445 530 Y 3.9279 8.8728 122.8083 60.6495 38.8127 178.0275 531 S 4.1606 8.4990 114.2705 61.4749 62.4821 176.1380 532 L 3.9347 7.5358 120.6885 57.4914 41.2699 179.2192 533 L 3.6657 7.6653 120.2058 58.1883 41.9817 179.0107 534 L 4.0411 7.5881 118.8130 57.7546 41.6367 179.0627 535 D 4.2618 7.8142 117.4544 57.4591 41.0981 178.5952 536 V 3.4564 7.5488 118.6853 65.9060 31.4272 177.8212 537 E 4.4155 8.5031 118.7048 58.9271 29.2678 178.8347 538 D 4.3145 8.2202 118.7762 57.4648 41.3667 177.5888 539 Y 3.9821 7.9237 119.7209 60.6421 38.8088 177.5612 540 E 4.0507 8.2406 120.0951 59.2111 29.8347 178.7301 541 R 3.8768 8.1393 118.6639 59.7534 30.0781 178.8821 542 R 3.9575 7.8905 116.4124 59.0819 30.0456 178.1290 543 Y 3.9475 7.6722 118.9448 60.2792 38.8488 177.1923 544 L 4.2539 8.0247 119.1727 56.5893 41.8599 177.2526 545 L 4.7107 7.4656 117.9352 54.1483 42.5111 177.4167 546 S 4.5366 7.3252 111.1738 56.8925 62.5636 175.2971 547 L 3.8894 7.9001 120.1389 57.2333 41.8820 177.3131 548 E 4.2790 7.4911 118.8620 55.9544 30.9267 176.8703 549 E 3.8771 8.5782 117.3499 56.1756 28.2509 174.7017 550 E 3.6921 7.1250 117.4462 57.2450 27.5727 175.0237 551 R 4.6070 7.3969 117.6733 53.5630 32.3081 173.6705 552 P 4.4323 0.0000 0.0000 62.4342 31.9903 175.9834 553 A 4.2607 8.6096 125.2340 52.3719 18.7573 178.3105 554 L 4.4294 8.6728 124.6637 53.8659 40.5082 176.3302 555 M 4.1724 7.8748 120.7372 55.0736 33.2729 177.9639 556 D 4.3543 8.1112 118.6032 57.1932 40.9945 177.2223 557 D 4.6514 7.7732 115.7684 55.1381 41.8289 178.1098 558 R 4.0704 7.6377 118.9578 58.1354 30.0492 178.4435 559 K 3.8260 8.0527 118.7080 60.3776 32.0686 178.0990 560 H 4.4278 8.1289 114.0357 56.9543 28.5742 177.1483 561 K 3.9532 8.0323 122.4054 59.0300 32.1151 178.9356 562 I 3.6642 7.3387 120.2298 64.7631 37.1140 178.2390 563 C 4.2582 8.0787 116.8709 63.0110 27.9728 176.2545 564 S 4.2435 7.6975 115.4277 61.8116 62.1423 176.6991 565 M 4.1216 7.9141 120.6306 58.3767 31.9987 177.8351 566 Y 4.3905 8.2311 119.6932 60.9038 39.1464 177.7238 567 D 4.2014 8.6967 120.0833 57.6424 40.7737 178.7366 568 N 4.4962 8.1149 115.0334 55.5760 38.5691 176.7337 569 L 4.5569 7.6330 119.2453 56.4227 42.0700 176.5849 570 R 4.2359 7.4004 115.5452 55.6259 33.3660 174.4293 571 G 3.4015 7.4681 104.6885 44.9634 0.0000 172.5444 572 K 3.6733 7.5067 119.5768 56.4304 33.4484 175.2859 *578 R 4.1321 8.1250 119.7734 55.2686 30.4941 172.8225 579 P 4.5978 0.0000 0.0000 61.4507 32.6973 175.9315 580 S 4.3208 8.2894 114.5911 58.3083 63.1313 174.5203 581 D 4.7708 8.5570 122.5482 55.6575 40.4944 178.1423 582 D 4.3621 7.7144 119.5461 57.7677 40.8945 177.7525 583 H 3.9882 8.3816 117.8495 59.6439 29.7464 176.7661 584 F 4.4063 8.2765 121.4783 61.2544 39.1649 177.0764 585 V 3.5321 8.1614 117.1235 66.0871 31.6660 177.4347 586 Q 4.1816 8.1925 117.7750 59.3318 28.7182 179.2365 587 I 3.6722 7.2405 119.0199 64.5223 36.8936 177.5646 588 M 4.1674 7.3305 116.0188 56.1049 31.7512 177.1352 589 C 4.3540 7.5648 117.8925 60.0403 29.8402 174.8558 590 I 3.9881 7.0745 121.7142 60.2381 38.5096 176.1217 591 R 3.7909 8.6339 124.9601 59.8460 29.8227 178.5634 592 K 4.0389 8.0877 118.5784 59.1577 32.0522 178.5750 593 G 4.0893 7.8069 107.5418 47.1498 0.0000 175.7416 594 K 3.9036 7.8710 120.8079 59.1708 31.9705 179.5072 595 R 3.8898 7.5212 116.4554 59.3344 30.1312 178.6468 596 M 4.2285 8.4450 118.3688 58.8252 32.4135 178.2924 597 V 3.6321 8.1394 118.4612 66.1915 31.3958 177.7706 598 A 3.8969 8.0623 119.4497 54.6358 18.1924 178.9705 599 R 4.2779 7.9817 115.3698 57.8527 31.0298 178.5156 600 I 4.2313 7.6187 119.4370 63.6975 37.2008 177.6864 601 L 4.0144 7.8676 120.5063 57.5615 41.3816 177.8734 602 P 4.2115 0.0000 0.0000 65.0942 31.2287 177.5293 603 F 4.4983 7.8328 116.7062 58.3409 39.3533 175.9593 604 L 4.4235 7.2415 118.4920 53.7883 42.4471 177.3445 605 S 4.3634 8.4047 116.5851 58.2382 65.0108 175.5735 606 T 3.8092 8.3133 118.7375 66.9060 68.1482 176.6666 607 E 3.9163 8.0128 119.7962 59.4577 29.6212 179.1664 608 Q 3.5191 7.5485 117.6488 58.8790 28.6051 178.9560 609 A 4.0995 8.1820 121.5545 54.9877 18.3993 179.5415 610 A 3.9118 8.2457 119.5828 55.2342 18.3674 179.3252 611 D 4.2723 8.2050 116.5669 57.6084 41.3562 178.5832 612 I 3.4055 7.7691 120.2297 64.2049 37.1268 178.2540 613 L 3.6827 8.2838 121.4414 58.1478 41.8778 178.8447 614 M 4.0159 8.4327 119.0526 58.9006 31.7272 179.0072 615 T 3.9630 7.9998 114.7693 66.5465 68.6043 176.9074 616 T 4.3218 8.0376 117.7443 66.8212 68.5731 176.7058 617 A 4.0539 8.1199 122.6719 55.0512 18.1246 179.5531 618 R 3.9912 8.0774 116.6358 58.7023 30.3051 177.0144 619 N 5.1124 7.8004 114.5426 52.7155 39.7111 176.1567 620 L 4.0596 7.9506 122.8061 57.9562 42.1894 176.9027 621 P 4.2805 0.0000 0.0000 65.9197 31.1484 178.2588 622 F 4.4098 8.2695 118.6103 61.0323 39.1992 177.1737 623 L 3.8768 7.8128 118.0774 57.4178 41.6252 179.0849 624 I 3.8910 7.9865 120.2275 63.9764 37.0342 178.5424 625 K 3.9000 7.5050 118.5528 59.4164 31.7873 179.1971 626 K 4.1282 7.2117 115.7380 57.5738 32.1900 177.6368 627 D 4.7428 7.3456 117.8096 53.7091 41.1146 177.3693 628 A 3.9478 7.5241 122.2244 55.3266 18.6668 180.0143 629 Q 4.1490 8.0278 112.8922 59.1468 29.3478 177.4713 630 D 4.2902 8.1810 115.7047 57.0402 41.5010 176.7567 631 E 4.5633 7.7074 114.7306 56.9877 27.3580 175.2479 632 V 4.2800 8.3590 109.4383 60.9493 33.4504 178.4715 633 L 3.6521 8.1599 121.4868 57.4344 41.2433 177.2319 634 P 4.5010 0.0000 0.0000 64.9118 31.0716 177.1940 635 C 4.4300 7.6386 111.4528 59.1189 30.2890 174.5026 636 L 4.1478 7.9508 121.9113 55.4151 41.6088 178.1713 637 L 4.3287 7.6932 121.3863 58.3272 42.0507 178.6245 638 S 4.1189 8.1137 112.3516 61.0996 62.3049 174.0872 639 P 4.2103 0.0000 0.0000 65.7931 31.1733 178.6818 640 F 4.6817 8.1631 116.4117 60.4266 38.5239 177.8632 641 S 4.0692 8.1267 114.5490 61.8063 62.9901 176.5020 642 L 4.3893 7.8315 121.0923 57.7242 41.3457 179.2618 643 L 4.0822 7.8894 120.0892 58.2402 41.8691 179.0100 644 L 4.0419 7.7257 117.9091 57.1075 41.2502 177.9814 645 Y 4.6407 7.2978 114.4224 58.7719 38.1778 175.3814 646 H 4.8140 8.1378 116.1266 55.3342 29.9998 174.1228 647 L 4.5752 7.2701 120.5832 52.6078 43.0287 175.4943 648 P 4.6158 0.0000 0.0000 61.5810 34.4529 176.9133 649 S 3.8518 8.3346 110.7055 61.8062 62.1191 176.2886 650 V 3.6199 7.7183 114.4456 64.6048 31.1893 178.6346 651 S 4.0968 7.9322 114.2261 61.6435 62.6930 176.5738 652 I 3.6774 7.4788 122.3364 64.6977 36.7611 178.6362 653 T 4.1074 7.9427 116.5180 66.8253 68.2315 176.8611 654 S 4.1185 8.3170 117.1545 61.5117 62.8306 176.7436 655 L 3.9517 8.1771 121.8069 57.8742 41.3792 179.6646 656 L 3.9867 8.1642 118.9852 57.8479 41.4546 179.5342 657 R 3.8827 8.6568 119.1107 59.3812 29.9161 178.4319 658 Q 3.9570 8.3976 119.8562 58.9454 28.8960 177.6423 659 L 3.9665 8.0934 120.6730 58.3860 42.5658 178.1695 660 M 4.2355 8.1808 116.3037 55.3694 31.9175 177.2448 661 N 4.6018 8.0115 117.2661 53.2572 39.0403 174.3175 662 L 4.6857 7.1321 116.0309 54.3461 42.2933 175.5961 663 P 4.3364 0.0000 0.0000 65.3836 31.6406 177.6781 664 G 3.7248 7.9140 106.3234 44.6481 0.0000 172.0277 665 S 3.9024 8.5401 113.6343 57.8838 62.2444 172.1241 *674 P 4.7608 0.0000 0.0000 63.1937 32.0639 175.2844 675 H 5.0554 8.5843 121.2218 54.4951 33.1137 172.3685 676 L 4.7916 8.2976 121.4007 54.6359 41.9640 177.9392 677 T 3.8355 8.0745 117.6507 67.4194 68.0494 175.6489 678 A 3.9829 7.8782 120.2253 55.0032 18.3868 179.4843 679 V 3.7039 8.5579 117.9774 66.2489 31.6104 178.3860 680 L 4.0910 7.8578 118.0139 57.1044 41.2252 177.7176 681 Q 5.1193 7.4311 116.5377 55.1465 29.0161 175.4984 682 N 5.0078 7.8924 115.7142 50.7412 42.9538 174.1580 683 K 3.9132 8.8293 127.6211 59.7838 32.2852 179.1999 684 F 4.3036 8.3685 120.1158 61.2335 39.5340 176.9471 685 G 3.6544 8.9979 105.8324 47.9324 0.0000 175.3030 686 L 3.9508 8.2245 123.5145 57.8960 42.2186 179.2456 687 S 4.1396 8.3062 115.3986 61.2185 62.6938 176.5149 688 L 3.6932 8.1944 123.5835 57.8633 41.7230 178.4840 689 L 3.8880 7.7601 120.2882 58.4338 41.9252 179.1017 690 L 4.0160 7.8421 118.5774 57.8874 41.5072 179.5983 691 I 3.7668 7.7206 119.6482 63.9784 36.8605 178.6243 692 L 3.9239 7.9868 119.9831 57.9304 41.3690 179.3160 693 L 4.1052 7.8901 117.5911 57.8869 41.7904 179.5412 694 S 4.1833 8.2268 112.9754 61.4843 62.3969 176.0829 695 R 4.1671 8.2220 121.6548 59.5353 29.7571 178.6402 696 G 3.4602 8.4668 105.6659 47.4657 0.0000 175.3790 697 E 4.0091 8.2186 121.6202 59.3152 29.2239 178.3161 698 D 4.4216 8.1496 118.4747 57.5169 40.6838 178.5459 699 L 3.8822 7.4423 117.0505 56.5469 42.0698 178.4106 700 Q 4.0986 7.7490 115.9734 57.0834 29.0609 177.2969 701 S 4.5313 7.8122 115.8621 60.0485 63.1603 175.6897 702 S 4.4870 7.2271 114.6231 58.9670 62.2748 173.7004 703 D 4.4356 7.3688 121.9393 54.6478 41.1877 176.5438 *709 T 4.3197 8.2130 107.3223 61.3245 70.5012 175.4412 710 Q 4.2833 8.1987 124.1818 58.9099 28.6070 178.4929 711 N 4.4765 8.2768 116.5688 56.6138 38.6347 177.0721 712 N 4.3972 8.1631 117.0747 56.3754 38.8387 177.2478 713 Q 4.0263 8.5172 119.8423 58.8290 28.8872 178.9704 714 W 4.4473 9.0550 129.8483 60.8491 30.7848 178.2270 715 T 3.7976 8.3279 109.8588 64.5638 68.0825 176.1772 716 E 3.9248 8.2554 122.3560 59.2300 29.8626 179.0110 717 V 3.4847 7.7269 117.9913 65.6796 31.5000 177.6675 718 M 3.5265 7.3913 118.4226 57.4780 31.7037 178.4189 719 F 3.9721 8.3563 118.2059 60.0865 39.0505 177.5168 720 M 4.0615 8.3276 118.2988 58.1430 31.9626 178.0480 721 A 3.9131 7.7509 120.9528 55.3237 18.6573 179.6312 722 T 3.4874 7.7954 108.0511 64.8104 68.7181 176.2367 723 R 3.8146 7.6607 121.4346 59.2988 30.2757 178.2022 724 E 3.9809 8.3475 118.8467 59.0772 29.3661 178.7758 725 L 3.9653 7.8278 118.7707 57.5627 41.6814 179.0129 726 L 4.0937 7.7722 118.2017 57.2514 41.6356 179.1101 727 R 3.9970 7.6133 118.3856 58.1659 30.4326 177.0619 728 I 3.7713 7.0240 118.1784 60.1003 38.6307 173.7582 729 P 4.4020 0.0000 0.0000 62.2092 31.7233 177.0431 730 Q 3.9208 8.8852 122.6439 59.3131 29.1866 178.9146 731 A 3.8075 8.0072 119.4038 54.9846 18.8551 178.4355 732 A 4.1355 7.8761 118.1537 54.3601 18.7564 177.3416 733 L 4.5637 7.2072 116.4398 54.7077 42.0183 177.5530 734 A 4.2531 8.7609 126.4329 51.6594 19.8234 176.5712 735 K 4.3245 8.3559 120.4888 54.3860 32.5096 174.6653 736 P 4.3984 0.0000 0.0000 62.7488 31.9069 176.9220 737 I 3.8387 8.7061 125.1149 63.6784 37.2796 176.6377 738 S 4.4525 7.7867 115.5121 56.3668 64.5108 173.4567 739 I 4.1449 8.2631 126.6699 58.4416 37.3283 173.3307 740 P 4.4358 0.0000 0.0000 62.7909 32.0014 177.2688 741 T 4.0528 8.5447 112.2891 64.6112 69.3418 175.5878 742 N 4.8031 8.0858 117.1167 53.1176 37.9301 176.5716 743 L 3.8392 7.5806 119.5285 57.5108 41.4960 179.4632 744 V 3.6917 7.7090 118.3183 66.0367 31.3975 177.7454 745 S 4.0891 7.9620 111.0913 61.1968 62.5774 175.2417 746 L 4.3147 7.5992 124.1282 57.8497 41.9597 179.1232 747 F 4.6456 7.6589 116.4089 60.0350 38.6173 177.5731 748 S 4.3262 7.7766 113.7478 60.6605 62.6502 175.6647 749 R 4.1884 7.8136 119.2843 56.7995 30.2051 176.4145 750 Y 4.5438 7.5108 113.3112 56.9886 39.7615 175.0039 751 V 4.4412 7.3663 118.0752 60.3810 34.6819 174.0264 752 D 4.7298 8.4044 125.1426 52.5717 42.0478 177.4964 753 R 3.9323 8.4608 118.2369 59.4715 29.7886 179.2047 754 Q 3.9800 7.9978 117.1721 59.2146 28.9472 179.0535 755 K 3.9588 7.9843 118.5593 58.8661 32.1024 179.2935 756 L 3.9737 8.0522 121.1356 58.2392 41.9850 178.7631 757 N 4.3926 8.1277 116.0174 56.1597 38.3962 177.3431 758 L 3.9808 7.3952 120.1106 57.8235 41.6880 179.5878 759 L 3.9439 7.7616 118.4282 57.6180 41.4273 178.9759 760 E 3.9529 8.1197 118.5090 60.1529 29.3065 179.7035 761 T 3.9929 7.7939 114.4871 65.9157 68.5559 176.2568 762 K 4.8267 7.4770 122.0428 57.4156 32.6428 177.1027 763 L 4.6901 7.6083 116.3640 53.4882 43.0600 176.6280 764 Q 3.4522 8.0330 115.0996 56.4112 26.9245 173.4320 765 L 4.0145 7.0236 117.6691 55.6916 42.7115 177.5561 766 V 4.0549 8.0607 122.0989 62.1552 31.1934 174.3730 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 517 D 8.22 4.59 0.00 2.77 1.75 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 0.00 518 K 8.49 3.84 0.00 1.84 1.84 0.00 1.74 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.50 7.81 519 R 8.34 3.92 0.00 1.86 1.94 0.00 3.15 0.00 0.00 3.24 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.69 0.00 520 R 7.88 3.81 0.00 1.82 2.03 0.00 3.31 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 521 K 7.85 4.09 0.00 1.85 1.89 0.00 1.77 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.49 1.52 7.81 522 T 8.31 3.85 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 1.16 0.00 0.00 523 L 7.94 3.99 0.00 1.97 1.70 0.93 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 524 V 7.68 3.59 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 1.13 0.00 0.00 0.92 0.00 0.00 525 I 7.77 3.71 2.03 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 1.63 0.97 0.99 0.00 0.00 526 I 7.83 3.74 2.03 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.07 0.93 0.00 0.00 527 E 8.17 3.99 0.00 2.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.43 0.00 528 K 8.34 3.85 0.00 2.07 1.99 0.00 1.53 0.00 0.00 1.66 0.00 0.00 3.21 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.56 7.81 529 T 8.04 4.07 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 530 Y 8.87 3.93 0.00 3.18 3.08 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 0.00 531 S 8.50 4.16 0.00 4.10 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 532 L 7.54 3.93 0.00 2.01 1.61 0.90 0.41 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 0.00 533 L 7.67 3.67 0.00 1.60 1.53 0.96 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 534 L 7.59 4.04 0.00 1.70 1.67 1.09 0.80 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 0.00 535 D 7.81 4.26 0.00 2.74 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 0.00 536 V 7.55 3.46 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 -0.12 0.00 0.00 0.71 0.00 0.00 537 E 8.50 4.42 0.00 2.15 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 0.00 2.64 2.48 0.00 538 D 8.22 4.31 0.00 2.89 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 0.00 539 Y 7.92 3.98 0.00 3.17 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 540 E 8.24 4.05 0.00 2.41 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 0.00 2.42 2.46 0.00 541 R 8.14 3.88 0.00 2.04 2.14 0.00 3.16 0.00 0.00 3.19 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 542 R 7.89 3.96 0.00 1.73 1.92 0.00 3.20 0.00 0.00 3.29 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.84 0.00 543 Y 7.67 3.95 0.00 2.51 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 0.00 544 L 8.02 4.25 0.00 1.95 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.14 0.00 553 A 8.61 4.26 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 554 L 8.67 4.43 0.00 1.70 1.64 1.00 0.94 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 0.00 555 M 7.87 4.17 0.00 1.94 2.01 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 2.54 2.39 0.00 556 D 8.11 4.35 0.00 2.61 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 557 D 7.77 4.65 0.00 2.58 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.64 4.07 0.00 1.75 1.75 0.00 3.05 0.00 0.00 3.00 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.10 0.00 559 K 8.05 3.83 0.00 1.95 2.05 0.00 1.49 0.00 0.00 1.84 0.00 0.00 3.23 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.64 1.52 7.81 560 H 8.13 4.43 0.00 3.37 3.56 0.00 5.45 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 561 K 8.03 3.95 0.00 1.78 1.73 0.00 1.54 0.00 0.00 1.52 0.00 0.00 3.07 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.18 1.26 7.81 562 I 7.34 3.66 1.86 0.00 0.00 nan 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.03 0.98 0.00 0.00 563 C 8.08 4.26 0.00 3.00 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 0.00 564 S 7.70 4.24 0.00 3.98 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 0.00 565 M 7.91 4.12 0.00 2.05 2.30 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 2.88 2.52 0.00 566 Y 8.23 4.39 0.00 3.03 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 567 D 8.70 4.20 0.00 2.84 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 568 N 8.11 4.50 0.00 2.88 2.95 0.00 0.00 7.09 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 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2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 583 H 8.38 3.99 0.00 3.28 3.39 0.00 5.86 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 0.00 584 F 8.28 4.41 0.00 3.33 3.10 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 0.00 0.00 0.00 0.00 585 V 8.16 3.53 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 1.18 0.00 0.00 1.11 0.00 0.00 586 Q 8.19 4.18 0.00 2.10 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.57 0.00 0.00 0.00 0.00 0.00 2.41 2.57 0.00 587 I 7.24 3.67 1.84 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 1.47 1.30 0.85 0.00 0.00 588 M 7.33 4.17 0.00 1.79 1.87 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.56 0.00 589 C 7.56 4.35 0.00 3.10 2.89 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 0.00 590 I 7.07 3.99 1.82 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 1.48 0.52 0.86 0.00 0.00 591 R 8.63 3.79 0.00 2.09 1.91 0.00 3.15 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 592 K 8.09 4.04 0.00 1.77 1.72 0.00 1.59 0.00 0.00 1.49 0.00 0.00 2.37 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.46 1.46 7.81 593 G 7.81 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 0.00 594 K 7.87 3.90 0.00 1.73 1.76 0.00 1.59 0.00 0.00 1.70 0.00 0.00 3.09 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.59 7.81 595 R 7.52 3.89 0.00 1.94 2.04 0.00 3.30 0.00 0.00 3.12 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.79 0.00 596 M 8.44 4.23 0.00 2.31 2.33 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.62 0.00 597 V 8.14 3.63 2.22 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 1.13 0.00 0.00 1.06 0.00 0.00 598 A 8.06 3.90 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 599 R 7.98 4.28 0.00 1.94 2.22 0.00 3.20 0.00 0.00 3.35 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 600 I 7.62 4.23 2.07 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 1.69 0.99 1.04 0.00 0.00 601 L 7.87 4.01 0.00 1.62 1.70 0.35 1.10 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 0.00 602 P 0.00 4.21 0.00 1.80 2.00 0.00 3.61 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.83 0.00 603 F 7.83 4.50 0.00 3.26 3.06 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 0.00 604 L 7.24 4.42 0.00 1.72 1.60 1.04 0.90 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 0.00 605 S 8.40 4.36 0.00 4.01 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 0.00 606 T 8.31 3.81 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 1.21 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 616 T 8.04 4.32 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 617 A 8.12 4.05 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 618 R 8.08 3.99 0.00 2.01 2.19 0.00 3.52 0.00 0.00 3.24 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.70 0.00 619 N 7.80 5.11 0.00 2.91 2.93 0.00 0.00 6.59 6.61 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 0.00 620 L 7.95 4.06 0.00 1.99 1.74 1.18 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 621 P 0.00 4.28 0.00 2.29 2.16 0.00 3.65 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.21 0.00 622 F 8.27 4.41 0.00 3.12 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 0.00 623 L 7.81 3.88 0.00 1.88 1.71 1.03 0.93 0.00 0.00 0.00 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2.04 0.00 3.39 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 728 I 7.02 3.77 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.79 0.94 0.00 0.00 729 P 0.00 4.40 0.00 2.21 1.94 0.00 3.66 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 2.10 2.06 0.00 730 Q 8.89 3.92 0.00 2.11 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.92 0.00 0.00 0.00 0.00 0.00 2.43 2.44 0.00 731 A 8.01 3.81 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 0.00 732 A 7.88 4.14 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 733 L 7.21 4.56 0.00 1.68 1.63 0.90 0.74 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 0.00 734 A 8.76 4.25 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 0.00 735 K 8.36 4.32 0.00 1.79 1.77 0.00 1.80 0.00 0.00 1.72 0.00 0.00 2.91 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.38 1.47 7.81 736 P 0.00 4.40 0.00 2.10 1.99 0.00 3.75 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 2.04 2.12 0.00 737 I 8.71 3.84 1.93 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.39 0.96 0.00 0.00 738 S 7.79 4.45 0.00 3.95 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 739 I 8.26 4.14 1.90 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 1.45 0.77 0.94 0.00 0.00 740 P 0.00 4.44 0.00 2.09 2.00 0.00 3.76 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.11 0.00 741 T 8.54 4.05 4.25 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 1.23 0.00 0.00 742 N 8.09 4.80 0.00 2.89 3.09 0.00 0.00 6.29 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 743 L 7.58 3.84 0.00 1.89 1.79 0.99 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 744 V 7.71 3.69 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 1.08 0.00 0.00 0.98 0.00 0.00 745 S 7.96 4.09 0.00 3.90 4.10 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 0.00 0.00 0.00 0.00 746 L 7.60 4.31 0.00 1.77 1.35 1.20 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 747 F 7.66 4.65 0.00 3.17 2.97 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 0.00 0.00 0.00 748 S 7.78 4.33 0.00 4.10 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 749 R 7.81 4.19 0.00 1.83 0.99 0.00 3.09 0.00 0.00 3.20 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.56 0.00 750 Y 7.51 4.54 0.00 2.62 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 0.00 0.00 0.00 751 V 7.37 4.44 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 0.79 0.00 0.00 0.89 0.00 0.00 752 D 8.40 4.73 0.00 2.92 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 0.00 753 R 8.46 3.93 0.00 1.84 2.04 0.00 3.30 0.00 0.00 3.34 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.68 0.00 754 Q 8.00 3.98 0.00 2.05 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.92 0.00 0.00 0.00 0.00 0.00 2.56 2.42 0.00 755 K 7.98 3.96 0.00 1.84 1.81 0.00 1.74 0.00 0.00 1.55 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.56 7.81 756 L 8.05 3.97 0.00 1.94 1.84 1.03 0.55 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 0.00 757 N 8.13 4.39 0.00 3.05 2.85 0.00 0.00 7.03 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 0.00 758 L 7.40 3.98 0.00 1.95 1.67 0.89 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 759 L 7.76 3.94 0.00 1.78 1.55 0.21 0.66 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 0.00 760 E 8.12 3.95 0.00 2.25 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 0.00 2.37 2.54 0.00 761 T 7.79 3.99 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 0.00 762 K 7.48 4.83 0.00 2.01 1.87 0.00 1.52 0.00 0.00 1.58 0.00 0.00 2.98 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.42 1.41 7.81 763 L 7.61 4.69 0.00 1.74 1.61 0.94 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 764 Q 8.03 3.45 0.00 2.17 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.71 0.00 0.00 0.00 0.00 0.00 2.31 2.43 0.00 765 L 7.02 4.01 0.00 1.75 1.67 1.04 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 766 V 8.06 4.05 2.10 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 0.74 0.00 0.00 0.95 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.