NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 431 D 4.5653 8.2114 119.5467 53.0573 42.7341 177.1222 432 G 3.7562 8.3392 105.0633 48.3204 0.0000 174.7084 433 R 4.2007 8.2836 123.7796 61.2714 29.7025 179.3748 434 L 4.5705 7.8824 122.1796 59.9549 40.8307 184.3774 435 R 4.5340 8.0187 120.9887 62.4779 29.4972 184.8507 436 V 4.0953 7.6601 118.0157 64.7296 32.2972 179.9882 437 L 4.5122 7.7992 120.2525 55.1275 42.4229 177.0485 438 K 4.3587 8.4425 123.0246 52.0392 33.9444 175.0715 439 P 2.9700 0.0000 0.0000 64.3347 30.8976 178.4513 440 E 3.9228 8.0349 116.7857 59.7117 29.3065 179.4702 *441 W 3.8862 7.8676 123.1099 60.1647 28.3745 181.1889 442 F 4.7546 8.3087 117.9994 59.8222 40.1968 175.9230 443 R 4.8919 7.6055 118.6796 57.4449 28.7769 178.1490 444 G 4.0211 9.2976 112.4874 44.5391 0.0000 172.4787 445 R 4.7629 8.4573 119.1330 54.5785 33.4576 174.6904 446 D 5.3456 9.4784 120.9710 53.3653 42.4598 176.0511 447 V 4.9449 9.3431 123.7196 60.9404 34.5681 174.2944 448 L 4.3158 8.5652 129.6126 53.2671 44.2025 174.7012 449 D 4.9622 9.0771 128.2758 52.7962 41.8054 174.9609 450 L 4.0416 8.7653 127.3282 54.5493 42.2531 177.8409 451 G 3.9448 8.4005 112.1487 46.8262 0.0000 173.0465 452 C 4.3274 8.7577 113.4870 58.2586 31.9113 175.4024 453 N 3.8207 8.2108 119.4256 55.2820 38.1644 175.2666 454 V 3.6631 8.2770 108.6242 61.2525 31.7974 177.2359 455 G 4.1343 8.5905 111.2985 45.0097 0.0000 175.9163 *456 H 4.0420 8.2745 121.0395 59.7529 27.6676 181.4782 457 L 4.0379 7.8242 122.6551 58.1998 41.8844 178.6987 458 T 3.8593 8.0468 115.2023 66.9426 68.2974 176.2948 459 L 4.1235 8.5010 120.9568 57.8511 41.6079 179.7050 460 S 3.7925 7.8966 115.0891 61.4382 62.6543 176.9196 461 I 3.0256 7.6617 122.4048 64.0530 36.6116 178.1494 462 A 4.0262 7.5061 120.3301 56.0294 18.5227 178.6128 463 C 3.8383 8.1448 120.1637 62.0883 31.2617 176.2129 464 K 3.8024 8.0225 123.7935 56.8936 31.7243 180.0618 465 W 4.9553 8.3254 117.1129 55.3586 30.2609 175.5902 466 G 4.3768 7.7438 105.8658 46.1380 0.0000 171.3040 467 P 5.0645 0.0000 0.0000 62.4532 32.7052 177.3474 468 S 4.3597 8.3837 116.5554 61.5443 63.7252 173.5396 469 R 4.5964 7.6040 118.4812 54.9999 34.2206 173.3011 *471 V 4.0839 8.3006 118.5414 62.7590 33.0422 174.2969 472 G 4.3924 8.6312 116.1619 44.8046 0.0000 171.9131 473 L 5.4559 8.7938 128.3405 53.4944 44.9155 174.6178 474 D 4.9843 8.8176 123.7610 53.0166 44.6274 175.8882 475 I 4.2489 8.5469 122.6656 62.1385 38.7223 175.6193 476 D 4.7924 8.3457 120.6867 52.5529 42.2655 176.9536 477 S 4.2431 8.5994 123.0512 61.1248 63.1763 176.5721 478 R 3.8679 8.5332 122.5831 59.1827 29.7344 178.8442 479 L 3.9036 7.7835 118.1659 57.8876 41.7320 179.3595 480 I 3.4938 7.5143 119.2250 64.5437 37.0860 177.8890 481 H 4.0380 8.3637 119.0376 59.4310 29.8423 177.2409 482 S 4.0120 8.0111 114.5835 61.2589 61.9001 175.9881 483 A 3.9345 7.5623 124.3735 54.5475 18.0155 179.5772 484 R 4.0504 7.4927 115.5758 59.3667 30.5261 179.0154 485 Q 4.1516 7.8191 117.5474 58.1788 28.4038 176.8306 486 N 4.8960 7.5552 116.2289 52.9253 39.5246 174.4715 487 I 4.5134 7.1107 122.4542 59.9412 40.5800 176.0755 *539 V 3.9747 7.9085 117.3977 59.8413 32.7968 172.7897 540 P 4.6545 0.0000 0.0000 62.1555 31.8647 176.9036 541 L 4.0915 9.2919 122.7011 57.4186 41.8991 176.7975 542 D 4.3636 7.3198 114.9708 53.2768 41.8401 176.5395 543 G 3.5258 8.8504 106.9312 48.2635 0.0000 174.3461 544 A 4.1168 8.5451 121.8352 52.9866 18.8511 177.0269 545 D 4.7042 8.1163 116.5545 52.8958 40.2381 175.1894 546 T 4.6093 8.1572 115.6008 61.2032 69.1679 176.6028 547 S 4.5651 7.8360 116.3372 59.1078 64.0741 174.1301 548 V 4.4970 7.2747 120.8455 60.3143 34.0904 174.1869 549 F 5.0033 9.1311 127.3657 57.7571 39.5834 172.9561 550 P 3.1817 0.0000 0.0000 62.4933 31.3266 175.9854 551 N 4.5109 8.0906 115.9195 54.3491 38.8022 175.1591 552 N 5.0175 8.2034 115.1274 51.4304 37.9816 174.1082 553 V 4.7391 7.3551 117.7021 60.3513 34.2122 175.1120 554 V 4.5017 7.9584 115.0463 59.7660 36.5382 173.8403 555 F 5.4541 8.7025 119.8202 55.8555 42.0888 175.0697 556 V 4.5925 9.1398 121.8380 61.4960 35.1582 174.1058 557 T 5.0260 8.4740 123.3296 62.2396 69.6717 174.4618 558 G 4.0825 8.7818 112.9436 45.9410 0.0000 171.6195 559 N 4.9498 8.7648 121.0601 52.2165 38.9914 174.6304 560 Y 4.0617 8.7184 127.9324 59.5093 39.2910 175.5247 561 V 3.5883 7.6256 120.2055 61.8558 31.4576 175.3977 562 L 4.2738 7.8758 127.4903 53.9739 42.5354 177.1152 563 D 4.4889 8.5643 121.6526 56.6806 41.3830 177.4430 564 R 4.7624 7.4420 115.9589 53.5430 35.4683 175.9267 565 D 4.4176 8.5601 120.6494 57.4570 40.6560 178.8223 566 D 4.4148 7.9770 118.6235 56.0353 39.7267 178.3410 567 L 4.0524 7.8014 120.1098 57.7976 41.9178 179.0166 568 V 3.4795 7.4719 117.6544 66.2287 31.1443 177.0509 569 E 4.2051 7.8580 115.5132 57.3997 29.6971 177.3339 570 A 4.3352 7.9272 119.4257 52.8607 19.4084 177.1238 571 Q 4.1174 7.4288 119.7513 56.3415 29.4385 175.8225 572 T 4.6819 8.2949 116.1945 59.2258 71.5432 172.4118 573 P 4.7613 0.0000 0.0000 63.1408 31.5621 176.3188 574 E 4.5855 9.8177 119.7324 55.7949 32.9488 174.8071 575 Y 4.8234 7.9930 115.9951 56.3644 41.8614 175.7166 576 D 4.7090 9.2765 120.1441 55.2491 43.3274 176.9095 577 V 4.8812 7.7248 117.7819 61.1675 35.3692 173.7573 578 V 4.7032 8.6713 127.2939 61.0673 34.4365 173.9245 579 L 4.7818 9.1679 128.4183 53.8678 43.3774 175.3422 580 C 4.8178 9.2954 125.0098 56.9733 32.1372 170.3267 581 L 4.9152 8.1979 120.7065 52.7215 43.5561 176.1964 582 S 4.0083 8.8470 121.0620 60.0041 61.3763 173.6504 583 L 4.8491 7.9621 121.6392 56.1349 43.7241 176.6436 584 T 3.8637 8.1452 109.4567 64.8414 68.2324 175.9588 585 K 3.5628 7.7822 122.9735 58.4857 32.0667 178.9322 586 W 4.2558 7.7158 118.6067 59.6528 28.9787 178.6236 587 V 4.3538 8.0854 118.2982 66.2097 30.9589 177.4587 588 H 4.2788 8.7334 118.4871 59.5415 29.6167 177.2849 589 L 4.0072 8.2673 120.9960 57.8436 41.2647 179.0480 590 N 4.1533 7.7738 114.6587 54.5328 38.7183 175.9677 591 W 4.9573 7.9806 116.9651 55.1117 31.9954 176.2947 592 G 4.2048 8.5899 110.6296 44.5535 0.0000 174.2090 593 D 4.4912 8.9717 119.7244 58.3092 40.5725 179.9343 594 E 4.0876 8.2505 117.9960 61.2140 29.6528 181.2811 595 G 3.8493 7.9297 105.7586 47.4236 0.0000 175.2676 596 L 3.7681 7.6638 121.8001 57.7399 42.3679 178.8959 597 K 4.3337 8.1882 118.6603 59.2585 31.7966 178.6266 598 R 4.3614 7.6253 117.2490 56.6633 30.3472 178.6119 *600 F 5.1491 7.9935 118.9767 57.8866 41.1523 177.5932 601 R 4.0122 8.3720 120.1507 59.3412 29.7090 178.4863 602 R 3.8784 8.3330 118.7409 59.4628 30.1214 178.2856 603 I 3.9737 8.1670 119.1803 64.8322 36.9460 177.3512 604 Y 3.7860 8.0682 118.6091 60.9700 38.6888 178.4217 605 R 3.9986 8.1159 117.1190 59.0322 30.3844 178.0514 606 H 4.6858 8.5376 118.2699 57.6179 30.0213 174.7930 607 L 4.8519 7.0254 119.7107 54.3030 42.6256 177.2191 608 R 4.3263 8.7098 121.3509 54.6224 31.9866 174.1975 609 P 4.3960 0.0000 0.0000 63.9117 31.4458 177.0122 610 G 3.9262 9.0790 112.9226 44.9493 0.0000 173.7632 611 G 4.0687 8.4197 107.9512 46.0621 0.0000 172.7979 612 I 5.4301 8.8548 113.3977 58.7981 41.5041 173.8737 613 L 5.1480 8.9471 125.8968 53.4095 44.7540 175.0504 614 V 4.7030 9.1067 129.6436 62.2634 33.1310 174.9450 615 L 5.2801 9.2617 130.6197 53.2762 44.5001 171.6533 616 E 5.0915 8.9998 124.9383 51.8092 30.0241 172.7331 617 P 5.2446 0.0000 0.0000 61.0635 32.8092 175.9165 618 Q 4.3445 8.7302 121.5546 54.9491 29.7425 174.6200 619 P 4.6137 0.0000 0.0000 61.8230 32.4646 177.1772 620 W 3.9353 9.1206 130.8785 60.8278 30.5489 178.2570 621 S 4.2408 8.8143 116.4049 62.6413 61.1052 177.6156 622 S 3.9609 8.5255 116.6446 61.2466 62.5772 177.6837 623 Y 3.7062 8.5228 119.0262 61.0949 37.7951 178.7496 624 G 3.6517 7.6726 109.3289 48.9236 0.0000 174.7191 625 K 3.5212 7.2875 122.1057 56.6096 32.3717 179.6538 626 R 3.6917 8.5439 125.0953 57.0459 26.3014 173.3967 627 K 4.3181 7.3686 119.1534 55.7477 32.1235 180.2471 628 T 4.7043 7.5988 111.4867 61.9788 69.9526 179.1573 629 L 4.2453 8.1884 126.9020 58.4869 41.4864 181.6270 630 T 4.8456 7.4631 113.0698 61.5354 73.5491 179.7247 631 E 4.2935 8.8837 124.2706 62.0282 29.6905 181.2376 632 T 4.1239 7.9040 116.4942 66.9209 68.6318 180.2000 633 I 4.3882 7.7290 126.7669 65.0634 35.5912 180.2290 *634 Y 4.5315 8.1547 126.3136 62.1142 36.6053 181.3434 635 K 4.4245 8.4847 126.2084 59.3823 31.5890 180.6260 636 N 4.6575 7.9720 115.6769 56.4111 38.7306 176.5408 637 Y 3.8981 8.2619 121.3221 60.9212 38.4640 177.6275 638 Y 4.5216 7.6784 116.9080 60.0487 38.6365 178.3013 639 R 4.3583 7.6515 120.7668 59.3875 29.6894 181.7360 640 I 4.0826 7.7872 121.4321 63.1499 37.1068 176.3692 641 Q 4.4614 9.5671 123.2049 54.1911 29.0476 171.5663 642 L 4.5736 8.1155 122.3370 54.6470 43.0316 176.7252 643 K 4.4395 8.1440 127.6793 53.0840 32.9873 173.2108 644 P 2.0000 0.0000 0.0000 66.2463 30.8746 179.3648 645 E 3.9519 8.0364 117.6863 61.1516 29.6972 180.8001 646 Q 4.6484 7.7512 117.5670 57.3494 28.7929 181.5834 647 F 4.7424 7.7818 119.3785 61.8615 39.0353 177.5484 648 S 4.0060 7.9347 113.0786 61.6369 62.3844 176.3867 649 S 4.0701 7.8268 115.2423 61.0045 62.6316 174.9538 650 Y 4.2558 8.2631 122.5730 60.4678 38.5930 177.4621 651 L 3.8608 8.3868 120.3090 56.5665 41.2737 178.3503 652 T 5.2194 7.2624 108.8776 59.9083 69.5291 174.4573 653 S 4.5926 6.8532 116.5592 56.5066 64.6449 173.3717 654 P 4.1639 0.0000 0.0000 65.5284 31.2707 177.8342 655 D 4.3303 7.4512 116.4369 56.5734 40.4621 176.7937 656 V 3.7638 7.7834 116.6320 63.3835 32.7141 175.2918 657 G 2.7273 7.8939 110.0142 44.7904 0.0000 173.9162 658 F 4.3171 7.9065 122.8752 59.1399 39.2950 177.1534 659 S 4.4771 9.2351 126.7554 62.3679 62.8517 171.5582 660 S 4.9498 8.2108 114.7006 58.9648 66.6049 177.3547 661 Y 5.5729 8.2962 118.0533 58.5728 40.8043 174.2207 662 E 4.3832 7.9812 115.0399 55.1802 33.9957 173.8112 663 L 4.3629 8.3600 123.7954 55.1531 42.9289 175.1404 664 V 3.9738 8.4599 121.4799 64.7726 33.7270 176.5029 *676 R 4.2448 7.5284 117.1312 54.8394 30.7351 175.6716 677 P 4.4135 0.0000 0.0000 63.1881 32.2092 175.3011 678 V 4.7803 7.7667 118.8739 61.4350 34.7465 173.7298 679 Y 5.2984 9.4782 126.6488 56.8072 42.3686 174.8116 680 L 5.2707 8.8245 123.9749 53.1934 44.3283 175.8447 681 F 5.0909 9.0866 122.4901 55.0996 41.8389 174.1021 682 H 5.4910 9.4587 120.9711 54.1305 31.3979 173.4719 683 K 4.9921 9.1251 124.1486 54.3263 34.0458 175.4265 684 A 4.3820 8.9075 131.3123 52.9864 19.7627 178.3185 685 R 4.1361 8.4697 118.0174 56.4144 29.6723 175.7161 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 431 D 8.21 4.57 0.00 2.62 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 0.00 432 G 8.34 3.76 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 433 R 8.28 4.20 0.00 1.83 1.95 0.00 3.26 0.00 0.00 3.37 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.26 0.00 434 L 7.88 4.57 0.00 1.75 1.62 0.92 0.74 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 0.00 435 R 8.02 4.53 0.00 1.93 1.87 0.00 3.23 0.00 0.00 3.26 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.51 0.00 436 V 7.66 4.10 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 0.98 0.00 0.00 0.93 0.00 0.00 437 L 7.80 4.51 0.00 2.12 2.08 1.09 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 438 K 8.44 4.36 0.00 1.65 1.66 0.00 1.81 0.00 0.00 1.82 0.00 0.00 2.82 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.34 0.99 7.81 439 P 0.00 2.97 0.00 1.71 1.14 0.00 3.22 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.12 0.00 440 E 8.03 3.92 0.00 2.04 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 2.17 2.25 0.00 *441 W 7.87 3.89 0.00 2.63 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 0.00 0.00 0.00 442 F 8.31 4.75 0.00 3.27 3.26 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 0.00 443 R 7.61 4.89 0.00 1.82 1.80 0.00 3.20 0.00 0.00 3.89 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.20 0.00 444 G 9.30 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 0.00 0.00 0.00 445 R 8.46 4.76 0.00 1.81 1.98 0.00 3.28 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.93 0.00 446 D 9.48 5.35 0.00 2.65 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 0.00 447 V 9.34 4.94 2.23 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 0.98 0.00 0.00 1.24 0.00 0.00 448 L 8.57 4.32 0.00 0.27 0.75 0.69 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 449 D 9.08 4.96 0.00 2.79 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 450 L 8.77 4.04 0.00 1.63 1.44 0.45 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 451 G 8.40 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 0.00 0.00 0.00 452 C 8.76 4.33 0.00 3.30 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 453 N 8.21 3.82 0.00 2.82 2.47 0.00 0.00 7.19 8.48 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 0.00 454 V 8.28 3.66 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 0.63 0.00 0.00 0.88 0.00 0.00 455 G 8.59 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 *456 H 8.27 4.04 0.00 2.93 3.11 0.00 7.19 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 457 L 7.82 4.04 0.00 1.72 1.68 0.82 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 458 T 8.05 3.86 4.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 459 L 8.50 4.12 0.00 1.82 1.73 1.07 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 460 S 7.90 3.79 0.00 3.72 3.54 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 0.00 461 I 7.66 3.03 1.66 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.45 0.63 0.00 0.00 462 A 7.51 4.03 1.55 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 0.00 0.00 463 C 8.14 3.84 0.00 1.58 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 464 K 8.02 3.80 0.00 1.80 1.73 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.40 1.30 7.81 465 W 8.33 4.96 0.00 3.48 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 0.00 466 G 7.74 4.38 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 0.00 467 P 0.00 5.06 0.00 2.17 2.18 0.00 3.89 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 2.13 2.24 0.00 468 S 8.38 4.36 0.00 3.93 4.04 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0.00 0.00 0.00 2.45 2.41 0.00 486 N 7.56 4.90 0.00 2.84 2.82 0.00 0.00 6.79 7.05 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 0.00 487 I 7.11 4.51 1.89 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.80 0.90 0.00 0.00 *539 V 7.91 3.97 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 0.00 540 P 0.00 4.65 0.00 2.01 2.22 0.00 3.64 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.29 0.00 541 L 9.29 4.09 0.00 1.60 1.73 0.93 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 0.00 542 D 7.32 4.36 0.00 2.84 2.76 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 0.00 0.00 0.00 0.00 543 G 8.85 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 544 A 8.55 4.12 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 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612 I 8.85 5.43 1.84 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 1.19 0.75 0.94 0.00 0.00 613 L 8.95 5.15 0.00 1.89 1.42 0.96 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 614 V 9.11 4.70 2.20 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 1.07 0.00 0.00 0.97 0.00 0.00 615 L 9.26 5.28 0.00 1.32 1.48 0.92 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 616 E 9.00 5.09 0.00 2.13 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 2.30 2.17 0.00 617 P 0.00 5.24 0.00 2.29 2.45 0.00 4.24 0.00 0.00 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.27 0.00 618 Q 8.73 4.34 0.00 1.99 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.02 0.00 0.00 0.00 0.00 0.00 2.25 2.46 0.00 619 P 0.00 4.61 0.00 2.28 2.06 0.00 3.69 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.15 0.00 620 W 9.12 3.94 0.00 3.25 3.01 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 0.00 0.00 0.00 621 S 8.81 4.24 0.00 4.00 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 0.00 622 S 8.53 3.96 0.00 3.64 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 0.00 623 Y 8.52 3.71 0.00 2.51 2.76 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 0.00 0.00 0.00 0.00 624 G 7.67 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 625 K 7.29 3.52 0.00 1.81 1.67 0.00 1.96 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.40 1.29 7.81 626 R 8.54 3.69 0.00 1.92 1.81 0.00 3.22 0.00 0.00 3.26 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.17 0.00 627 K 7.37 4.32 0.00 1.67 1.79 0.00 1.70 0.00 0.00 1.85 0.00 0.00 3.00 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.41 0.99 7.81 628 T 7.60 4.70 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 0.00 629 L 8.19 4.25 0.00 1.66 1.61 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 630 T 7.46 4.85 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 0.00 631 E 8.88 4.29 0.00 1.97 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 2.31 1.94 0.00 632 T 7.90 4.12 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 0.00 633 I 7.73 4.39 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 1.49 1.52 0.91 0.00 0.00 *634 Y 8.15 4.53 0.00 2.31 2.33 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 0.00 635 K 8.48 4.42 0.00 1.74 1.85 0.00 1.77 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.37 1.36 7.81 636 N 7.97 4.66 0.00 3.01 2.91 0.00 0.00 6.47 8.77 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 0.00 637 Y 8.26 3.90 0.00 2.95 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 638 Y 7.68 4.52 0.00 3.22 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 0.00 639 R 7.65 4.36 0.00 1.89 1.84 0.00 3.27 0.00 0.00 3.22 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.53 0.00 640 I 7.79 4.08 1.84 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 1.27 1.12 1.05 0.00 0.00 641 Q 9.57 4.46 0.00 2.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.79 0.00 0.00 0.00 0.00 0.00 2.19 2.12 0.00 642 L 8.12 4.57 0.00 1.52 1.86 0.96 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 643 K 8.14 4.44 0.00 1.72 1.66 0.00 1.87 0.00 0.00 1.82 0.00 0.00 2.86 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.43 1.03 7.81 644 P 0.00 2.00 0.00 1.99 2.10 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 2.27 2.27 0.00 645 E 8.04 3.95 0.00 2.06 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 2.24 1.96 0.00 646 Q 7.75 4.65 0.00 2.03 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.72 0.00 0.00 0.00 0.00 0.00 2.21 2.24 0.00 647 F 7.78 4.74 0.00 2.96 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 0.00 648 S 7.93 4.01 0.00 2.95 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 649 S 7.83 4.07 0.00 3.88 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 650 Y 8.26 4.26 0.00 3.15 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 651 L 8.39 3.86 0.00 1.10 1.06 -0.61 -0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 652 T 7.26 5.22 4.33 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 1.54 0.00 0.00 653 S 6.85 4.59 0.00 3.98 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 0.00 654 P 0.00 4.16 0.00 2.00 2.12 0.00 3.62 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.08 0.00 655 D 7.45 4.33 0.00 2.34 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 0.00 656 V 7.78 3.76 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 0.87 0.00 0.00 0.67 0.00 0.00 657 G 7.89 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 0.00 0.00 0.00 658 F 7.91 4.32 0.00 3.42 3.24 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 0.00 659 S 9.24 4.48 0.00 3.40 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 0.00 660 S 8.21 4.95 0.00 3.37 3.70 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 0.00 661 Y 8.30 5.57 0.00 1.55 2.38 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 0.00 662 E 7.98 4.38 0.00 1.64 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 2.22 1.86 0.00 663 L 8.36 4.36 0.00 1.66 1.53 0.33 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 664 V 8.46 3.97 2.14 0.00 0.00 0.00 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 0.91 0.00 0.00 *676 R 7.53 4.24 0.00 1.90 1.74 0.00 3.32 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 1.45 1.20 0.00 677 P 0.00 4.41 0.00 1.84 2.14 0.00 3.69 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 2.27 2.10 0.00 678 V 7.77 4.78 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 1.15 0.00 0.00 0.95 0.00 0.00 679 Y 9.48 5.30 0.00 3.19 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 680 L 8.82 5.27 0.00 1.29 1.50 0.92 1.29 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 0.00 681 F 9.09 5.09 0.00 2.18 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 0.00 0.00 0.00 682 H 9.46 5.49 0.00 3.19 3.30 0.00 5.59 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 683 K 9.13 4.99 0.00 1.67 1.72 0.00 0.61 0.00 0.00 1.47 0.00 0.00 2.53 0.00 0.00 2.26 0.00 0.00 0.00 0.00 1.21 1.18 7.81 684 A 8.91 4.38 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 0.00 685 R 8.47 4.14 0.00 1.84 1.70 0.00 3.30 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.18 0.00 * Residues marked with a * may have inaccurate shift predictions.