NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 483 C 4.5012 8.3449 120.8620 59.0497 33.5370 174.7400 484 C 4.4089 7.9206 115.5873 57.7236 41.3329 173.4157 485 Y 5.4449 8.1459 116.6454 55.4760 40.6274 173.1484 *496 K 4.2250 7.9998 117.0945 56.7391 33.6313 174.3078 497 L 4.6701 8.2249 117.6608 54.5363 42.7629 177.5128 498 K 4.3263 8.5292 121.2365 55.4506 33.5172 174.8252 499 P 4.4145 0.0000 0.0000 64.2263 31.3920 177.4368 500 G 3.9822 9.0823 111.0517 45.4853 0.0000 173.7646 501 K 4.3015 7.4792 118.7965 55.7054 33.0076 176.9452 502 Q 3.9800 8.1960 121.8832 57.4270 29.4082 173.1479 503 C 4.7325 6.8131 110.4166 55.0682 43.1170 172.0767 504 S 4.8177 7.8626 114.0174 55.3975 64.1329 172.8237 505 P 4.1269 0.0000 0.0000 65.9244 31.1774 178.1553 506 S 4.0587 8.0808 112.6818 61.4812 62.5058 175.7819 507 Q 4.0450 8.2278 118.6825 56.0781 28.8934 176.6184 508 G 4.8198 7.4139 110.1329 44.2006 0.0000 171.4902 509 P 4.5626 0.0000 0.0000 64.1653 31.6106 177.4163 510 C 4.9484 7.7936 116.3223 57.0851 40.7953 172.1998 511 C 5.4451 7.9942 118.6882 54.6175 46.3735 173.6096 512 T 4.1936 8.7662 117.1675 61.0433 69.0872 175.3303 513 A 3.9997 8.5334 124.7858 54.9100 18.4586 178.0593 514 H 4.6686 7.8601 112.0726 55.5300 29.3561 174.2228 515 C 4.5685 8.6761 114.1533 57.7782 36.0310 172.6577 516 A 4.8748 7.3093 118.9668 49.7130 22.7435 176.8907 517 F 4.8635 8.1968 119.3007 57.8324 39.9023 175.6112 518 K 4.5215 8.8545 122.2983 55.5530 33.6875 176.9368 519 S 4.6099 8.5346 116.0656 58.0679 63.5277 175.7289 520 K 5.1326 8.6281 119.2909 56.6145 31.5354 177.7775 521 T 4.6125 8.6960 106.7692 62.4113 71.2169 173.0130 522 E 4.4087 7.6287 123.4490 55.5792 31.0059 175.7798 523 K 4.7249 8.6334 125.9585 56.7094 32.7184 175.1990 524 C 5.0715 9.7384 119.8296 54.7019 43.6399 173.8781 525 R 4.6800 7.7181 120.4763 54.6893 32.9528 174.0767 526 D 4.8188 8.8471 125.9309 54.2454 41.9628 175.4023 527 D 4.6292 8.4217 120.3410 55.0577 42.4149 174.2258 528 S 4.5383 8.0222 113.1768 57.4307 65.7434 174.6827 529 D 4.5135 8.8841 122.7138 57.1441 40.5996 178.5471 530 C 4.6768 8.1882 114.1715 56.5963 37.0439 173.0129 531 A 5.0697 7.5996 120.7135 49.9024 21.6413 176.4102 532 K 4.7589 8.6239 120.7906 55.2259 33.5865 176.7182 533 E 4.4152 8.7541 119.5127 56.6044 30.6598 176.2938 534 G 4.1351 8.8088 108.7546 45.0546 0.0000 172.8540 535 I 5.1026 8.1890 124.3070 59.4939 40.2395 176.1591 536 C 4.7487 9.3810 122.5934 56.7894 41.4151 174.2224 537 N 4.3896 8.8313 117.1038 52.2530 37.7907 176.1310 538 G 4.4534 8.1818 106.6585 46.9258 0.0000 173.9267 539 I 3.8756 8.8700 120.2321 61.0378 39.1748 175.2518 540 T 4.0414 7.0571 111.9831 60.0898 70.5446 172.8098 541 A 4.7723 8.5839 125.5413 52.1719 19.2713 176.9819 542 L 4.7049 7.6088 116.6988 53.5440 43.2383 175.5345 543 C 4.5806 8.4503 121.8900 54.3145 43.9259 171.8353 544 P 4.2993 0.0000 0.0000 63.4291 30.8041 178.0203 545 A 3.0448 6.9635 118.2707 50.4250 20.8190 177.4263 546 S 4.6234 8.0162 112.9324 57.7941 62.5102 170.1777 547 D 4.6595 8.6724 125.7236 53.6593 41.7823 174.2548 548 P 4.8812 0.0000 0.0000 62.3711 32.6107 176.0696 549 K 4.3548 9.3613 122.6105 54.9658 33.1092 174.9486 550 P 4.2467 0.0000 0.0000 62.6992 31.5376 175.7329 551 N 4.4905 8.0193 116.1453 56.0567 38.9460 177.8087 552 F 4.4721 7.7507 118.7983 57.8418 39.0153 175.8654 553 T 4.2343 8.4831 118.5650 63.1642 69.3464 174.7671 554 D 4.9412 8.6725 126.1899 55.2495 41.7378 174.3752 555 C 4.7015 9.2044 114.6435 54.4440 45.7480 172.6938 556 N 4.0651 9.0396 114.3748 54.9598 38.1813 173.9767 557 R 3.7216 8.1942 109.7210 58.1982 26.6888 176.5101 558 H 4.0060 8.1290 108.9542 56.9427 27.7307 176.6435 559 T 4.1281 7.7169 117.8599 65.9556 68.7794 173.9895 560 Q 5.1121 8.4205 118.7259 54.5427 33.8434 174.3010 561 V 4.8906 8.1585 111.4140 60.0017 35.7949 174.4990 562 C 4.9601 8.3431 119.3478 56.1597 40.0316 173.1615 563 I 4.4237 8.6521 125.1224 59.2933 39.5375 175.2609 564 N 4.1323 9.3108 127.1453 54.9720 35.9796 174.5523 565 G 4.0619 7.8403 99.2549 45.9249 0.0000 171.9616 566 Q 4.3727 7.4536 115.1512 54.0322 33.0253 173.9338 567 C 4.8326 8.7290 122.3994 56.0428 37.4476 171.5846 568 A 4.6083 8.4393 132.7625 52.0103 22.0940 175.4503 569 G 3.8525 8.6740 103.8593 45.6970 0.0000 172.5353 570 S 4.6750 8.4734 113.8954 55.3570 66.0594 175.3786 571 I 3.7032 8.2913 124.7496 64.4772 37.6651 177.6346 572 C 4.2836 8.2832 116.9618 60.0073 38.2433 175.4898 573 E 3.9780 8.4069 119.7043 58.4486 28.7646 179.0615 574 K 3.7971 7.8992 119.7232 58.6281 32.2042 177.4376 575 H 4.5348 7.4897 114.0588 55.0603 29.5730 175.8063 576 G 3.7647 7.8702 107.8600 45.5289 0.0000 173.8236 577 L 4.6172 7.0898 119.2972 53.3081 44.1956 175.4215 578 E 4.7586 8.7714 118.0688 54.4612 33.4275 175.6732 579 E 4.6862 8.8530 124.5476 56.6998 30.4617 174.5105 580 C 5.1034 9.1643 119.7367 54.1524 45.3972 173.6734 581 T 4.2757 8.4073 116.4850 63.3311 68.3070 174.8815 582 C 4.4095 8.0142 123.7971 58.9583 41.1714 176.9756 *591 K 4.2473 8.1419 117.9647 56.7456 33.2548 177.2623 592 E 4.2141 9.1716 127.0969 57.2610 29.9999 178.5597 593 L 4.1580 7.4962 119.7275 57.4226 41.9526 176.8643 594 C 5.0779 8.1613 116.2467 56.9803 41.4665 172.8871 595 H 5.1627 7.9958 114.6691 53.9235 31.1585 174.6643 596 V 3.9368 8.5688 122.4111 62.6659 32.5156 174.0704 597 C 5.3632 8.8078 125.2089 55.4422 44.3940 173.7252 598 C 5.7216 9.1140 119.4227 55.6751 44.6725 172.5464 599 M 5.6001 8.5514 116.0509 54.1413 34.4191 174.5625 600 K 4.5814 8.8949 119.8426 56.0616 33.2487 177.5588 601 K 4.1918 8.6600 121.7367 58.0375 32.5496 178.2036 602 M 3.2894 8.7857 119.0770 56.1800 30.7296 177.2305 603 E 4.7354 7.6106 118.2778 53.5614 29.3861 174.9227 604 P 4.4588 0.0000 0.0000 64.7247 31.9397 179.3506 605 S 4.1130 8.0182 113.4996 61.0428 62.4687 174.4266 606 T 4.1349 8.0750 108.7672 61.8454 69.0612 173.3877 607 C 4.8233 7.8602 123.1525 57.6311 45.1956 172.4844 608 A 5.1022 9.5709 127.9482 49.7492 22.5465 175.3429 609 S 4.8164 8.7740 114.4003 58.5475 63.8736 175.6252 610 T 3.7514 8.2550 111.3561 64.1214 68.4992 175.0196 611 G 4.1162 7.7457 110.3137 45.5119 0.0000 173.7445 612 S 4.6963 7.4212 113.2914 56.1056 65.1776 174.6872 613 V 3.7139 8.3773 113.8271 64.5119 31.4390 177.3298 614 Q 4.0725 7.5786 116.5488 56.3073 29.3373 177.2970 615 W 4.6150 9.0363 115.8998 58.2393 28.3907 176.2638 616 N 4.4683 8.3253 116.8012 56.7440 38.0706 176.3772 617 K 3.8764 8.0755 118.7135 58.6010 32.1674 176.8665 618 Y 4.4169 7.5774 114.5065 59.2525 39.7305 176.7659 619 F 4.7472 8.8229 116.0099 55.7539 40.4511 175.3441 620 L 4.8482 8.5877 117.9391 55.9812 39.5070 174.3803 621 G 4.1213 7.9646 98.1093 46.7082 0.0000 172.8783 622 R 4.5824 7.8620 116.7987 54.5566 31.7172 177.9821 623 T 4.2693 8.2231 120.9285 62.0190 67.2573 173.1158 624 I 3.8127 8.4279 126.2239 61.5217 38.3642 174.6130 625 T 4.7915 8.2214 121.1340 59.8928 69.3356 173.9479 626 L 4.2095 8.6260 128.3641 54.7254 42.5339 177.3731 627 Q 4.1488 8.1609 119.5923 54.6969 29.4005 174.2898 628 P 4.6015 0.0000 0.0000 64.4846 31.5798 175.9804 629 G 4.0781 9.0985 110.3790 45.7420 0.0000 174.3023 630 S 4.3861 8.1029 115.5614 57.9318 64.0922 172.3870 631 P 4.8468 0.0000 0.0000 62.8339 32.2644 174.5371 632 C 4.5454 8.8606 114.5289 54.4901 45.1747 172.6728 633 N 4.0051 8.9582 116.7367 55.9255 36.6589 173.6443 634 D 4.4804 8.5645 114.3665 56.0690 39.0520 173.9958 635 F 3.5644 7.8262 108.6773 58.8588 36.8037 177.1078 636 R 4.4214 7.8878 119.6785 57.2337 31.3926 176.2069 637 G 4.2345 7.3798 103.2866 45.6038 0.0000 171.0736 638 Y 5.9211 7.5478 116.1881 54.1437 42.1621 174.9749 639 C 5.1131 8.6652 117.0930 56.1159 37.0576 174.3483 640 D 4.8002 9.1175 124.2419 53.9678 41.6806 176.7776 641 V 3.8196 8.2452 117.8558 64.5530 31.6522 176.4756 642 F 4.4514 8.0983 116.2152 57.6465 39.1040 175.4419 643 M 3.2133 7.6840 119.1274 56.3837 29.9111 176.6524 644 R 4.6302 7.7739 116.5188 54.5758 32.5869 175.8915 645 C 4.7268 8.3958 120.2152 56.3648 44.8953 173.5668 646 R 3.5708 8.4141 125.5706 56.6890 31.1261 175.6398 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 483 C 8.34 4.50 0.00 2.97 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 0.00 484 C 7.92 4.41 0.00 3.10 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 0.00 485 Y 8.15 5.44 0.00 3.14 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 *496 K 8.00 4.22 0.00 2.02 2.11 0.00 1.51 0.00 0.00 1.83 0.00 0.00 2.88 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.41 1.49 7.81 497 L 8.22 4.67 0.00 1.57 1.64 0.94 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 498 K 8.53 4.33 0.00 1.76 1.73 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.80 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.46 1.61 7.81 499 P 0.00 4.41 0.00 1.93 1.99 0.00 3.72 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 2.03 2.10 0.00 500 G 9.08 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 0.00 501 K 7.48 4.30 0.00 1.85 1.68 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.80 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.55 1.53 7.81 502 Q 8.20 3.98 0.00 1.57 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.82 0.00 0.00 0.00 0.00 0.00 2.17 2.10 0.00 503 C 6.81 4.73 0.00 2.97 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 0.00 504 S 7.86 4.82 0.00 3.37 3.13 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 0.00 505 P 0.00 4.13 0.00 2.22 2.31 0.00 3.65 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 2.02 1.97 0.00 506 S 8.08 4.06 0.00 3.93 3.91 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 0.00 0.00 0.00 0.00 507 Q 8.23 4.04 0.00 2.02 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.16 0.00 0.00 0.00 0.00 0.00 2.29 2.30 0.00 508 G 7.41 4.82 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 0.00 509 P 0.00 4.56 0.00 2.19 2.18 0.00 3.74 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 1.99 1.98 0.00 510 C 7.79 4.95 0.00 3.07 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 0.00 511 C 7.99 5.45 0.00 2.89 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 0.00 512 T 8.77 4.19 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 1.25 0.00 0.00 513 A 8.53 4.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 514 H 7.86 4.67 0.00 3.04 3.31 0.00 5.98 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 0.00 515 C 8.68 4.57 0.00 3.07 3.28 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 0.00 516 A 7.31 4.87 1.12 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 0.00 0.00 517 F 8.20 4.86 0.00 2.98 2.90 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 0.00 518 K 8.85 4.52 0.00 1.78 1.76 0.00 1.68 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.54 7.81 519 S 8.53 4.61 0.00 4.01 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 0.00 520 K 8.63 5.13 0.00 1.87 2.13 0.00 1.14 0.00 0.00 2.41 0.00 0.00 3.01 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.40 1.39 7.81 521 T 8.70 4.61 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 0.00 522 E 7.63 4.41 0.00 1.95 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 0.00 2.31 2.46 0.00 523 K 8.63 4.72 0.00 1.86 1.70 0.00 1.71 0.00 0.00 1.75 0.00 0.00 2.98 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.42 1.54 7.81 524 C 9.74 5.07 0.00 2.91 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 0.00 525 R 7.72 4.68 0.00 1.84 1.82 0.00 3.17 0.00 0.00 3.33 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 526 D 8.85 4.82 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 0.00 527 D 8.42 4.63 0.00 2.66 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 0.00 528 S 8.02 4.54 0.00 3.76 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 0.00 529 D 8.88 4.51 0.00 2.69 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 0.00 530 C 8.19 4.68 0.00 2.93 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 0.00 531 A 7.60 5.07 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 532 K 8.62 4.76 0.00 1.64 1.76 0.00 1.70 0.00 0.00 1.75 0.00 0.00 2.98 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.60 7.81 533 E 8.75 4.42 0.00 2.12 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 2.27 2.31 0.00 534 G 8.81 4.14 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 0.00 0.00 0.00 535 I 8.19 5.10 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.69 0.94 0.00 0.00 536 C 9.38 4.75 0.00 3.02 2.99 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 0.00 537 N 8.83 4.39 0.00 2.74 2.87 0.00 0.00 6.11 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 538 G 8.18 4.45 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 0.00 0.00 0.00 539 I 8.87 3.88 1.82 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.43 0.69 0.00 0.00 540 T 7.06 4.04 4.05 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 1.11 0.00 0.00 541 A 8.58 4.77 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 542 L 7.61 4.70 0.00 1.64 1.58 0.91 0.72 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 0.00 543 C 8.45 4.58 0.00 2.92 2.99 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 0.00 544 P 0.00 4.30 0.00 2.19 2.01 0.00 3.86 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 2.08 1.92 0.00 545 A 6.96 3.04 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 0.00 546 S 8.02 4.62 0.00 3.91 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 0.00 547 D 8.67 4.66 0.00 2.62 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 0.00 548 P 0.00 4.88 0.00 2.04 2.01 0.00 3.74 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.97 0.00 549 K 9.36 4.35 0.00 1.57 1.77 0.00 1.73 0.00 0.00 1.69 0.00 0.00 3.14 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.39 7.81 550 P 0.00 4.25 0.00 2.04 2.04 0.00 3.67 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 2.04 2.15 0.00 551 N 8.02 4.49 0.00 2.70 2.38 0.00 0.00 7.64 8.13 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 0.00 552 F 7.75 4.47 0.00 3.02 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 0.00 553 T 8.48 4.23 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 1.20 0.00 0.00 554 D 8.67 4.94 0.00 2.39 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 555 C 9.20 4.70 0.00 2.94 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 0.00 556 N 9.04 4.07 0.00 2.88 2.90 0.00 0.00 7.21 7.53 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 0.00 557 R 8.19 3.72 0.00 2.10 2.00 0.00 3.33 0.00 0.00 3.35 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 558 H 8.13 4.01 0.00 3.27 3.47 0.00 5.89 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 0.00 559 T 7.72 4.13 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 1.21 0.00 0.00 560 Q 8.42 5.11 0.00 1.92 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.62 0.00 0.00 0.00 0.00 0.00 2.27 2.32 0.00 561 V 8.16 4.89 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 0.85 0.00 0.00 1.00 0.00 0.00 562 C 8.34 4.96 0.00 3.03 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 0.00 563 I 8.65 4.42 1.77 0.00 0.00 0.41 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 1.13 0.81 0.00 0.00 564 N 9.31 4.13 0.00 2.81 2.79 0.00 0.00 7.06 7.26 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 0.00 565 G 7.84 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 0.00 0.00 0.00 566 Q 7.45 4.37 0.00 2.28 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.95 0.00 0.00 0.00 0.00 0.00 2.25 2.26 0.00 567 C 8.73 4.83 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 0.00 568 A 8.44 4.61 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 569 G 8.67 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 0.00 570 S 8.47 4.67 0.00 3.85 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 0.00 571 I 8.29 3.70 2.10 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.28 0.97 0.00 0.00 572 C 8.28 4.28 0.00 2.97 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 0.00 573 E 8.41 3.98 0.00 2.28 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 2.37 2.34 0.00 574 K 7.90 3.80 0.00 1.80 1.61 0.00 1.85 0.00 0.00 1.57 0.00 0.00 2.96 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.09 1.40 7.81 575 H 7.49 4.53 0.00 2.24 1.61 0.00 5.81 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 0.00 576 G 7.87 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 0.00 577 L 7.09 4.62 0.00 1.39 1.51 -0.43 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 578 E 8.77 4.76 0.00 1.87 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 0.00 579 E 8.85 4.69 0.00 1.98 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 2.31 2.46 0.00 580 C 9.16 5.10 0.00 2.95 3.04 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 0.00 581 T 8.41 4.28 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 1.21 0.00 0.00 582 C 8.01 4.41 0.00 3.05 2.96 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 *591 K 8.14 4.25 0.00 1.78 1.23 0.00 1.66 0.00 0.00 1.85 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.41 1.36 7.81 592 E 9.17 4.21 0.00 1.96 2.03 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 2.31 2.23 0.00 593 L 7.50 4.16 0.00 1.67 1.75 0.89 0.83 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 0.00 594 C 8.16 5.08 0.00 2.98 3.04 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 0.00 595 H 8.00 5.16 0.00 3.19 3.20 0.00 5.84 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 0.00 596 V 8.57 3.94 1.94 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 0.81 0.00 0.00 0.88 0.00 0.00 597 C 8.81 5.36 0.00 3.09 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 0.00 598 C 9.11 5.72 0.00 2.27 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 599 M 8.55 5.60 0.00 2.22 2.42 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.73 0.00 600 K 8.89 4.58 0.00 1.82 1.90 0.00 1.99 0.00 0.00 1.84 0.00 0.00 2.82 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.78 1.79 7.81 601 K 8.66 4.19 0.00 1.84 1.75 0.00 1.82 0.00 0.00 1.83 0.00 0.00 2.88 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.67 1.48 7.81 602 M 8.79 3.29 0.00 2.19 2.21 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.56 0.00 603 E 7.61 4.74 0.00 2.06 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 2.24 2.46 0.00 604 P 0.00 4.46 0.00 2.24 2.35 0.00 3.82 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.99 0.00 605 S 8.02 4.11 0.00 3.87 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 0.00 606 T 8.08 4.13 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 607 C 7.86 4.82 0.00 3.06 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 0.00 608 A 9.57 5.10 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 609 S 8.77 4.82 0.00 3.95 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 0.00 610 T 8.25 3.75 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 0.31 0.00 0.00 611 G 7.75 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 0.00 0.00 0.00 612 S 7.42 4.70 0.00 3.98 3.91 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 0.00 0.00 0.00 0.00 613 V 8.38 3.71 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 0.73 0.00 0.00 0.86 0.00 0.00 614 Q 7.58 4.07 0.00 1.58 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.19 5.85 0.00 0.00 0.00 0.00 0.00 1.98 1.34 0.00 615 W 9.04 4.61 0.00 3.74 3.74 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 0.00 616 N 8.33 4.47 0.00 3.03 2.84 0.00 0.00 6.64 6.03 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 0.00 617 K 8.08 3.88 0.00 1.57 1.26 0.00 1.65 0.00 0.00 1.47 0.00 0.00 2.94 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.22 1.41 7.81 618 Y 7.58 4.42 0.00 2.69 1.60 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 0.00 619 F 8.82 4.75 0.00 3.39 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 0.00 620 L 8.59 4.85 0.00 1.76 1.73 0.96 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 621 G 7.96 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 0.00 0.00 0.00 622 R 7.86 4.58 0.00 1.98 1.91 0.00 3.36 0.00 0.00 3.27 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.78 0.00 623 T 8.22 4.27 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 1.25 0.00 0.00 624 I 8.43 3.81 1.74 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.80 0.90 0.00 0.00 625 T 8.22 4.79 4.07 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 1.15 0.00 0.00 626 L 8.63 4.21 0.00 1.50 1.57 0.91 0.92 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 0.00 627 Q 8.16 4.15 0.00 2.15 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.96 0.00 0.00 0.00 0.00 0.00 2.37 2.69 0.00 628 P 0.00 4.60 0.00 2.18 2.28 0.00 3.72 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 1.98 1.95 0.00 629 G 9.10 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 0.00 0.00 0.00 630 S 8.10 4.39 0.00 3.79 3.75 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 0.00 631 P 0.00 4.85 0.00 0.94 0.61 0.00 3.55 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 1.77 1.91 0.00 632 C 8.86 4.55 0.00 3.02 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 0.00 633 N 8.96 4.01 0.00 2.78 2.81 0.00 0.00 7.15 8.47 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 0.00 634 D 8.56 4.48 0.00 2.88 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 0.00 635 F 7.83 3.56 0.00 3.19 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 0.00 636 R 7.89 4.42 0.00 2.11 1.98 0.00 3.31 0.00 0.00 3.57 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 637 G 7.38 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 0.00 0.00 0.00 0.00 638 Y 7.55 5.92 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 0.00 639 C 8.67 5.11 0.00 2.94 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 0.00 640 D 9.12 4.80 0.00 2.94 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 0.00 641 V 8.25 3.82 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 0.57 0.00 0.00 0.88 0.00 0.00 642 F 8.10 4.45 0.00 3.09 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 0.00 643 M 7.68 3.21 0.00 2.14 2.23 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 2.52 2.54 0.00 644 R 7.77 4.63 0.00 2.10 1.78 0.00 3.02 0.00 0.00 3.20 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 645 C 8.40 4.73 0.00 2.86 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 646 R 8.41 3.57 0.00 1.76 1.72 0.00 3.24 0.00 0.00 3.42 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.49 0.00 * Residues marked with a * may have inaccurate shift predictions.