NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 423 G 3.9841 8.3393 109.7370 45.4411 0.0000 173.0907 424 S 3.9091 8.6447 113.0069 60.5661 63.0687 172.3841 425 H 4.8812 8.1087 118.4568 54.8326 28.6035 175.2240 426 M 4.4973 8.3786 123.2289 53.7411 34.8523 174.2967 427 A 4.3734 7.6709 128.2768 52.2374 19.6163 176.4555 428 V 4.2428 8.5609 120.6116 61.0893 34.0962 174.5471 429 I 4.5910 8.3875 129.5382 60.6729 38.0052 175.4071 430 T 4.7160 8.4538 116.3320 58.6954 71.8936 173.2470 431 P 3.6212 0.0000 0.0000 65.0455 31.3636 178.0112 432 Q 4.3758 7.8548 115.7511 55.5381 28.9996 176.2089 433 G 3.8195 8.0128 106.6715 44.0426 0.0000 172.8765 434 V 4.1680 8.1188 118.7208 62.8767 32.2173 176.0192 435 T 4.7103 8.7777 116.2267 60.0098 71.9605 172.7533 436 N 4.3778 8.7679 115.5126 53.4357 35.7547 176.5667 437 W 5.2594 7.9126 127.4426 56.0486 31.9116 173.9441 438 T 4.4041 8.7387 117.0965 60.1750 71.3796 174.8319 439 Y 3.7807 8.3139 121.9476 60.8811 38.7057 178.0288 440 Q 3.7217 7.8878 119.8575 59.1158 29.1523 178.1180 441 E 3.5522 7.6151 119.5039 58.9811 29.4024 179.0322 442 L 3.4038 6.6884 120.2750 57.7874 42.0166 178.5221 443 E 3.5970 7.7371 119.2566 59.1867 29.4734 178.7144 444 A 3.8899 7.6253 120.6754 55.3036 18.3102 179.7688 445 T 3.7941 7.8244 114.2762 66.9674 68.4803 176.2087 446 H 3.9915 8.5832 120.5040 59.5320 29.8293 177.2667 447 Q 3.9404 8.3177 119.5764 58.7843 28.5709 178.6328 448 A 3.9567 8.0103 121.7751 55.1380 18.4509 179.5652 449 L 3.9022 8.0844 117.8398 58.2693 41.6356 179.8968 450 T 4.0624 8.0918 115.7874 66.8929 68.1967 176.7368 451 R 3.9774 7.9139 118.6015 59.2204 30.1912 178.1102 452 E 4.3699 7.8789 115.2090 56.5360 29.8647 177.3745 453 G 3.8596 8.2023 108.5158 45.2763 0.0000 172.7456 454 Y 5.0002 7.6525 116.4309 56.8084 39.7250 175.3175 455 V 4.5707 8.9331 121.4022 60.8159 34.9809 174.5602 456 F 3.8990 9.0722 130.3762 58.5645 39.3545 174.8403 457 V 3.9596 8.8252 117.6741 59.6453 33.7133 175.8326 458 G 3.7564 5.3800 110.6920 45.0237 0.0000 170.4976 459 Y 5.1594 8.2638 117.9313 57.3224 39.9420 174.6023 460 H 5.1335 9.7358 123.3016 54.4712 32.5889 172.4437 461 G 4.4469 8.6751 113.2242 45.6994 0.0000 172.2785 462 T 4.9731 8.7448 117.0928 62.0026 71.7249 172.2332 463 N 5.0197 8.6874 120.0803 52.1485 38.4478 175.5733 464 H 4.3595 8.6312 114.0222 58.2579 28.4066 177.9248 465 V 3.5263 7.5656 120.7182 65.9788 31.5844 177.6833 466 A 4.0099 8.4779 120.3333 55.0522 18.1757 179.4581 467 A 3.9962 8.1471 119.4667 55.3447 18.4589 179.6349 468 Q 3.9233 7.8855 118.0464 59.5278 29.1227 178.5715 469 T 3.8732 7.6963 116.9032 66.8123 68.2981 176.7136 470 I 3.7859 7.7353 120.4593 64.3694 37.1922 178.4030 471 V 3.7352 7.7418 118.2216 65.8360 31.3597 177.6160 472 N 4.4733 8.1482 115.6343 54.4961 38.7633 175.6053 473 R 4.2739 7.1992 114.3622 55.5514 33.8857 173.6933 474 I 4.1078 8.6415 126.6511 60.9020 37.7431 175.1408 475 A 4.5751 8.1733 127.1705 49.6595 21.9997 174.0064 476 P 2.9700 0.0000 0.0000 61.6434 32.4441 175.3683 *485 N 4.9669 8.5896 114.5734 53.9900 40.3985 176.2635 486 E 4.0938 8.3406 116.1130 59.4300 30.1829 178.0167 487 E 4.1475 8.4138 119.2592 59.1380 30.2031 178.3553 488 K 3.7564 8.3278 119.5127 58.9556 32.2408 177.6948 489 W 4.8892 8.3282 116.1944 56.2190 29.1948 176.5688 490 G 3.9655 8.1365 108.3637 44.7276 0.0000 174.6107 491 G 2.7273 8.0286 109.4105 44.6504 0.0000 170.5008 492 L 4.1685 6.6797 122.1813 53.9469 43.0841 175.4352 493 Y 4.7881 8.7156 124.3586 57.2203 39.2431 175.3032 494 V 4.9571 8.9154 115.8519 59.8504 37.1101 174.0225 495 A 5.1402 9.1905 123.3604 50.5612 21.8475 177.7908 496 T 4.1416 8.9705 111.5997 64.0485 69.6877 174.1481 497 H 4.7008 8.3281 122.5865 54.6799 30.2631 175.0204 498 A 3.8076 8.7096 129.9278 55.3545 18.1908 178.5923 499 E 3.7890 7.8295 117.1125 59.1109 29.4040 179.1345 500 V 3.6343 7.6930 117.6198 66.0785 31.9813 177.6098 501 A 4.3649 8.1297 120.0063 55.5028 18.2776 178.8972 502 H 4.2450 8.6004 117.1131 59.1843 29.6592 177.6872 503 G 3.5281 7.9310 106.4307 46.9649 0.0000 174.1685 504 Y 4.4907 7.9795 116.8470 57.3247 39.7422 175.6252 505 A 4.8633 7.6039 126.8602 49.3464 17.6191 176.4552 506 R 4.8125 7.0064 115.6746 54.5108 32.0742 175.8234 507 I 4.0549 8.1509 120.5322 61.4805 37.6826 176.7978 508 K 4.6884 8.6536 119.9316 56.0461 33.9491 175.7421 509 E 4.7920 8.2385 119.2439 54.3492 32.1810 175.7886 510 G 3.6161 8.8193 113.2580 45.6726 0.0000 173.1608 511 T 4.3600 9.0936 112.2135 60.9580 69.4090 174.9449 512 G 3.8691 8.0043 113.3512 44.4956 0.0000 173.0514 513 E 3.8619 8.3560 116.6187 57.4507 29.9321 176.5751 514 Y 3.6101 8.7623 116.8584 59.0923 35.5562 170.8787 515 G 3.9537 8.0777 105.4190 45.8258 0.0000 174.5379 516 L 4.2249 7.8609 120.1382 53.3899 42.2360 175.1925 517 P 4.4929 0.0000 0.0000 62.4724 32.1111 176.8392 518 T 4.1712 8.2625 110.8709 61.0351 71.0758 175.5518 519 R 3.8073 8.4495 120.5312 59.6718 30.0258 178.2254 520 A 3.9828 7.9192 119.9254 55.2325 18.1833 179.3188 521 E 3.9335 7.8594 116.2908 59.5677 29.5547 179.4868 522 R 4.1089 7.9152 117.4531 59.1946 30.2438 178.3206 523 D 4.5538 8.1632 116.6662 55.0814 41.2291 176.6548 524 A 4.5244 7.0682 120.5742 52.0445 19.2836 177.0600 525 R 4.7695 8.9419 117.8809 54.4645 34.4256 176.4591 526 G 4.0677 8.9531 110.0912 45.7026 0.0000 172.0264 527 V 4.8791 8.8092 118.8626 61.3092 35.0992 174.6342 528 M 4.8925 8.7684 126.8138 54.3602 33.6428 175.0328 529 L 5.3450 9.3024 124.0861 53.1536 45.4685 175.4889 530 R 5.1205 9.4603 121.1008 54.7046 32.5573 175.2477 531 V 4.9756 8.6167 124.4067 61.4214 33.9835 173.9677 532 Y 5.3343 9.3090 125.0341 56.1257 41.5656 174.6063 533 I 5.0357 8.5469 115.9998 58.1500 41.3158 173.3717 534 P 4.2274 0.0000 0.0000 62.3446 32.0382 177.7368 535 R 3.7472 8.7707 119.8919 59.6688 29.1274 179.1303 536 A 3.9837 7.8512 120.4703 54.8165 18.3859 179.2584 537 S 4.2289 8.1568 113.4094 60.7916 62.7457 176.3869 538 L 3.9000 7.7461 122.0655 57.1233 41.0041 178.6790 539 E 4.0038 7.8380 118.2327 58.0498 29.8522 176.7496 540 R 4.0258 8.0145 118.5567 55.8416 31.6472 175.4796 541 F 4.6111 7.6340 123.2131 56.7028 40.2902 173.7670 542 Y 4.9430 8.1229 123.3054 56.3588 40.2760 174.5360 543 R 4.9309 8.4603 120.5172 55.0983 33.4012 174.0418 544 T 4.8663 9.0714 118.9800 60.4851 70.7502 174.2881 545 N 4.5688 8.8772 122.3138 54.7112 39.2523 175.8492 546 T 4.0960 7.6287 116.3769 62.1357 69.2587 172.7968 547 P 4.4429 0.0000 0.0000 62.9474 32.1223 177.3766 548 L 3.9931 8.7569 122.8230 57.8808 41.7535 179.4721 549 E 3.4347 7.9758 116.8239 58.6629 29.3859 177.3286 550 N 4.7806 8.2043 113.4123 53.1761 39.2138 175.3857 551 A 4.6797 8.0172 120.1172 51.9199 19.3832 178.3162 552 E 3.8454 8.2583 122.9940 60.4643 29.6692 178.8063 553 E 3.8775 8.0945 118.0762 59.5851 29.5383 178.6167 554 H 4.0487 8.0732 117.6045 59.2860 29.9419 177.0724 555 I 2.9172 7.8202 122.1515 64.4256 36.8902 178.6102 556 T 3.8651 7.8385 112.0633 64.1336 68.2430 176.3375 557 Q 3.8593 7.7167 121.7462 58.8996 29.1422 178.0969 558 V 3.5849 7.4991 118.7391 65.6897 31.7117 177.5819 559 I 3.9617 7.7541 111.1026 61.2160 37.7904 176.8018 560 G 3.8527 9.2753 108.6108 45.6249 0.0000 172.2905 561 H 4.6359 7.1420 113.4724 54.1276 30.8337 173.1579 562 S 4.3190 8.3485 114.7652 57.5172 63.6282 174.0887 563 L 3.9769 7.9118 121.3092 54.0519 41.8456 175.4919 564 P 4.8054 0.0000 0.0000 61.0649 32.3871 176.0628 565 L 4.3415 8.1352 118.9437 55.3794 43.5361 175.5040 566 R 4.4639 9.5322 120.1406 56.7030 29.0703 178.6831 567 N 5.0305 9.0327 122.9201 52.3468 37.5326 172.2050 568 E 5.0689 7.4294 119.2405 55.3310 35.0234 174.9475 569 A 5.0293 8.8887 122.3284 50.1902 23.0309 174.9071 570 F 4.7677 8.9036 121.6653 56.6183 42.9507 173.8724 571 T 5.0693 8.3230 121.8997 61.9081 72.0845 173.2351 572 G 4.2840 8.4146 110.0750 44.8813 0.0000 170.7639 573 P 4.9639 0.0000 0.0000 62.7967 31.7802 177.9087 574 E 4.3359 9.4884 122.6162 59.0454 30.9095 176.6309 575 S 4.4777 7.7622 112.8873 56.4162 65.9070 173.0101 576 A 4.1430 8.3199 124.3510 53.5297 18.3367 178.3459 577 G 3.8746 8.9472 110.5717 45.4303 0.0000 173.5577 578 G 4.1260 7.7863 107.1028 44.0839 0.0000 173.6506 579 E 4.4486 8.5011 119.2416 55.8515 30.9360 176.5381 580 D 5.1500 8.6077 121.0489 54.5023 41.9013 175.7355 581 E 4.9207 9.3412 118.8754 54.9073 33.6116 174.5629 582 T 4.9176 8.8965 117.6408 61.8250 72.0693 173.0308 583 V 3.5881 8.5269 127.2912 61.1497 33.2706 174.5464 584 I 4.3003 8.2775 130.6146 59.5875 38.3621 176.0079 585 G 3.9499 8.7069 115.3616 45.4076 0.0000 174.3361 586 W 4.5219 8.7872 121.9735 59.8399 28.9103 178.6892 587 D 4.5245 8.2444 117.4972 57.0799 40.5448 177.8456 588 M 4.3051 8.0579 118.2369 58.2842 32.5108 177.9037 589 A 4.1227 8.3895 121.4543 54.8087 18.3060 179.3054 590 I 3.9942 7.9516 110.6385 63.4936 37.6214 176.9918 591 H 4.8163 7.9489 116.2608 54.9389 29.2159 174.4898 592 A 4.9419 7.6512 123.9543 51.2001 20.1676 177.1841 593 V 4.6088 8.9769 117.8419 59.8806 34.8981 174.5759 594 A 5.5624 8.6817 123.8270 50.2370 21.6429 175.3824 595 I 4.6700 8.7770 114.5917 58.0988 41.3852 173.2611 596 P 4.8441 0.0000 0.0000 63.0073 31.8164 176.2628 597 S 4.9303 9.2010 119.2770 58.3446 63.3375 173.9975 598 T 4.5263 9.8136 112.3132 61.7845 69.1638 175.1282 599 I 3.9231 7.9508 125.0708 60.4408 37.3962 174.3009 600 P 4.3702 0.0000 0.0000 62.6035 31.7457 176.5931 601 G 4.2397 8.3608 108.6275 45.8655 0.0000 171.0303 602 N 5.0716 8.4368 118.0906 52.5880 41.8109 173.2891 603 A 4.9092 8.5897 119.1551 50.8598 22.4119 176.4155 604 Y 4.2950 8.8892 119.3899 59.8269 38.7412 176.5812 605 E 4.2695 8.0820 119.2467 54.7062 30.0287 176.0892 606 E 4.3379 8.5443 123.9845 56.3271 30.2446 176.4329 607 L 4.8119 8.3510 120.7356 52.4258 45.1130 176.4857 608 A 4.1250 8.3614 124.4552 51.7215 19.0355 177.6656 609 I 3.3888 7.9507 121.7941 60.8881 38.7835 176.3571 610 D 4.5562 8.2871 125.4112 53.3898 40.7701 176.7057 611 E 3.9689 8.4892 127.6339 59.0031 29.5983 178.5315 612 E 3.8561 8.2551 118.9266 59.2106 29.7695 178.6076 613 A 3.9741 8.1537 120.5702 54.7652 18.2441 179.6967 614 V 3.4715 7.5716 115.9024 66.1689 31.8850 177.8215 615 A 4.0807 8.2481 120.7806 55.0377 17.9828 179.4637 616 K 3.6164 7.8799 117.1676 59.2401 32.6130 178.0353 617 E 4.3981 7.9356 116.5873 56.9800 29.7537 178.3321 618 Q 4.0742 7.8838 119.4532 59.2074 28.4198 178.6105 619 S 4.2414 8.1033 114.9941 60.1455 63.0432 175.2817 620 I 4.3462 7.1638 114.3885 60.3696 37.7176 175.5686 621 S 3.7799 7.7155 115.5231 58.4062 63.9598 174.6159 622 T 4.2054 7.9285 109.4606 61.0433 69.3671 174.2092 623 K 4.1704 8.4797 122.8689 55.9018 32.6904 175.4291 624 P 4.3556 0.0000 0.0000 61.2923 32.1637 174.2645 625 P 4.2783 0.0000 0.0000 62.8732 31.9761 175.1218 626 Y 5.0172 8.1098 117.1366 56.2012 41.5457 175.5944 627 K 4.3908 9.0869 122.3480 55.8554 33.2207 176.7901 628 E 4.3737 8.5554 125.5525 56.6119 29.1841 174.6622 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 423 G 8.34 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 0.00 424 S 8.64 3.91 0.00 4.01 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 0.00 425 H 8.11 4.88 0.00 3.29 3.47 0.00 5.72 0.00 0.00 0.00 0.00 6.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 426 M 8.38 4.50 0.00 1.91 2.03 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.55 0.00 427 A 7.67 4.37 0.27 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 0.00 428 V 8.56 4.24 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 0.81 0.00 0.00 0.98 0.00 0.00 429 I 8.39 4.59 2.05 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 1.38 0.60 1.00 0.00 0.00 430 T 8.45 4.72 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 1.22 0.00 0.00 431 P 0.00 3.62 0.00 2.11 1.94 0.00 3.54 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.03 0.00 432 Q 7.85 4.38 0.00 2.05 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.28 0.00 0.00 0.00 0.00 0.00 2.34 2.33 0.00 433 G 8.01 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 434 V 8.12 4.17 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 0.88 0.00 0.00 0.97 0.00 0.00 435 T 8.78 4.71 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 1.24 0.00 0.00 436 N 8.77 4.38 0.00 2.94 3.02 0.00 0.00 6.59 7.68 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 0.00 437 W 7.91 5.26 0.00 3.33 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 0.00 438 T 8.74 4.40 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 0.00 439 Y 8.31 3.78 0.00 3.09 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 0.00 440 Q 7.89 3.72 0.00 2.09 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.69 0.00 0.00 0.00 0.00 0.00 2.26 2.35 0.00 441 E 7.62 3.55 0.00 1.38 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 2.10 2.09 0.00 442 L 6.69 3.40 0.00 1.10 1.18 1.21 0.85 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 0.00 443 E 7.74 3.60 0.00 1.16 1.63 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 2.17 2.40 0.00 444 A 7.63 3.89 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 0.00 445 T 7.82 3.79 4.51 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 1.27 0.00 0.00 446 H 8.58 3.99 0.00 3.24 3.48 0.00 5.78 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 447 Q 8.32 3.94 0.00 2.21 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.66 2.51 0.00 448 A 8.01 3.96 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 0.00 0.00 0.00 0.00 0.00 449 L 8.08 3.90 0.00 1.48 1.40 -0.04 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 450 T 8.09 4.06 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 1.22 0.00 0.00 451 R 7.91 3.98 0.00 2.04 2.01 0.00 3.15 0.00 0.00 3.22 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 452 E 7.88 4.37 0.00 2.34 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 0.00 2.39 2.41 0.00 453 G 8.20 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 0.00 0.00 0.00 454 Y 7.65 5.00 0.00 3.02 3.03 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 0.00 0.00 0.00 455 V 8.93 4.57 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 0.91 0.00 0.00 0.89 0.00 0.00 456 F 9.07 3.90 0.00 2.54 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 0.00 457 V 8.83 3.96 2.04 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.32 0.00 540 R 8.01 4.03 0.00 1.75 1.87 0.00 3.28 0.00 0.00 3.14 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.50 0.00 541 F 7.63 4.61 0.00 2.96 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 0.00 542 Y 8.12 4.94 0.00 1.43 1.72 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 0.00 543 R 8.46 4.93 0.00 1.14 1.68 0.00 2.21 0.00 0.00 3.01 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.28 0.00 544 T 9.07 4.87 4.55 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 1.45 0.00 0.00 545 N 8.88 4.57 0.00 2.74 2.84 0.00 0.00 7.00 7.54 0.00 0.00 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 T 7.63 4.10 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 1.19 0.00 0.00 547 P 0.00 4.44 0.00 2.32 1.96 0.00 3.58 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.11 0.00 548 L 8.76 3.99 0.00 1.58 1.53 1.03 0.83 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 0.00 549 E 7.98 3.43 0.00 1.82 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 1.97 2.10 0.00 550 N 8.20 4.78 0.00 2.75 2.81 0.00 0.00 6.81 6.92 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 0.00 551 A 8.02 4.68 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 0.00 552 E 8.26 3.85 0.00 2.23 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 2.28 2.19 0.00 553 E 8.09 3.88 0.00 2.04 1.96 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 2.38 2.36 0.00 554 H 8.07 4.05 0.00 3.20 3.39 0.00 5.87 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 555 I 7.82 2.92 1.61 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 -0.30 -0.07 0.44 0.00 0.00 556 T 7.84 3.87 4.17 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 0.00 0.00 0.00 1.08 0.00 0.00 557 Q 7.72 3.86 0.00 2.15 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 7.00 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 558 V 7.50 3.58 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 0.21 0.00 0.00 0.75 0.00 0.00 559 I 7.75 3.96 1.93 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.36 0.92 0.00 0.00 560 G 9.28 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 561 H 7.14 4.64 0.00 3.29 3.37 0.00 5.66 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 562 S 8.35 4.32 0.00 3.94 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 0.00 563 L 7.91 3.98 0.00 1.35 1.48 -0.27 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 564 P 0.00 4.81 0.00 2.21 2.29 0.00 3.36 0.00 0.00 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 565 L 8.14 4.34 0.00 1.61 1.79 0.95 0.93 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 0.00 566 R 9.53 4.46 0.00 1.85 1.27 0.00 2.90 0.00 0.00 3.01 7.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.66 0.00 567 N 9.03 5.03 0.00 2.74 2.80 0.00 0.00 6.66 7.65 0.00 0.00 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 E 7.43 5.07 0.00 2.09 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 2.58 2.53 0.00 569 A 8.89 5.03 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.90 4.77 0.00 3.15 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 0.00 571 T 8.32 5.07 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 1.03 0.00 0.00 572 G 8.41 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 0.00 0.00 0.00 0.00 573 P 0.00 4.96 0.00 2.09 2.02 0.00 3.80 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.08 0.00 574 E 9.49 4.34 0.00 2.08 2.25 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 2.34 2.54 0.00 575 S 7.76 4.48 0.00 3.95 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 0.00 576 A 8.32 4.14 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 0.00 577 G 8.95 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 0.00 0.00 0.00 578 G 7.79 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 0.00 0.00 0.00 579 E 8.50 4.45 0.00 1.95 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 2.39 2.31 0.00 580 D 8.61 5.15 0.00 2.60 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 0.00 581 E 9.34 4.92 0.00 2.09 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.29 0.00 582 T 8.90 4.92 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 0.99 0.00 0.00 583 V 8.53 3.59 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 0.59 0.00 0.00 0.40 0.00 0.00 584 I 8.28 4.30 1.72 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.56 0.91 0.00 0.00 585 G 8.71 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 0.00 586 W 8.79 4.52 0.00 3.49 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 0.00 587 D 8.24 4.52 0.00 2.85 2.82 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 0.00 0.00 0.00 588 M 8.06 4.31 0.00 2.25 2.22 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 2.73 2.70 0.00 589 A 8.39 4.12 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 0.00 0.00 0.00 0.00 0.00 590 I 7.95 3.99 1.86 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 1.81 0.34 1.14 0.00 0.00 591 H 7.95 4.82 0.00 3.32 3.44 0.00 5.84 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 592 A 7.65 4.94 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 0.00 593 V 8.98 4.61 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 0.39 0.00 0.00 0.74 0.00 0.00 594 A 8.68 5.56 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 0.00 595 I 8.78 4.67 1.91 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.22 0.83 0.00 0.00 596 P 0.00 4.84 0.00 1.46 1.95 0.00 3.15 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.94 0.00 597 S 9.20 4.93 0.00 4.31 4.17 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 0.00 0.00 0.00 0.00 598 T 9.81 4.53 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 1.26 0.00 0.00 599 I 7.95 3.92 1.85 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.58 0.84 0.00 0.00 600 P 0.00 4.37 0.00 2.08 2.03 0.00 3.69 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.13 0.00 601 G 8.36 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 0.00 0.00 0.00 0.00 602 N 8.44 5.07 0.00 2.54 2.67 0.00 0.00 7.29 7.98 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 0.00 603 A 8.59 4.91 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 0.00 604 Y 8.89 4.30 0.00 2.93 3.07 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 0.00 605 E 8.08 4.27 0.00 2.05 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 2.40 2.40 0.00 606 E 8.54 4.34 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 2.22 2.21 0.00 607 L 8.35 4.81 0.00 1.62 1.55 0.95 0.81 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 0.00 608 A 8.36 4.13 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 0.00 609 I 7.95 3.39 1.76 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.54 0.83 0.00 0.00 610 D 8.29 4.56 0.00 2.73 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.49 3.97 0.00 1.99 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 2.36 2.28 0.00 612 E 8.26 3.86 0.00 2.00 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 2.33 2.34 0.00 613 A 8.15 3.97 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 0.00 614 V 7.57 3.47 2.17 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 0.81 0.00 0.00 0.85 0.00 0.00 615 A 8.25 4.08 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 0.00 0.00 0.00 0.00 0.00 616 K 7.88 3.62 0.00 1.68 1.57 0.00 1.60 0.00 0.00 1.40 0.00 0.00 2.87 0.00 0.00 2.89 0.00 0.00 0.00 0.00 0.31 1.04 7.81 617 E 7.94 4.40 0.00 2.16 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 2.54 2.55 0.00 618 Q 7.88 4.07 0.00 2.32 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.80 0.00 0.00 0.00 0.00 0.00 2.47 2.34 0.00 619 S 8.10 4.24 0.00 4.04 4.03 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 0.00 0.00 0.00 620 I 7.16 4.35 1.25 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 1.62 0.53 0.88 0.00 0.00 621 S 7.72 3.78 0.00 3.77 3.50 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.93 4.21 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 1.23 0.00 0.00 623 K 8.48 4.17 0.00 1.86 1.92 0.00 2.02 0.00 0.00 1.90 0.00 0.00 3.12 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.62 1.57 7.81 624 P 0.00 4.36 0.00 1.63 1.83 0.00 3.73 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.72 0.00 625 P 0.00 4.28 0.00 2.10 2.00 0.00 3.44 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.86 0.00 626 Y 8.11 5.02 0.00 2.90 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 627 K 9.09 4.39 0.00 1.62 1.86 0.00 1.69 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.37 1.41 7.81 628 E 8.56 4.37 0.00 2.00 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 2.25 2.52 0.00 * Residues marked with a * may have inaccurate shift predictions.