NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 486 F 5.0277 8.3093 122.8188 58.3429 41.1058 176.1830 487 T 4.0373 7.3828 108.6099 60.1282 69.3513 172.8103 488 D 4.3526 8.8515 122.9909 54.8443 43.0969 175.9125 489 P 4.8394 0.0000 0.0000 65.9078 31.3835 177.8576 490 R 4.3663 7.9263 110.8182 56.6186 29.5390 176.6976 491 K 4.6440 8.9028 117.7136 55.9667 33.6794 175.2179 492 S 5.1219 7.9019 112.4146 56.6782 66.7914 172.7061 493 E 5.2023 9.6609 119.6409 54.5529 34.0572 174.6039 494 L 4.4479 8.3440 124.2452 53.5165 44.2429 174.7381 495 Y 4.6195 9.0352 125.1609 56.8815 40.2266 175.2245 496 V 4.5334 8.8029 123.9979 61.0742 33.6862 174.4925 497 V 4.3331 8.4548 129.2554 62.2439 32.3944 175.0269 498 E 5.0824 8.9021 130.3835 55.1171 29.0015 176.4205 499 G 4.1756 8.1944 118.0961 47.3148 0.0000 171.4559 500 D 4.6356 8.9433 120.2621 54.7500 40.5369 174.5079 *513 M 4.1583 7.7018 116.6176 55.9419 33.0507 173.8001 514 F 4.4895 8.2676 129.2353 57.3781 40.7444 174.1708 515 Q 4.7100 8.1919 125.0439 53.9956 30.9094 175.1410 516 A 4.3757 8.6990 126.6441 50.8197 21.1539 175.8335 517 I 5.0360 8.0568 119.3716 59.5787 40.9793 175.0619 518 L 4.9453 8.8562 125.4497 52.4894 46.0304 174.1115 519 P 5.2567 0.0000 0.0000 61.7732 34.0964 174.8463 520 L 4.6255 8.3841 122.0198 54.3232 45.1115 174.6311 521 R 4.9467 9.0300 126.0851 54.0354 32.5308 176.3271 522 G 3.7740 7.8761 109.5283 46.6322 0.0000 172.5964 523 K 4.2265 8.2953 132.7565 55.5335 36.3068 177.8866 *533 D 4.5492 8.5074 119.9281 55.7252 42.0806 175.4952 534 R 4.6868 7.7047 113.3569 56.1639 31.0127 179.4392 535 V 3.7673 7.8120 114.4330 64.1730 31.6445 178.0727 536 L 4.0336 8.0391 118.2560 56.4975 41.4090 177.5007 537 K 5.0697 7.6542 116.3126 55.3755 33.0640 176.4737 538 N 4.5113 8.7738 120.6700 53.2565 40.0456 175.2363 539 T 3.8685 8.6984 118.8138 65.3773 68.6316 176.1885 540 E 4.0013 8.7929 121.5111 58.9879 29.4571 179.5403 541 V 3.6007 7.9083 117.9284 66.1317 31.8229 177.9602 542 Q 4.1354 8.3379 117.6690 58.7959 28.4865 178.8400 543 A 4.0023 8.0254 121.8966 55.2365 18.2590 179.7912 544 I 3.7157 7.7762 118.4037 64.5800 36.9321 178.8414 545 I 3.8074 8.1439 120.0880 64.4759 37.1257 178.4338 546 T 3.9989 8.6395 116.9645 66.7431 68.1771 176.5516 547 A 4.1210 8.3351 121.3820 55.3256 18.5772 179.2832 548 L 4.3898 8.0528 117.0962 55.4872 41.5075 178.6740 549 G 3.8553 8.0546 105.7461 46.2554 0.0000 174.2820 550 T 3.8598 7.6183 109.1529 61.2485 69.4646 175.6339 551 G 3.9287 8.2420 109.6875 44.9869 0.0000 171.6681 552 I 4.9940 7.3635 116.5159 59.7231 42.4529 178.5641 553 H 4.0635 8.7508 125.2524 57.5444 30.3076 178.0066 554 D 4.4597 9.1240 116.2028 56.7863 40.7055 176.3707 555 E 4.3578 8.0890 116.6965 55.9918 29.6104 176.2605 556 F 4.0905 7.8038 122.4019 58.3758 39.8228 174.0942 557 D 4.4880 8.2240 127.1075 51.9361 42.2208 175.6078 558 I 3.5653 8.2998 128.0512 63.3302 38.3423 178.2196 559 G 3.5575 8.6588 109.3471 48.3678 0.0000 174.3423 560 K 4.3388 7.7988 117.6344 55.7898 32.0585 176.4506 561 L 4.1630 7.3901 122.0607 55.3094 42.4558 176.8299 562 R 4.2241 8.6713 124.6628 56.2089 30.8244 174.8577 563 Y 5.0518 7.5453 114.1854 56.8287 41.0722 174.3533 564 H 4.4715 9.0715 125.6508 58.7723 30.5903 175.5127 565 K 4.8604 8.1348 116.4203 54.5204 35.8389 175.5013 566 I 4.7202 9.0415 124.7648 59.6583 39.8646 174.1865 567 V 4.4894 7.9576 128.1046 61.2074 33.1498 174.4048 568 L 4.9405 8.8654 128.6850 53.5055 43.8091 175.1348 569 M 5.0246 9.3042 123.6730 53.9361 34.8850 174.2264 570 A 4.6631 8.3391 126.5235 51.4327 22.8126 174.0280 571 D 4.5999 8.5928 117.6225 53.5698 41.7349 176.5272 572 A 4.6012 8.6040 126.7031 51.9549 18.8604 176.9264 573 D 4.7968 7.9690 116.8052 53.7366 40.8314 175.4796 574 V 4.1961 7.3056 119.0664 61.1967 34.9893 178.6998 575 D 3.8460 8.6569 120.0435 53.8779 41.1555 175.0187 576 G 5.0327 5.7692 120.3856 46.7791 0.0000 172.7337 577 Q 3.4790 7.8332 115.9912 56.3570 26.6649 175.6818 578 H 3.8348 8.4075 116.4802 58.4074 29.2522 176.9481 579 I 4.2564 7.6974 111.4226 61.9437 38.5909 177.3693 580 S 5.1554 8.6196 116.8045 59.7238 62.3129 175.2998 581 T 4.3092 7.7550 117.0392 64.8322 69.0288 176.4996 582 L 3.7325 7.3825 121.3192 57.6810 42.1016 178.6307 583 L 3.8582 8.2704 120.5721 58.0647 42.0196 178.5414 584 L 3.9467 7.4185 117.9475 58.1802 41.6215 179.6602 585 T 3.7771 7.5693 108.8472 64.7994 68.2931 175.8822 586 L 3.8408 7.3535 120.8588 57.5809 41.9466 179.2366 587 L 4.1683 8.1279 118.5532 58.0005 41.4170 179.3352 588 F 4.1737 8.3221 119.5840 60.1149 39.5913 175.7589 589 R 4.3594 7.4690 114.1895 54.9599 29.7078 175.4833 590 F 5.1503 7.8063 117.0386 60.1391 45.4919 176.0469 591 M 4.0293 8.3156 121.8291 52.2994 33.6202 176.7711 592 R 3.7060 8.1578 121.1240 59.4818 30.0041 175.2010 593 P 4.1535 0.0000 0.0000 65.1488 31.2258 178.4277 594 L 4.2669 7.9396 118.7036 57.5206 41.4939 179.4706 595 I 3.7546 7.9075 120.1278 64.2968 37.0048 178.0607 596 E 3.9258 8.0824 117.3930 59.7498 29.3632 177.8185 597 N 4.5533 8.2093 112.9005 52.8317 38.6165 175.2605 598 G 3.7949 7.6124 105.6010 47.1953 0.0000 174.3323 599 H 4.9284 8.1799 116.4426 56.9576 31.4876 177.5682 600 V 4.4448 7.7003 117.4698 63.2395 33.0087 174.9435 601 F 5.0016 8.9339 122.7660 56.5028 44.3935 172.9203 602 L 5.2428 8.8091 119.5356 53.0069 44.8907 175.5253 603 A 4.8808 8.6548 125.3787 50.2761 20.8483 175.8346 604 Q 4.4029 8.3349 124.7563 53.9674 29.7354 174.0305 605 P 4.6253 0.0000 0.0000 61.4914 32.2637 174.5593 606 P 3.9029 0.0000 0.0000 62.7155 31.7852 176.6385 607 L 4.5371 8.4663 120.4494 55.5820 43.5694 175.8770 608 Y 5.2931 7.7282 115.2002 56.1741 43.1439 174.0235 609 K 4.3095 8.5111 122.4241 54.6049 35.4020 175.2495 610 L 3.8195 8.8789 129.5877 53.1089 42.1775 177.1697 611 K 4.4540 8.0047 128.3490 54.0139 29.5897 177.2580 612 W 4.2055 7.5925 120.2932 56.9379 30.1320 176.5142 613 Q 4.2192 9.4616 124.4782 59.3792 28.5449 178.0670 614 R 4.8066 7.7000 115.6683 55.3413 31.4129 174.6660 615 S 4.7696 8.0547 111.6235 56.3265 67.0179 173.9765 616 D 4.4960 8.7800 122.7309 54.1425 41.0495 175.0179 617 P 4.7789 0.0000 0.0000 63.5310 32.0437 174.9819 618 E 5.0253 8.7759 118.6334 54.6677 33.7643 174.9118 619 F 5.3495 9.1341 119.4205 55.6815 42.1758 174.5562 620 A 4.9430 8.6997 123.2256 50.6001 21.8587 176.3931 621 Y 4.5832 8.8608 117.7277 57.9647 39.2409 176.5859 622 S 4.7626 7.6708 114.4396 55.7099 67.4534 174.2579 623 D 4.7064 8.9223 123.6934 57.8904 40.7459 179.0718 624 R 3.9141 8.1384 118.3790 59.7517 30.0696 177.9361 625 E 4.0690 8.2201 118.3064 59.6161 29.4623 178.0356 626 R 3.9286 8.1558 119.2861 58.9236 30.0377 177.7211 627 D 4.5295 8.4369 118.2453 57.8190 41.0496 179.8031 628 G 3.6460 8.1582 105.7159 47.1347 0.0000 175.7298 629 L 4.1022 8.0608 122.7910 57.7088 42.1361 178.6455 630 L 4.2403 8.4510 120.7938 58.3803 41.6391 178.3541 631 E 3.9709 8.4640 118.9849 59.3743 29.1639 178.8220 632 A 4.0806 8.4273 121.0695 55.0854 18.4972 179.7935 633 G 2.7773 8.6205 104.5114 47.9172 0.0000 175.4259 634 L 4.3739 8.4660 123.6045 56.8813 41.5379 179.5681 635 K 3.9761 8.1573 117.7866 58.4347 32.2231 177.6206 636 A 4.4095 7.5242 120.4593 51.6344 19.1907 177.3108 637 G 3.8325 8.7741 104.8006 45.7626 0.0000 173.2804 638 K 4.5815 8.0068 120.5480 54.3539 34.4204 175.2569 639 K 4.9181 8.6385 125.0428 55.0852 35.1598 174.9984 640 I 4.7011 8.0415 122.0637 59.2903 41.4031 174.0185 641 N 4.2994 8.3138 128.0507 53.6335 39.1313 175.4518 642 K 4.1397 8.6170 125.9636 57.9802 32.7907 176.8177 643 E 4.4333 8.8445 117.6568 58.0197 30.5519 176.5516 644 D 4.8362 7.7322 115.1530 52.8436 40.3513 176.7917 645 G 3.6980 8.0270 111.0965 47.5764 0.0000 173.2610 646 I 4.4602 7.1532 120.0440 59.0752 38.6111 175.1781 647 Q 3.8268 8.4185 129.9090 55.9315 30.0109 175.1357 648 R 4.7809 8.3969 127.9211 54.2939 29.5318 172.7335 649 Y 4.2254 7.8078 118.7610 58.2009 38.8532 176.2520 650 K 4.2647 8.9153 124.8379 56.1353 33.0538 177.6455 651 G 3.8146 9.2374 114.3645 44.4158 0.0000 170.5510 652 L 4.5926 7.6244 117.6197 54.7619 44.0187 177.1494 653 G 4.0120 8.7262 110.1720 47.0764 0.0000 175.4168 654 E 4.1029 9.1368 116.4294 57.0335 28.3658 177.6510 655 M 4.4280 7.2337 117.3763 54.1638 32.3586 175.4154 656 D 4.8900 7.4059 121.4183 52.6122 44.1224 176.1591 657 A 4.2139 8.4023 129.9288 53.8116 18.8886 176.7283 658 K 4.3869 9.3857 123.9016 56.2825 31.2515 176.9457 659 E 4.5072 8.2824 115.7962 55.9330 30.0419 175.8995 660 L 4.3952 7.7179 121.1672 55.3468 44.2147 177.3792 661 W 3.9108 7.7253 128.4611 59.1417 31.3035 177.4445 662 E 4.4519 8.6929 119.9136 59.6238 29.3739 178.7030 663 T 4.0394 7.6443 111.8917 63.3547 67.7545 174.9940 664 T 4.4556 7.3271 108.1593 61.2065 70.3873 174.5471 665 M 3.6181 7.3921 120.2176 55.2396 32.7266 175.4828 666 D 3.9403 6.8671 118.0808 53.0564 40.6769 174.4095 667 P 4.3195 0.0000 0.0000 65.7282 30.5831 177.3748 668 S 4.2749 7.2609 116.0120 60.9284 63.1816 175.6891 669 V 3.8046 7.4940 123.6324 63.6902 32.0091 177.1638 670 R 3.9233 7.9970 117.6812 56.1119 29.9441 176.5750 671 V 4.0309 7.6700 119.3403 61.2986 32.8315 173.6046 672 L 5.1215 8.2056 126.9193 52.9584 44.0488 176.3511 673 R 4.4983 8.7372 122.4528 54.3083 32.8929 174.1788 674 Q 3.3399 8.7360 128.0042 56.1484 29.8793 175.5251 675 V 4.2288 7.3933 125.2643 61.9342 32.4076 175.7910 676 T 4.4311 8.7354 118.2770 60.0059 70.8047 175.6493 677 L 4.0108 8.4022 122.0136 58.0971 41.5199 179.5746 678 D 4.2512 7.9831 118.1569 57.4793 40.7548 177.9749 679 D 4.2939 7.7660 118.5758 57.7899 40.9153 179.3970 680 A 3.8262 8.2543 120.7364 54.6479 18.1874 179.5973 681 A 2.9867 7.6664 119.4960 54.7739 18.3543 179.6259 682 A 3.7710 7.6998 118.9113 55.2561 18.4994 179.3587 683 A 3.8540 7.4708 119.2040 55.6285 18.2777 179.3649 684 D 4.2285 7.6695 116.1337 57.3129 41.1855 178.0933 685 E 3.8566 8.1789 119.9145 59.3521 29.7432 178.4175 686 L 3.7901 8.5148 120.7094 58.1533 41.7684 178.8457 687 F 4.0248 8.1586 119.8490 61.1659 39.4360 177.0092 688 S 4.1988 8.0287 113.7196 61.8981 63.0192 176.6787 689 I 3.8444 8.4168 122.6240 63.9754 36.4346 177.7329 690 L 4.0910 7.2970 117.4039 55.0996 41.3445 176.9085 691 M 4.2023 7.6274 125.1263 55.4963 32.6246 175.4226 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 486 F 8.31 5.03 0.00 2.86 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 0.00 487 T 7.38 4.04 2.98 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 0.31 0.00 0.00 488 D 8.85 4.35 0.00 2.67 2.55 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 0.00 489 P 0.00 4.84 0.00 2.14 1.98 0.00 3.84 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 2.03 1.93 0.00 490 R 7.93 4.37 0.00 1.83 1.96 0.00 2.97 0.00 0.00 3.19 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.55 0.00 491 K 8.90 4.64 0.00 1.84 1.81 0.00 1.61 0.00 0.00 1.73 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.34 1.32 7.81 492 S 7.90 5.12 0.00 4.29 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 0.00 493 E 9.66 5.20 0.00 1.83 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 0.00 2.14 2.21 0.00 494 L 8.34 4.45 0.00 0.27 1.08 0.58 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 495 Y 9.04 4.62 0.00 2.90 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 0.00 496 V 8.80 4.53 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 0.79 0.00 0.00 0.88 0.00 0.00 497 V 8.45 4.33 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 0.88 0.00 0.00 0.94 0.00 0.00 498 E 8.90 5.08 0.00 1.93 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 2.31 2.25 0.00 499 G 8.19 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 0.00 0.00 0.00 500 D 8.94 4.64 0.00 2.83 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *513 M 7.70 4.16 0.00 2.14 2.10 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.62 0.00 514 F 8.27 4.49 0.00 2.28 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 0.00 515 Q 8.19 4.71 0.00 1.82 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.67 0.00 0.00 0.00 0.00 0.00 2.38 2.44 0.00 516 A 8.70 4.38 1.11 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 0.00 0.00 517 I 8.06 5.04 1.84 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.61 0.87 0.00 0.00 518 L 8.86 4.95 0.00 1.54 1.46 0.93 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 519 P 0.00 5.26 0.00 2.07 2.04 0.00 3.76 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 1.92 1.95 0.00 520 L 8.38 4.63 0.00 1.73 1.52 0.93 1.50 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 0.00 521 R 9.03 4.95 0.00 1.73 2.12 0.00 3.41 0.00 0.00 3.24 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.57 0.00 522 G 7.88 3.77 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 0.00 0.00 0.00 523 K 8.30 4.23 0.00 1.74 1.36 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.37 1.39 7.81 *533 D 8.51 4.55 0.00 2.80 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 0.00 534 R 7.70 4.69 0.00 1.93 1.92 0.00 3.22 0.00 0.00 3.36 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 535 V 7.81 3.77 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 0.91 0.00 0.00 0.98 0.00 0.00 536 L 8.04 4.03 0.00 1.62 1.67 0.63 0.67 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 0.00 537 K 7.65 5.07 0.00 1.90 1.83 0.00 1.68 0.00 0.00 1.49 0.00 0.00 2.94 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.31 7.81 538 N 8.77 4.51 0.00 2.74 2.88 0.00 0.00 6.86 6.56 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 0.00 539 T 8.70 3.87 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 540 E 8.79 4.00 0.00 2.15 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 0.00 2.34 2.32 0.00 541 V 7.91 3.60 2.32 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 0.94 0.00 0.00 1.04 0.00 0.00 542 Q 8.34 4.14 0.00 2.29 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 2.39 2.58 0.00 543 A 8.03 4.00 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 0.00 544 I 7.78 3.72 2.00 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 1.51 0.87 0.90 0.00 0.00 545 I 8.14 3.81 1.92 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 1.56 0.66 0.92 0.00 0.00 546 T 8.64 4.00 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 1.23 0.00 0.00 547 A 8.34 4.12 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 548 L 8.05 4.39 0.00 1.91 1.83 1.03 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 549 G 8.05 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 0.00 550 T 7.62 3.86 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 1.11 0.00 0.00 551 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 0.00 552 I 7.36 4.99 1.84 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.62 0.79 0.00 0.00 553 H 8.75 4.06 0.00 3.33 2.36 0.00 5.65 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 554 D 9.12 4.46 0.00 2.66 2.70 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 0.00 555 E 8.09 4.36 0.00 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0.00 0.00 580 S 8.62 5.16 0.00 3.98 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 0.00 581 T 7.75 4.31 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 1.34 0.00 0.00 582 L 7.38 3.73 0.00 1.96 1.75 0.90 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 583 L 8.27 3.86 0.00 1.78 1.66 0.92 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 584 L 7.42 3.95 0.00 1.79 1.64 0.85 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 585 T 7.57 3.78 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 1.25 0.00 0.00 586 L 7.35 3.84 0.00 1.90 1.85 0.92 1.12 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 0.00 587 L 8.13 4.17 0.00 1.83 1.75 0.93 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 588 F 8.32 4.17 0.00 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0.00 0.00 0.00 0.00 0.00 2.33 2.50 0.00 605 P 0.00 4.63 0.00 2.05 1.92 0.00 3.76 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 606 P 0.00 3.90 0.00 2.07 1.50 0.00 3.43 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 2.06 0.00 607 L 8.47 4.54 0.00 1.20 0.88 1.07 0.72 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 0.00 608 Y 7.73 5.29 0.00 2.85 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 0.00 609 K 8.51 4.31 0.00 1.62 1.27 0.00 1.83 0.00 0.00 1.53 0.00 0.00 2.73 0.00 0.00 3.02 0.00 0.00 0.00 0.00 0.94 0.62 7.81 610 L 8.88 3.82 0.00 1.54 0.73 0.76 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 611 K 8.00 4.45 0.00 1.55 1.65 0.00 1.80 0.00 0.00 1.59 0.00 0.00 2.86 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.34 1.21 7.81 612 W 7.59 4.21 0.00 3.49 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 0.00 613 Q 9.46 4.22 0.00 2.20 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 7.40 0.00 0.00 0.00 0.00 0.00 2.41 2.42 0.00 614 R 7.70 4.81 0.00 1.82 1.87 0.00 3.23 0.00 0.00 3.24 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.68 0.00 615 S 8.05 4.77 0.00 3.82 3.64 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 0.00 616 D 8.78 4.50 0.00 2.75 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 0.00 617 P 0.00 4.78 0.00 1.74 2.00 0.00 3.81 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 2.11 2.08 0.00 618 E 8.78 5.03 0.00 2.21 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 2.38 2.56 0.00 619 F 9.13 5.35 0.00 2.78 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 0.00 620 A 8.70 4.94 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 621 Y 8.86 4.58 0.00 2.97 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 0.00 622 S 7.67 4.76 0.00 4.07 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 0.00 623 D 8.92 4.71 0.00 2.80 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 624 R 8.14 3.91 0.00 1.92 2.00 0.00 3.23 0.00 0.00 3.30 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.74 0.00 625 E 8.22 4.07 0.00 2.24 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 0.00 2.44 2.44 0.00 626 R 8.16 3.93 0.00 2.02 2.00 0.00 2.46 0.00 0.00 2.25 7.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.23 0.00 627 D 8.44 4.53 0.00 2.78 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 0.00 628 G 8.16 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 0.00 629 L 8.06 4.10 0.00 2.27 1.86 1.01 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 630 L 8.45 4.24 0.00 2.01 1.78 0.61 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 631 E 8.46 3.97 0.00 2.11 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 632 A 8.43 4.08 1.40 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 0.00 0.00 0.00 633 G 8.62 2.78 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 0.00 634 L 8.47 4.37 0.00 1.78 1.77 0.98 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 635 K 8.16 3.98 0.00 1.95 1.87 0.00 1.59 0.00 0.00 1.87 0.00 0.00 3.09 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.45 7.81 636 A 7.52 4.41 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 0.00 637 G 8.77 3.83 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 0.00 0.00 0.00 638 K 8.01 4.58 0.00 1.54 1.17 0.00 0.61 0.00 0.00 1.14 0.00 0.00 2.43 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.19 7.81 639 K 8.64 4.92 0.00 1.81 1.74 0.00 1.74 0.00 0.00 1.77 0.00 0.00 2.80 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.49 1.45 7.81 640 I 8.04 4.70 1.40 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.49 0.71 0.00 0.00 641 N 8.31 4.30 0.00 2.53 2.60 0.00 0.00 6.58 5.86 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 0.00 642 K 8.62 4.14 0.00 1.71 1.77 0.00 1.77 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.40 7.81 643 E 8.84 4.43 0.00 1.90 1.92 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 2.22 2.18 0.00 644 D 7.73 4.84 0.00 2.65 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 0.00 645 G 8.03 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 0.00 0.00 0.00 646 I 7.15 4.46 1.63 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.21 0.54 0.00 0.00 647 Q 8.42 3.83 0.00 1.92 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.82 0.00 0.00 0.00 0.00 0.00 1.90 2.11 0.00 648 R 8.40 4.78 0.00 2.00 1.87 0.00 3.36 0.00 0.00 3.18 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.73 0.00 649 Y 7.81 4.23 0.00 2.91 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 0.00 650 K 8.92 4.26 0.00 1.77 1.78 0.00 1.81 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.56 1.38 7.81 651 G 9.24 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 652 L 7.62 4.59 0.00 1.73 1.98 0.86 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 653 G 8.73 4.01 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 0.00 0.00 0.00 654 E 9.14 4.10 0.00 1.89 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 2.36 2.50 0.00 655 M 7.23 4.43 0.00 1.58 1.95 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.37 0.00 656 D 7.41 4.89 0.00 2.84 2.70 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 0.00 657 A 8.40 4.21 1.28 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 0.00 658 K 9.39 4.39 0.00 1.88 2.30 0.00 1.74 0.00 0.00 1.83 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.44 7.81 659 E 8.28 4.51 0.00 2.21 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 0.00 2.43 2.55 0.00 660 L 7.72 4.40 0.00 1.74 1.59 0.81 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 661 W 7.73 3.91 0.00 3.41 3.11 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 0.00 662 E 8.69 4.45 0.00 2.10 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 0.00 2.65 2.66 0.00 663 T 7.64 4.04 3.80 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 1.05 0.00 0.00 664 T 7.33 4.46 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 1.17 0.00 0.00 665 M 7.39 3.62 0.00 1.10 0.57 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.87 0.00 666 D 6.87 3.94 0.00 2.32 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 0.00 667 P 0.00 4.32 0.00 2.19 2.15 0.00 3.75 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.04 0.00 668 S 7.26 4.27 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 0.00 669 V 7.49 3.80 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 0.84 0.00 0.00 1.05 0.00 0.00 670 R 8.00 3.92 0.00 1.75 1.89 0.00 2.94 0.00 0.00 3.04 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.44 0.00 671 V 7.67 4.03 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.25 0.00 0.00 672 L 8.21 5.12 0.00 1.47 1.65 0.87 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 673 R 8.74 4.50 0.00 1.84 1.73 0.00 3.08 0.00 0.00 3.07 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.51 0.00 674 Q 8.74 3.34 0.00 1.48 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.59 0.00 0.00 0.00 0.00 0.00 1.96 1.63 0.00 675 V 7.39 4.23 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 0.74 0.00 0.00 0.83 0.00 0.00 676 T 8.74 4.43 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 1.13 0.00 0.00 677 L 8.40 4.01 0.00 1.72 1.82 0.94 1.21 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 0.00 678 D 7.98 4.25 0.00 2.66 2.66 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 0.00 679 D 7.77 4.29 0.00 2.87 2.65 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 0.00 680 A 8.25 3.83 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 0.00 681 A 7.67 2.99 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 0.00 682 A 7.70 3.77 1.28 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 0.00 683 A 7.47 3.85 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 0.00 684 D 7.67 4.23 0.00 2.40 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 0.00 685 E 8.18 3.86 0.00 2.02 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 2.27 2.29 0.00 686 L 8.51 3.79 0.00 1.73 1.66 0.89 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 687 F 8.16 4.02 0.00 3.12 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 0.00 688 S 8.03 4.20 0.00 4.06 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 0.00 689 I 8.42 3.84 1.82 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 1.48 0.72 0.86 0.00 0.00 690 L 7.30 4.09 0.00 1.44 1.49 0.74 0.79 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 0.00 691 M 7.63 4.20 0.00 1.83 1.87 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.50 0.00 * Residues marked with a * may have inaccurate shift predictions.