NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 459 N 4.6940 8.4249 119.2041 53.0155 40.7892 174.3062 460 L 4.2920 7.4288 115.6891 51.1213 44.1582 173.9024 461 P 3.9049 0.0000 0.0000 63.2880 32.3221 176.8152 462 E 4.2524 8.6626 120.8218 57.7766 29.6077 176.8509 463 H 4.8433 8.0274 113.5291 54.9469 29.1640 174.9002 464 W 4.6429 7.6355 120.4114 56.1074 29.8184 176.4751 465 T 4.0785 8.8288 112.6543 61.1932 68.8950 174.1692 466 D 4.5359 8.5776 123.0037 55.8145 41.2880 176.4919 467 M 4.7224 8.1829 119.9248 55.7213 33.5275 174.4810 468 N 4.4387 7.9362 115.3405 54.5209 38.1599 174.9988 469 H 4.3288 9.0109 120.3028 56.0691 27.6434 175.2790 470 Q 4.2972 8.7218 119.6007 55.4673 29.3602 175.8074 471 L 4.2606 8.3184 120.8052 55.2205 42.7682 175.8576 472 F 5.6504 7.6784 118.2383 58.5502 42.1914 172.5125 473 C 3.9048 6.7408 115.7874 57.5051 32.2362 172.1517 474 M 4.5156 8.1167 120.8054 53.9940 33.2524 175.5026 475 V 4.1202 8.3283 124.8486 60.8976 33.5036 174.4526 476 Q 4.5807 8.6076 130.2639 56.0822 29.4937 175.2519 477 L 4.6283 8.8984 127.0220 53.6908 43.6776 175.7498 478 E 4.2751 8.4911 122.3306 53.7910 30.5599 174.0919 479 P 3.1214 0.0000 0.0000 63.4917 31.7956 176.5526 480 G 3.9934 8.8287 108.2455 45.9714 0.0000 174.5639 481 Q 4.3542 7.4319 119.3476 54.7917 30.9952 176.3363 482 S 4.2279 8.7379 118.4903 61.7636 61.8269 176.1903 483 E 3.8953 8.2644 121.0462 59.5880 29.3253 178.0147 484 Y 3.8474 7.9490 118.6218 60.8200 39.0062 177.4680 485 N 4.4808 9.2172 118.5656 56.6954 38.6176 177.5338 486 T 3.8767 8.4834 117.3304 66.8264 68.6968 176.7889 487 I 3.6357 7.2534 120.8503 64.1533 36.9695 178.4585 488 K 3.8876 7.9762 120.6829 59.4965 32.0647 178.7141 489 D 4.4532 8.5322 119.7776 57.2912 40.5263 178.8914 490 K 4.1742 8.1856 118.3037 59.0275 32.2939 179.1426 491 F 4.0769 8.2774 121.2133 61.4633 39.1086 177.5444 492 T 3.7781 8.5586 109.3957 64.0740 68.2607 175.9087 493 R 3.7179 7.6131 121.2002 59.0291 30.0299 176.5820 494 T 4.5996 7.2509 103.8592 60.8780 70.4861 173.4783 495 C 4.7930 7.3806 121.1629 59.2718 28.7863 175.8820 496 S 4.3142 8.1677 114.9407 60.3796 62.9163 174.9640 497 S 4.3229 7.8505 114.4445 59.3643 63.5539 173.6751 498 Y 4.7279 7.7663 118.6222 56.8054 39.4830 174.2864 499 A 4.9297 8.9382 123.8219 50.2928 21.7225 175.8438 500 I 4.1606 8.4360 123.9148 61.0345 37.3582 175.6363 501 E 4.2609 9.2224 129.9075 58.4908 29.7468 176.6505 502 K 4.7974 7.7220 116.5022 55.8738 36.3861 173.7483 503 I 4.9826 8.4815 121.2181 59.6289 40.5060 174.1292 504 E 5.1608 8.8160 126.5879 54.3198 32.4204 175.4375 505 R 4.4456 9.2456 125.7000 56.2901 31.5621 175.0731 506 I 4.1573 8.3804 127.8589 60.3327 38.3294 176.1456 507 Q 2.7224 8.0816 128.0796 53.2463 28.6834 172.3331 508 N 5.2712 9.3135 120.5465 51.7637 40.4221 174.6076 509 A 4.3803 9.1583 129.7957 55.5767 18.5759 179.2092 510 F 4.5940 8.2761 115.5642 60.9814 39.1325 177.7735 511 L 4.2682 8.7525 118.6908 57.6761 41.3630 179.5129 512 W 3.9456 8.7750 128.2930 60.4432 30.6943 177.9904 513 Q 3.9307 8.3452 117.9561 59.1342 28.1667 179.0608 514 S 4.0822 8.1535 115.8692 61.8271 62.8961 175.9801 515 Y 4.3031 8.0975 123.5365 60.3759 38.3907 178.4630 516 Q 3.4833 7.9396 118.8643 58.5524 28.7343 178.8090 517 V 3.4317 7.6555 119.4209 65.8440 31.3728 178.0900 518 K 3.8543 7.9837 119.4365 58.9759 31.9237 178.7316 519 K 3.6623 7.6224 120.3174 58.8967 31.9567 178.6691 520 R 3.7560 8.0212 119.4595 59.6675 29.9561 178.6113 521 Q 3.9454 7.8837 117.5172 58.7895 28.5819 177.9601 522 M 4.1118 7.5712 118.7470 57.7567 32.0945 177.9215 523 D 4.3516 7.7974 118.7127 57.1052 41.0258 178.3658 524 I 3.8631 7.2917 119.5552 64.1715 37.2677 178.0535 525 K 4.0519 7.8552 119.4028 56.8359 32.3229 177.3655 526 N 4.4514 8.1043 112.1222 53.6721 37.4890 176.9836 *530 N 4.5411 8.9915 120.2717 54.2901 39.9434 173.6428 531 N 4.9002 7.7140 114.1741 53.0130 41.1383 175.6014 532 E 5.1044 8.1015 120.1169 54.3234 31.8386 175.0600 533 R 4.5772 8.9098 125.2736 54.2255 34.1883 174.6486 534 L 4.8104 8.4301 124.7832 54.0055 42.6824 175.0018 535 L 4.7668 8.8303 126.2572 52.8122 46.1816 175.2936 536 F 5.6246 9.0735 118.3420 56.4278 41.9296 175.1865 537 H 5.0552 9.7278 121.8974 54.7224 32.7409 172.0468 538 G 4.5995 8.7804 113.7786 45.5869 0.0000 171.7984 539 T 5.2834 9.0397 118.3994 58.7134 71.6354 172.7330 540 D 4.7874 8.6701 123.3821 52.4978 40.6544 177.2047 541 A 3.8670 8.5041 121.1242 55.3574 18.0391 179.6111 542 D 4.4118 7.5007 113.2749 56.9302 41.1974 178.2543 543 S 4.5170 8.7219 115.2152 59.4484 63.1070 176.3514 544 V 4.2685 7.4808 122.8255 65.0932 31.1576 175.8397 545 P 4.2468 0.0000 0.0000 65.9125 31.2327 177.9179 546 Y 3.9627 7.9913 117.5577 60.7870 38.8434 178.1322 547 V 4.0622 7.9276 120.3420 65.0761 31.2242 177.8200 548 N 4.2846 7.9407 115.9269 56.3718 38.5081 177.0567 549 Q 3.4140 7.0436 117.9107 58.2092 28.9681 176.8263 550 H 4.5287 7.8863 113.7119 54.5163 31.3170 176.0314 551 G 3.4692 7.4952 107.4322 44.8845 0.0000 171.7167 552 F 4.9382 8.6024 119.3346 55.8767 40.2143 174.4736 553 N 5.1103 8.7470 123.7124 51.6302 40.4806 175.3249 554 R 4.1650 8.6079 121.7166 58.6001 30.2101 178.6842 555 S 4.2295 9.0205 114.7073 60.7084 62.8881 174.5514 556 C 4.5293 7.4842 114.6149 58.9864 28.9052 174.0552 557 A 4.1233 7.3838 123.2536 52.2436 18.4831 177.5905 558 G 3.8923 8.3982 110.7604 44.0477 0.0000 173.6761 559 K 3.8197 8.4594 123.5229 56.3391 32.5886 176.2045 560 N 4.4998 8.1890 124.3125 52.5969 39.8907 174.3354 561 A 4.0839 7.9416 123.9985 54.8006 18.5049 178.6012 562 V 4.1941 7.6978 108.1289 59.5133 33.5170 175.0215 563 S 4.6792 8.3696 119.9154 57.2482 63.0742 173.0660 564 Y 4.6758 10.6661 125.2765 55.9995 38.1875 175.1446 565 G 4.6720 6.7414 105.5435 43.8163 0.0000 174.8144 566 K 4.5338 9.2190 123.2634 54.5476 30.8492 176.6057 567 G 3.7109 7.6977 110.5378 44.6112 0.0000 169.2214 568 T 4.4114 8.0117 109.6730 61.0958 70.3802 173.7815 569 Y 4.8570 8.3840 122.1580 56.7866 40.1038 175.0201 570 F 5.1058 8.9836 119.9118 55.9795 43.7432 173.5931 571 A 4.9081 9.3412 125.0033 50.7276 20.7563 178.3293 572 V 3.6578 8.6813 121.7748 65.8062 32.0257 176.3985 573 D 4.9794 8.0882 119.6415 52.7977 42.5787 177.4705 574 A 3.0857 8.1979 124.7987 54.5746 17.9462 180.0447 575 S 3.9551 7.6889 112.4670 61.8379 62.9101 176.1515 576 Y 4.0910 7.7584 122.5422 60.7585 38.6700 178.0648 577 S 4.3071 8.2389 114.7323 60.7163 62.8274 175.4400 578 A 4.5872 7.4767 123.0877 51.3647 18.8849 177.7217 579 K 4.1385 7.5988 118.7730 55.9361 32.8885 177.8898 580 D 4.5409 8.9423 123.3488 57.7092 40.9343 179.1367 581 T 3.6887 7.6679 107.7442 63.8147 68.4199 173.3649 582 Y 4.5845 7.7031 119.0410 59.3737 40.3486 176.1008 583 S 5.1500 7.9946 113.4939 55.9163 62.1971 174.0404 584 K 4.3456 7.6677 121.4888 55.9703 32.8267 174.3435 585 P 4.4706 0.0000 0.0000 62.4614 31.9681 176.4376 586 D 4.7104 8.6487 123.4199 52.4286 40.7866 176.9797 587 S 4.1363 8.5297 112.6650 61.1432 62.9105 174.6196 588 N 4.5131 8.6580 117.1606 53.2754 38.6384 175.9229 589 G 3.9270 8.2373 107.1577 44.8842 0.0000 173.8920 590 R 4.1886 7.7887 119.0206 55.7648 31.5289 175.6638 591 K 4.6387 8.3830 122.1244 54.7351 35.8559 174.8218 592 H 5.5741 8.4188 118.5695 54.3416 32.7894 172.3813 593 M 5.4484 9.0603 119.1097 54.2200 35.1310 173.5508 594 Y 5.1636 10.1198 120.0009 57.1030 40.7289 174.6214 595 V 4.6864 9.0237 123.3592 61.7318 33.4110 174.7581 596 V 4.8636 8.9586 128.1196 61.1177 34.8960 174.7397 597 R 4.7182 8.7932 126.9966 55.5902 30.8650 175.2552 598 V 4.4099 8.7925 125.4972 60.9024 33.7398 175.3593 599 L 4.5564 9.3343 130.4192 54.6112 39.2218 176.5847 600 T 3.9577 7.6355 113.2656 60.7093 69.8298 177.5382 601 G 3.9870 8.0284 110.5936 45.8126 0.0000 174.7828 602 V 4.1743 9.2094 125.1427 61.3966 32.6080 174.1042 603 F 5.9440 7.7535 121.4075 54.3641 41.4743 173.2568 604 T 4.5081 7.8497 112.5356 59.5526 71.3887 172.4393 605 K 4.2601 8.5641 125.9168 56.8548 32.8035 176.9082 606 G 4.2903 8.7229 115.1881 45.5553 0.0000 172.7142 607 R 4.6867 8.4636 112.1489 54.8206 31.6182 174.1974 608 A 3.9696 8.4928 123.1672 53.9390 18.7534 178.3237 609 G 4.0032 8.8645 107.5914 45.2468 0.0000 174.0484 610 L 4.1096 7.6346 120.6732 54.8450 41.9491 177.9648 611 V 3.7983 8.2736 115.7609 61.4992 33.4352 175.1947 612 T 4.2248 7.0033 107.6800 58.5963 71.9034 171.4184 613 P 4.2113 0.0000 0.0000 61.8245 32.0906 175.1064 614 P 4.5918 0.0000 0.0000 61.7911 32.8769 173.9641 615 P 4.6521 0.0000 0.0000 62.2765 31.4278 177.1202 616 K 3.1982 8.6324 123.8037 58.5333 32.4129 177.2104 617 N 4.9063 7.6464 116.4963 50.8200 41.4753 172.7123 618 P 4.1906 0.0000 0.0000 65.7253 31.4573 176.6823 619 H 4.7266 8.5623 112.7772 55.9048 29.8530 174.9217 620 N 4.9592 7.7931 118.5799 50.9476 38.1601 172.8446 621 P 4.4646 0.0000 0.0000 64.0504 32.0526 177.5000 622 T 4.1531 7.3689 106.8275 62.4554 69.7028 174.7416 623 D 4.4345 7.9780 122.4006 53.2874 39.7867 175.2403 624 L 4.8446 7.7833 125.3251 52.8752 43.5528 176.7245 625 F 4.4715 8.4366 119.2634 57.9007 39.0495 175.7748 626 D 4.8584 9.2646 121.4228 57.0983 41.2388 176.1983 627 S 4.9405 8.0106 111.2394 57.9348 66.5513 173.6397 628 V 4.8141 8.6175 111.8579 60.1911 35.8573 174.8477 629 T 4.8720 8.8427 116.6327 59.0937 70.8427 173.8942 630 N 3.1400 7.9497 119.6403 54.4346 38.3053 175.2987 631 N 4.4275 7.3155 117.5058 52.6047 40.6806 174.5077 632 T 4.0907 8.5998 117.5459 64.7896 69.0709 175.7432 633 R 4.0761 8.0233 121.1447 58.6752 30.5377 176.4743 634 S 4.5756 8.1075 111.3149 55.8589 62.5928 169.9890 635 P 4.2805 0.0000 0.0000 61.3821 31.8646 176.4264 636 K 4.5755 8.9213 122.3949 56.7223 34.7442 175.7506 637 L 4.9873 7.2171 120.0843 54.4150 43.9248 174.5862 638 F 4.9550 9.3389 119.0741 55.6584 43.2097 174.1262 639 V 4.4857 8.6043 120.8849 61.0761 34.3361 174.6278 640 V 4.6166 8.3640 120.5966 59.5426 34.5788 176.2588 641 F 4.5504 9.0886 121.1253 57.0709 39.8047 175.2335 642 F 5.1097 7.5692 116.4915 55.4212 42.4768 175.8841 643 D 4.6851 9.2181 122.7727 57.0505 40.4954 177.3476 644 N 5.2516 8.1837 116.0152 53.2249 39.5168 175.6932 645 Q 4.4198 8.0570 115.7251 56.4086 29.5489 175.6741 646 A 5.0045 8.0014 120.3492 50.1885 22.1168 174.2766 647 Y 4.6194 8.0570 123.4891 54.9615 41.2960 172.9718 648 P 4.7121 0.0000 0.0000 62.8546 31.1331 175.3675 649 E 4.2902 9.4229 127.5795 57.4500 31.4221 175.4366 650 Y 5.3680 7.8747 115.0255 56.0124 43.0548 174.1433 651 L 4.6544 9.0972 124.8716 53.4314 44.6694 175.1954 652 I 4.4698 9.0174 128.7752 60.4644 38.6953 174.9215 653 T 5.0610 8.5201 125.2495 62.0922 70.2819 174.2817 654 F 5.5565 8.4977 120.5237 55.9860 42.2706 172.7846 655 T 4.9343 9.3332 108.9663 59.6545 72.9667 174.1400 656 A 4.3076 8.5921 123.1259 52.5876 18.5731 177.4253 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 459 N 8.42 4.69 0.00 2.70 2.93 0.00 0.00 6.89 6.89 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 0.00 460 L 7.43 4.29 0.00 1.61 1.04 1.08 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 461 P 0.00 3.90 0.00 0.73 1.43 0.00 2.20 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.60 0.00 462 E 8.66 4.25 0.00 1.93 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 2.29 2.31 0.00 463 H 8.03 4.84 0.00 3.32 3.39 0.00 5.52 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 0.00 464 W 7.64 4.64 0.00 3.27 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 0.00 465 T 8.83 4.08 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 466 D 8.58 4.54 0.00 2.69 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 0.00 467 M 8.18 4.72 0.00 2.13 2.00 0.00 0.00 0.00 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.36 0.00 468 N 7.94 4.44 0.00 2.76 2.94 0.00 0.00 7.21 8.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 469 H 9.01 4.33 0.00 3.28 3.55 0.00 5.89 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 470 Q 8.72 4.30 0.00 1.92 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.91 0.00 0.00 0.00 0.00 0.00 2.57 2.42 0.00 471 L 8.32 4.26 0.00 1.36 1.24 0.60 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 472 F 7.68 5.65 0.00 2.85 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 0.00 473 C 6.74 3.90 0.00 2.67 2.64 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 0.00 0.00 0.00 0.00 474 M 8.12 4.52 0.00 1.82 1.91 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.25 0.00 475 V 8.33 4.12 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 0.73 0.00 0.00 0.72 0.00 0.00 476 Q 8.61 4.58 0.00 2.09 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.66 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 477 L 8.90 4.63 0.00 1.86 1.75 1.01 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 478 E 8.49 4.28 0.00 2.00 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 2.25 2.28 0.00 479 P 0.00 3.12 0.00 1.70 1.32 0.00 3.44 0.00 0.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.77 0.00 480 G 8.83 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 481 Q 7.43 4.35 0.00 2.25 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.66 0.00 0.00 0.00 0.00 0.00 2.44 2.52 0.00 482 S 8.74 4.23 0.00 3.91 3.92 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 0.00 483 E 8.26 3.90 0.00 2.16 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 2.43 2.53 0.00 484 Y 7.95 3.85 0.00 3.14 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 0.00 485 N 9.22 4.48 0.00 2.90 2.92 0.00 0.00 7.11 6.93 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 0.00 486 T 8.48 3.88 4.31 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 1.22 0.00 0.00 487 I 7.25 3.64 1.58 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.30 0.70 0.00 0.00 488 K 7.98 3.89 0.00 1.50 1.95 0.00 1.87 0.00 0.00 1.79 0.00 0.00 3.03 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.49 1.51 7.81 489 D 8.53 4.45 0.00 3.01 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 0.00 490 K 8.19 4.17 0.00 1.90 2.08 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.54 1.72 7.81 491 F 8.28 4.08 0.00 3.17 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 0.00 492 T 8.56 3.78 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 1.47 0.00 0.00 493 R 7.61 3.72 0.00 2.13 2.15 0.00 3.23 0.00 0.00 3.31 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 494 T 7.25 4.60 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 495 C 7.38 4.79 0.00 1.60 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 0.00 0.00 0.00 0.00 496 S 8.17 4.31 0.00 3.97 4.11 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 0.00 0.00 0.00 497 S 7.85 4.32 0.00 3.85 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 498 Y 7.77 4.73 0.00 3.40 3.34 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 0.00 499 A 8.94 4.93 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 0.00 500 I 8.44 4.16 1.86 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 0.54 0.34 0.80 0.00 0.00 501 E 9.22 4.26 0.00 1.99 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 0.00 2.33 2.27 0.00 502 K 7.72 4.80 0.00 1.87 1.87 0.00 1.50 0.00 0.00 1.82 0.00 0.00 2.81 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.47 7.81 503 I 8.48 4.98 1.70 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.38 0.70 0.00 0.00 504 E 8.82 5.16 0.00 1.91 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 2.21 2.22 0.00 505 R 9.25 4.45 0.00 1.97 1.65 0.00 2.69 0.00 0.00 2.84 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.29 0.00 506 I 8.38 4.16 1.86 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.69 0.89 0.00 0.00 507 Q 8.08 2.72 0.00 1.44 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.76 0.00 0.00 0.00 0.00 0.00 1.16 1.33 0.00 508 N 9.31 5.27 0.00 3.01 3.12 0.00 0.00 7.02 8.75 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 0.00 509 A 9.16 4.38 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 510 F 8.28 4.59 0.00 3.10 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 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 572 V 8.68 3.66 2.18 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 0.83 0.00 0.00 1.00 0.00 0.00 573 D 8.09 4.98 0.00 2.82 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 574 A 8.20 3.09 -0.03 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 0.00 0.00 575 S 7.69 3.96 0.00 4.03 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 0.00 576 Y 7.76 4.09 0.00 3.14 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 0.00 577 S 8.24 4.31 0.00 3.97 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 578 A 7.48 4.59 1.19 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 0.00 0.00 579 K 7.60 4.14 0.00 1.75 1.61 0.00 1.33 0.00 0.00 1.49 0.00 0.00 2.67 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.40 1.59 7.81 580 D 8.94 4.54 0.00 2.73 2.69 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 0.00 581 T 7.67 3.69 3.68 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 0.99 0.00 0.00 582 Y 7.70 4.58 0.00 3.27 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 0.00 583 S 7.99 5.15 0.00 4.15 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 0.00 584 K 7.67 4.35 0.00 1.80 1.79 0.00 1.58 0.00 0.00 2.10 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.41 7.81 585 P 0.00 4.47 0.00 2.04 1.91 0.00 3.69 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.01 0.00 586 D 8.65 4.71 0.00 2.90 2.86 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 0.00 587 S 8.53 4.14 0.00 3.99 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 0.00 588 N 8.66 4.51 0.00 2.82 2.88 0.00 0.00 7.19 7.29 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 0.00 589 G 8.24 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 0.00 0.00 0.00 590 R 7.79 4.19 0.00 2.08 1.60 0.00 3.07 0.00 0.00 3.29 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 591 K 8.38 4.64 0.00 0.79 1.03 0.00 1.51 0.00 0.00 1.16 0.00 0.00 2.70 0.00 0.00 2.59 0.00 0.00 0.00 0.00 1.23 1.01 7.81 592 H 8.42 5.57 0.00 3.26 3.06 0.00 5.78 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 593 M 9.06 5.45 0.00 2.32 2.34 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.62 0.00 594 Y 10.12 5.16 0.00 3.22 3.20 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 0.00 595 V 9.02 4.69 2.47 0.00 0.00 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 1.17 0.00 0.00 596 V 8.96 4.86 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 1.25 0.00 0.00 597 R 8.79 4.72 0.00 1.79 1.98 0.00 3.54 0.00 0.00 3.34 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.64 0.00 598 V 8.79 4.41 1.67 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 0.59 0.00 0.00 -0.24 0.00 0.00 599 L 9.33 4.56 0.00 1.60 1.57 0.50 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 600 T 7.64 3.96 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 0.45 0.00 0.00 601 G 8.03 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 602 V 9.21 4.17 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.90 0.00 0.00 603 F 7.75 5.94 0.00 3.09 3.14 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 0.00 0.00 0.00 0.00 604 T 7.85 4.51 2.69 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 0.58 0.00 0.00 605 K 8.56 4.26 0.00 1.74 1.66 0.00 1.80 0.00 0.00 1.73 0.00 0.00 2.95 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.44 1.53 7.81 606 G 8.72 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 0.00 0.00 0.00 0.00 607 R 8.46 4.69 0.00 2.00 2.07 0.00 3.02 0.00 0.00 3.38 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 608 A 8.49 3.97 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 0.00 609 G 8.86 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.63 4.11 0.00 1.89 1.49 1.03 0.79 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 0.00 611 V 8.27 3.80 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 0.79 0.00 0.00 0.90 0.00 0.00 612 T 7.00 4.22 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 1.16 0.00 0.00 613 P 0.00 4.21 0.00 2.18 2.21 0.00 3.85 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.42 0.00 614 P 0.00 4.59 0.00 2.30 2.04 0.00 3.78 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 2.17 2.13 0.00 615 P 0.00 4.65 0.00 1.94 1.94 0.00 3.73 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.23 0.00 616 K 8.63 3.20 0.00 1.39 1.51 0.00 1.39 0.00 0.00 1.33 0.00 0.00 2.67 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.30 0.81 7.81 617 N 7.65 4.91 0.00 2.60 2.56 0.00 0.00 7.20 7.71 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 0.00 618 P 0.00 4.19 0.00 1.71 2.01 0.00 3.66 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 2.10 0.00 619 H 8.56 4.73 0.00 3.12 3.31 0.00 5.59 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 0.00 620 N 7.79 4.96 0.00 2.67 2.62 0.00 0.00 7.09 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 0.00 621 P 0.00 4.46 0.00 2.07 2.08 0.00 3.71 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.24 0.00 622 T 7.37 4.15 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 1.20 0.00 0.00 623 D 7.98 4.43 0.00 2.75 2.52 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 0.00 624 L 7.78 4.84 0.00 1.70 1.65 1.05 1.04 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 0.00 625 F 8.44 4.47 0.00 3.03 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 626 D 9.26 4.86 0.00 2.99 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 0.00 627 S 8.01 4.94 0.00 4.21 4.11 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 0.00 0.00 0.00 628 V 8.62 4.81 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 0.80 0.00 0.00 1.25 0.00 0.00 629 T 8.84 4.87 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 1.02 0.00 0.00 630 N 7.95 3.14 0.00 2.27 2.29 0.00 0.00 5.70 8.04 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 0.00 631 N 7.32 4.43 0.00 2.58 2.72 0.00 0.00 6.98 7.22 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 0.00 632 T 8.60 4.09 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 1.29 0.00 0.00 633 R 8.02 4.08 0.00 1.80 2.16 0.00 3.21 0.00 0.00 3.16 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 634 S 8.11 4.58 0.00 3.80 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 635 P 0.00 4.28 0.00 1.85 1.13 0.00 3.74 0.00 0.00 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.16 0.00 636 K 8.92 4.58 0.00 1.67 1.92 0.00 1.17 0.00 0.00 1.68 0.00 0.00 2.88 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.25 1.11 7.81 637 L 7.22 4.99 0.00 1.70 1.35 0.85 0.73 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 0.00 638 F 9.34 4.95 0.00 2.84 2.83 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 0.00 0.00 0.00 639 V 8.60 4.49 1.70 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 -0.04 0.00 0.00 -0.06 0.00 0.00 640 V 8.36 4.62 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 0.71 0.00 0.00 1.10 0.00 0.00 641 F 9.09 4.55 0.00 2.61 2.86 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 0.00 642 F 7.57 5.11 0.00 3.41 2.95 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 0.00 643 D 9.22 4.69 0.00 2.82 2.86 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 0.00 644 N 8.18 5.25 0.00 2.87 2.91 0.00 0.00 7.12 7.58 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 0.00 645 Q 8.06 4.42 0.00 2.51 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.77 0.00 0.00 0.00 0.00 0.00 2.40 2.39 0.00 646 A 8.00 5.00 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 647 Y 8.06 4.62 0.00 2.41 2.27 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 0.00 648 P 0.00 4.71 0.00 1.64 1.50 0.00 2.85 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.51 0.00 649 E 9.42 4.29 0.00 2.17 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 1.69 2.50 0.00 650 Y 7.87 5.37 0.00 2.97 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 0.00 651 L 9.10 4.65 0.00 1.56 1.46 0.22 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 652 I 9.02 4.47 1.86 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.63 0.33 0.00 0.00 653 T 8.52 5.06 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 1.08 0.00 0.00 654 F 8.50 5.56 0.00 3.29 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 0.00 655 T 9.33 4.93 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 656 A 8.59 4.31 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 * Residues marked with a * may have inaccurate shift predictions.