NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -4 G 3.9685 8.3544 109.7377 45.5908 0.0000 172.8456 -3 S 4.4997 8.0534 114.6553 55.9846 65.6701 171.3825 -2 H 4.5779 8.4244 121.5560 55.7763 33.2925 172.9427 -1 M 4.3411 8.0648 125.2719 53.7380 33.1317 173.6040 *513 V 4.0308 8.2581 117.2343 61.0823 32.9263 175.0914 514 L 4.5393 7.8945 122.2724 53.8836 43.0581 174.5259 515 P 4.5108 0.0000 0.0000 61.6352 29.6152 176.2100 516 S 4.3040 7.9414 122.1254 59.6701 63.6721 173.3483 517 E 4.5074 8.2449 120.8380 55.2653 32.0884 174.4667 518 A 4.5780 8.3126 127.0300 49.5813 19.7115 175.2159 519 P 4.5440 0.0000 0.0000 63.7701 32.1930 176.5085 520 N 4.8463 8.4437 114.5460 53.2380 40.9178 174.1094 521 A 4.0038 8.2391 122.0711 52.4341 18.4242 178.6431 522 K 4.0751 8.6617 122.9377 59.8358 33.0172 177.4406 523 E 4.4032 7.8983 118.4723 55.9171 30.4781 174.9962 524 E 4.8661 8.1935 115.5195 55.8011 31.9012 174.6078 525 I 4.4881 8.2315 120.8684 59.9628 39.2576 174.6953 526 L 4.6376 7.6046 121.4724 53.5852 45.8239 177.0404 527 G 3.8866 8.3081 109.1142 45.0459 0.0000 172.9937 528 T 4.2880 8.0446 114.4701 63.1909 69.3200 174.4066 529 V 4.2875 8.2266 116.9158 60.1380 36.3041 175.3639 530 S 5.1972 8.0886 112.4621 57.3746 62.6065 172.9928 531 W 5.3269 7.2098 120.2476 56.0467 32.3135 175.1060 532 N 5.0780 8.9798 114.6829 54.3214 40.2338 174.5932 533 L 4.6988 8.8031 121.8150 56.7750 45.6598 178.1692 534 R 3.9807 8.1148 117.0701 59.2043 29.8520 178.4880 535 E 3.7373 8.2346 117.9389 59.7774 29.3524 179.3831 536 M 4.3387 8.0304 117.8381 58.5660 32.1929 178.5812 537 L 4.1090 8.2852 119.0380 57.7800 41.7602 179.3433 538 A 3.9672 8.1881 120.6882 55.4934 18.3906 179.0585 539 H 4.2631 8.4973 117.2806 58.6832 29.8439 176.9197 540 A 3.9276 8.3999 122.8865 55.5182 18.1313 179.2403 541 E 3.8835 8.3380 116.2749 59.5881 29.7099 178.9397 542 E 3.8739 8.4444 119.7528 59.6398 29.4784 178.5222 543 T 4.3625 7.7813 105.7658 60.8898 69.4280 174.5245 544 R 3.7872 7.6305 119.3508 57.0280 28.4549 176.6117 545 K 4.1786 7.4588 115.9330 56.3539 33.0007 176.0743 546 L 4.6857 8.1589 122.3186 54.0846 44.3224 175.1325 547 M 4.8820 8.7725 125.5517 52.7378 34.1682 172.2678 548 P 5.4637 0.0000 0.0000 63.1822 32.4328 175.8545 549 I 4.8394 9.4802 123.6541 59.6943 42.4404 173.5965 550 C 4.2514 8.2530 124.2651 56.3598 33.0234 174.3527 551 M 3.5283 8.3334 124.6038 58.0469 30.8451 176.8986 552 D 4.3275 7.9903 118.0521 57.2411 41.6621 177.4637 553 V 3.9428 7.4327 120.5316 60.9723 29.9871 176.0456 554 R 3.8429 7.9388 122.9662 58.7284 29.8340 177.9388 555 A 3.9717 7.9256 120.1593 55.2056 18.4079 179.5571 556 I 3.5863 7.6089 118.0240 64.8567 37.1632 178.6484 557 M 3.8995 7.7742 118.7792 58.2325 31.6474 178.3892 558 A 4.1260 8.2299 119.7112 54.4012 18.7034 179.3821 559 T 4.1457 7.3549 114.5071 66.4442 68.9734 176.7744 560 I 3.9664 7.7198 121.4522 65.0824 36.7131 178.5694 561 Q 4.0633 8.6442 118.8291 58.6339 28.2752 178.9619 562 R 4.0180 7.8569 118.8426 58.8781 30.4260 177.8208 563 K 4.0547 8.2057 118.6161 57.9248 33.4378 176.4197 564 Y 4.8137 7.6437 116.2079 55.1714 38.2067 174.9283 565 K 4.2851 7.3539 122.3158 57.2069 33.6975 178.9030 566 G 4.0972 8.7485 107.7819 45.7207 0.0000 174.2813 567 I 3.5141 6.8050 118.8715 60.9237 38.3946 175.2982 568 K 4.5180 7.7350 126.3883 56.5495 32.5312 174.1416 569 I 3.1757 7.9894 120.0745 61.5666 36.7866 173.6259 570 Q 4.4926 8.4470 119.5844 54.8217 32.5877 172.7990 571 E 4.6463 8.5495 118.4428 55.4694 32.9637 176.0279 572 G 3.7839 8.3811 108.4366 44.3345 0.0000 172.2564 573 I 4.3754 8.3692 120.8777 61.9251 37.4561 176.7669 574 V 3.8489 8.3237 129.6715 61.2065 31.3020 173.6068 575 D 4.7854 8.4514 125.8101 54.2897 40.3719 174.3053 576 Y 4.2975 8.6660 125.1897 55.9155 39.0197 173.5909 577 G 3.9667 7.8909 116.4882 45.0011 0.0000 171.2741 578 V 3.5785 6.4586 117.0865 60.8908 33.0518 175.6969 579 R 4.2101 8.1018 125.6982 56.4735 30.8679 175.4386 580 F 5.4227 9.2624 125.7639 55.9668 42.6967 175.0890 581 F 5.2033 9.3218 121.6054 57.1500 42.2609 173.5701 582 F 5.2208 9.2724 127.8714 56.6416 39.3396 174.6940 583 Y 4.9531 7.6223 122.6657 54.9179 39.3902 176.0259 584 T 4.0636 8.4488 111.5171 60.6441 70.1754 175.4132 585 S 4.3763 8.5761 116.6141 61.3164 62.6181 175.6127 586 K 4.0441 7.3479 119.3495 57.1761 32.3164 175.8678 587 E 4.3141 7.7790 120.1403 54.6823 29.9935 174.8786 588 P 4.5026 0.0000 0.0000 62.4249 33.5390 177.5075 589 V 3.4460 8.2403 118.3003 66.0806 31.3904 178.1452 590 A 4.0854 7.9945 120.2096 54.8657 18.3023 179.7727 591 S 4.0729 7.9069 113.6871 61.7341 63.0346 176.5922 592 I 3.8001 7.9715 116.1115 64.0423 37.2651 178.1297 593 I 3.6033 7.6285 121.4175 64.5609 36.7896 178.1630 594 T 3.8682 7.8122 115.1413 66.7976 68.5679 176.0454 595 K 4.0015 8.1487 121.0087 59.6336 32.2757 178.7603 596 L 3.8933 8.0208 119.2888 57.6808 41.2632 179.3302 597 N 4.2657 7.6455 115.4091 56.3118 38.4630 177.0088 598 S 4.2838 8.2929 116.0651 60.5433 63.3273 176.1787 599 L 4.1764 7.7594 121.5328 56.4241 41.7266 177.9276 600 N 4.2852 8.0081 112.8783 53.4721 36.8350 174.1709 601 E 4.2377 7.3868 115.7229 55.7535 30.7152 174.8851 602 P 4.3565 0.0000 0.0000 63.4174 32.3179 175.6788 603 L 5.6822 9.1168 125.1760 52.4632 44.6388 175.9088 604 V 4.9269 8.0353 119.1047 60.6949 34.2304 174.4442 605 T 4.6063 8.8245 118.6003 61.6126 71.6994 172.0067 606 M 4.9363 8.7796 122.9362 51.9635 34.3397 175.5329 607 P 4.6252 0.0000 0.0000 65.6906 31.1730 181.3226 608 I 2.8670 8.0126 116.8918 63.9738 39.4487 176.6266 609 G 3.7208 8.1163 113.9429 45.1266 0.0000 172.2300 610 Y 4.7767 7.9853 122.3426 59.0967 41.7357 176.7414 611 V 3.9273 7.5548 115.6847 64.5925 33.9213 176.8014 612 T 3.7761 8.1784 112.2892 65.2670 67.0162 173.9036 613 H 4.6212 8.2216 114.5858 55.4233 28.8691 175.5035 614 G 3.9468 8.1989 107.2587 45.7890 0.0000 174.8376 615 F 4.8887 7.4677 117.6226 56.7192 40.9671 174.6596 616 N 5.2767 8.4143 117.2462 51.5475 43.0230 174.9126 617 L 4.0481 8.8108 122.5637 58.4536 41.9257 178.8610 618 E 2.5400 7.7733 118.6313 58.8497 29.7892 178.4990 619 E 3.7173 7.8824 117.8859 58.9647 29.4766 178.9572 620 A 4.7394 8.6646 122.1871 54.7863 18.6988 179.4825 621 A 3.8432 7.7847 120.2038 54.6944 18.1942 179.6883 622 R 3.7759 7.6555 115.2951 59.8365 30.5135 178.2826 623 C 4.2152 7.9508 117.4921 63.0937 31.5724 175.7026 624 M 4.1990 8.2699 119.9294 58.2749 31.2608 178.9147 625 R 3.9954 7.7574 117.4307 59.0063 30.2686 177.9311 626 S 4.1694 7.7785 112.0588 59.7923 62.6265 173.6259 627 L 4.2021 7.6967 122.9076 55.1989 41.9596 176.3516 628 K 4.5344 8.5174 126.3352 56.3663 32.7401 176.2034 629 A 4.7432 7.5943 119.5001 49.4174 22.4058 175.0631 630 P 4.4892 0.0000 0.0000 63.1029 32.8640 176.0424 631 A 4.7634 8.2214 124.6883 50.9810 21.1334 176.2520 632 V 3.9716 8.5897 123.1493 63.3123 32.9164 175.1226 633 V 4.7214 8.1482 126.1870 61.0033 34.7222 173.8307 634 S 5.1636 8.4478 120.9225 55.6224 64.9635 172.8487 635 V 4.3943 8.0182 120.3989 59.1790 33.9208 176.9639 636 S 4.6874 8.7516 116.7475 59.0074 62.4719 173.9291 637 S 4.7377 7.8762 115.8669 55.2766 66.1587 173.3572 638 P 4.2759 0.0000 0.0000 66.0979 30.2493 178.0207 639 D 4.4504 8.1476 116.1002 55.7549 41.2081 176.8517 640 A 4.4827 7.6068 119.2362 53.5246 19.5488 178.9886 641 V 3.5202 7.4978 117.2151 66.4265 31.3517 178.2339 642 T 3.7959 7.7792 114.7666 66.9245 68.4421 176.4581 643 T 3.5235 7.1812 114.2076 66.6632 68.5433 175.9961 644 Y 3.9334 8.2192 121.5798 60.8976 38.8720 177.7675 645 N 4.5189 8.5120 117.6151 56.2911 38.6221 177.4784 646 G 3.4840 8.0165 107.1549 48.0928 0.0000 175.3060 647 Y 4.2790 7.3183 119.4424 60.7911 37.6592 178.7997 648 L 4.0176 7.5816 118.5700 57.6106 41.6857 179.1446 649 T 4.1488 7.6491 115.1450 65.4305 68.7775 176.0645 650 S 4.5782 7.7468 112.4015 58.5617 62.9231 173.7414 651 S 4.1289 7.8907 119.9484 59.1240 62.5058 173.0636 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 -4 G 8.35 3.97 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 0.00 0.00 0.00 -3 S 8.05 4.50 0.00 3.87 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 -2 H 8.42 4.58 0.00 3.02 3.11 0.00 5.92 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 -1 M 8.06 4.34 0.00 2.02 1.88 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.53 0.00 *513 V 8.26 4.03 2.04 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 0.96 0.00 0.00 0.74 0.00 0.00 514 L 7.89 4.54 0.00 1.67 1.57 0.89 0.66 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 0.00 515 P 0.00 4.51 0.00 2.19 2.12 0.00 3.74 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.96 0.00 516 S 7.94 4.30 0.00 3.88 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 0.00 517 E 8.24 4.51 0.00 1.87 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 2.19 2.29 0.00 518 A 8.31 4.58 1.24 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 0.00 0.00 0.00 519 P 0.00 4.54 0.00 2.30 2.05 0.00 3.73 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 1.98 1.98 0.00 520 N 8.44 4.85 0.00 2.65 2.78 0.00 0.00 6.90 7.34 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 0.00 521 A 8.24 4.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 522 K 8.66 4.08 0.00 1.88 1.97 0.00 1.58 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.47 7.81 523 E 7.90 4.40 0.00 2.02 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 0.00 2.34 2.31 0.00 524 E 8.19 4.87 0.00 2.11 1.93 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 2.22 2.35 0.00 525 I 8.23 4.49 1.91 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.20 0.85 0.00 0.00 526 L 7.60 4.64 0.00 1.55 1.51 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 527 G 8.31 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 528 T 8.04 4.29 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 0.95 0.00 0.00 529 V 8.23 4.29 1.08 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 0.46 0.00 0.00 -0.64 0.00 0.00 530 S 8.09 5.20 0.00 3.96 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 0.00 531 W 7.21 5.33 0.00 3.45 3.15 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 0.00 532 N 8.98 5.08 0.00 2.71 2.59 0.00 0.00 6.54 7.93 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 0.00 533 L 8.80 4.70 0.00 1.73 1.62 1.04 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 534 R 8.11 3.98 0.00 1.89 1.96 0.00 3.20 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.74 0.00 535 E 8.23 3.74 0.00 1.96 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 2.25 2.38 0.00 536 M 8.03 4.34 0.00 2.22 2.46 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.08 2.89 0.00 537 L 8.29 4.11 0.00 1.96 1.96 1.17 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 538 A 8.19 3.97 1.32 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 0.00 539 H 8.50 4.26 0.00 3.09 3.44 0.00 5.86 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 540 A 8.40 3.93 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 0.00 541 E 8.34 3.88 0.00 2.35 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 2.42 2.50 0.00 542 E 8.44 3.87 0.00 2.01 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 0.00 2.31 2.35 0.00 543 T 7.78 4.36 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 1.18 0.00 0.00 544 R 7.63 3.79 0.00 1.91 1.98 0.00 3.52 0.00 0.00 3.20 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 545 K 7.46 4.18 0.00 1.65 1.85 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.56 1.34 7.81 546 L 8.16 4.69 0.00 1.95 1.50 1.05 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 547 M 8.77 4.88 0.00 2.10 1.72 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.61 0.00 548 P 0.00 5.46 0.00 2.48 2.43 0.00 3.91 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 2.17 2.13 0.00 549 I 9.48 4.84 2.09 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.88 0.53 0.00 0.00 550 C 8.25 4.25 0.00 2.33 2.45 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 0.00 551 M 8.33 3.53 0.00 1.72 1.92 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.30 0.00 552 D 7.99 4.33 0.00 2.54 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 0.00 553 V 7.43 3.94 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 0.86 0.00 0.00 0.86 0.00 0.00 554 R 7.94 3.84 0.00 1.79 1.92 0.00 3.26 0.00 0.00 3.22 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.58 0.00 555 A 7.93 3.97 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 0.00 556 I 7.61 3.59 1.97 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 1.55 0.75 0.88 0.00 0.00 557 M 7.77 3.90 0.00 1.82 2.05 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.50 0.00 558 A 8.23 4.13 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 0.00 559 T 7.35 4.15 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 560 I 7.72 3.97 1.78 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.75 0.69 0.00 0.00 561 Q 8.64 4.06 0.00 2.02 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.73 0.00 0.00 0.00 0.00 0.00 2.28 2.41 0.00 562 R 7.86 4.02 0.00 1.88 2.10 0.00 3.23 0.00 0.00 3.14 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.67 0.00 563 K 8.21 4.05 0.00 1.82 1.78 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.49 1.17 7.81 564 Y 7.64 4.81 0.00 3.10 3.21 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 0.00 565 K 7.35 4.29 0.00 1.96 1.99 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.58 1.49 7.81 566 G 8.75 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 0.00 0.00 0.00 567 I 6.80 3.51 0.56 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.05 0.71 0.00 0.00 568 K 7.74 4.52 0.00 1.65 1.65 0.00 1.96 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.28 1.39 7.81 569 I 7.99 3.18 1.82 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.67 0.83 0.00 0.00 570 Q 8.45 4.49 0.00 1.93 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.66 0.00 0.00 0.00 0.00 0.00 2.26 2.39 0.00 571 E 8.55 4.65 0.00 1.89 1.83 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 2.29 2.24 0.00 572 G 8.38 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 0.00 0.00 0.00 573 I 8.37 4.38 1.96 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 1.41 0.87 0.96 0.00 0.00 574 V 8.32 3.85 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 0.34 0.00 0.00 0.46 0.00 0.00 575 D 8.45 4.79 0.00 2.70 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 0.00 576 Y 8.67 4.30 0.00 2.94 2.73 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 0.00 577 G 7.89 3.97 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 0.00 0.00 0.00 578 V 6.46 3.58 0.95 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 -0.05 0.00 0.00 0.83 0.00 0.00 579 R 8.10 4.21 0.00 1.89 1.84 0.00 3.23 0.00 0.00 3.29 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 580 F 9.26 5.42 0.00 2.76 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 0.00 581 F 9.32 5.20 0.00 3.19 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 582 F 9.27 5.22 0.00 2.76 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 0.00 583 Y 7.62 4.95 0.00 3.06 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 0.00 584 T 8.45 4.06 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 1.19 0.00 0.00 585 S 8.58 4.38 0.00 3.94 4.18 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 0.00 586 K 7.35 4.04 0.00 1.76 1.87 0.00 1.66 0.00 0.00 1.62 0.00 0.00 3.02 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.41 7.81 587 E 7.78 4.31 0.00 2.06 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 2.34 0.00 588 P 0.00 4.50 0.00 2.23 2.00 0.00 3.69 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 2.14 2.17 0.00 589 V 8.24 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 1.13 0.00 0.00 0.42 0.00 0.00 590 A 7.99 4.09 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 0.00 591 S 7.91 4.07 0.00 4.09 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 0.00 592 I 7.97 3.80 1.68 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.74 0.92 0.00 0.00 593 I 7.63 3.60 2.08 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 1.50 1.15 0.91 0.00 0.00 594 T 7.81 3.87 4.48 0.00 0.00 0.00 0.00 0.00 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 0.00 595 K 8.15 4.00 0.00 1.93 2.00 0.00 1.68 0.00 0.00 1.82 0.00 0.00 3.06 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.27 1.35 7.81 596 L 8.02 3.89 0.00 1.78 1.61 0.89 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 597 N 7.65 4.27 0.00 2.80 2.86 0.00 0.00 7.14 6.81 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 0.00 598 S 8.29 4.28 0.00 3.96 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 0.00 599 L 7.76 4.18 0.00 1.77 1.59 0.77 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 600 N 8.01 4.29 0.00 2.88 2.99 0.00 0.00 7.40 8.58 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 0.00 601 E 7.39 4.24 0.00 2.09 1.89 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 2.46 2.19 0.00 602 P 0.00 4.36 0.00 2.20 2.22 0.00 3.40 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 2.07 2.12 0.00 603 L 9.12 5.68 0.00 1.63 1.72 0.94 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 604 V 8.04 4.93 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 0.90 0.00 0.00 1.17 0.00 0.00 605 T 8.82 4.61 4.35 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 1.27 0.00 0.00 606 M 8.78 4.94 0.00 2.08 2.07 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.54 0.00 607 P 0.00 4.63 0.00 2.26 2.02 0.00 3.85 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.45 0.00 608 I 8.01 2.87 1.91 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.78 0.76 0.00 0.00 609 G 8.12 3.72 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 0.00 0.00 0.00 610 Y 7.99 4.78 0.00 3.18 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 611 V 7.55 3.93 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 0.89 0.00 0.00 -0.20 0.00 0.00 612 T 8.18 3.78 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 1.24 0.00 0.00 613 H 8.22 4.62 0.00 2.87 2.97 0.00 5.98 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 614 G 8.20 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 0.00 615 F 7.47 4.89 0.00 3.32 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 616 N 8.41 5.28 0.00 2.68 2.75 0.00 0.00 6.45 6.73 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 0.00 617 L 8.81 4.05 0.00 2.00 1.96 0.52 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 618 E 7.77 2.54 0.00 1.30 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 0.00 1.89 1.47 0.00 619 E 7.88 3.72 0.00 1.88 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.07 0.00 620 A 8.66 4.74 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 0.00 0.00 621 A 7.78 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 622 R 7.66 3.78 0.00 1.84 1.96 0.00 3.02 0.00 0.00 3.05 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 623 C 7.95 4.22 0.00 3.36 3.19 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 0.00 624 M 8.27 4.20 0.00 2.20 2.49 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.80 0.00 625 R 7.76 4.00 0.00 1.93 1.99 0.00 3.13 0.00 0.00 3.12 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.75 0.00 626 S 7.78 4.17 0.00 3.88 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 0.00 627 L 7.70 4.20 0.00 1.65 1.77 0.89 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 628 K 8.52 4.53 0.00 1.76 1.79 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.56 1.35 7.81 629 A 7.59 4.74 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 0.00 630 P 0.00 4.49 0.00 2.09 1.99 0.00 3.79 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 2.11 2.10 0.00 631 A 8.22 4.76 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 0.00 632 V 8.59 3.97 2.04 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 0.80 0.00 0.00 0.86 0.00 0.00 633 V 8.15 4.72 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.26 0.00 0.00 0.99 0.00 0.00 634 S 8.45 5.16 0.00 3.87 3.67 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 0.00 635 V 8.02 4.39 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 0.47 0.00 0.00 0.81 0.00 0.00 636 S 8.75 4.69 0.00 4.04 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 0.00 637 S 7.88 4.74 0.00 3.94 3.97 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 0.00 638 P 0.00 4.28 0.00 2.29 2.36 0.00 3.71 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.04 0.00 639 D 8.15 4.45 0.00 2.82 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 640 A 7.61 4.48 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 641 V 7.50 3.52 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 0.99 0.00 0.00 0.93 0.00 0.00 642 T 7.78 3.80 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 643 T 7.18 3.52 4.28 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 0.96 0.00 0.00 644 Y 8.22 3.93 0.00 3.12 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 0.00 645 N 8.51 4.52 0.00 3.03 2.83 0.00 0.00 7.24 7.64 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 0.00 646 G 8.02 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.32 4.28 0.00 2.89 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 0.00 648 L 7.58 4.02 0.00 1.73 1.69 1.01 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 649 T 7.65 4.15 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 650 S 7.75 4.58 0.00 4.00 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 0.00 651 S 7.89 4.13 0.00 3.83 3.72 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 * Residues marked with a * may have inaccurate shift predictions.