NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *453 H 4.7060 8.4029 117.3773 54.6675 30.5063 175.5999 454 E 4.2052 8.1624 118.1967 59.0835 29.3225 178.7781 455 K 4.5835 7.7323 122.4611 58.4477 32.3410 183.0993 456 S 4.7413 8.4146 115.1470 60.9007 62.7121 176.0120 457 S 4.3013 7.9886 117.5685 60.7003 62.7839 174.8453 458 S 4.6856 7.9373 115.1020 57.7153 62.4380 172.9475 459 F 4.4365 8.1449 122.2868 59.7591 39.6906 175.5348 460 G 3.5574 8.0153 115.9642 45.1489 0.0000 172.8483 461 Y 4.2496 6.8353 116.6923 57.8741 38.5145 175.2155 462 W 5.2479 8.1940 118.2957 55.9148 31.8258 172.8300 463 C 4.9198 8.8351 114.2990 57.3654 33.2794 172.5067 464 S 5.0524 8.9586 113.9143 55.9874 65.1799 171.7740 465 P 4.8366 0.0000 0.0000 62.5346 31.9425 176.8594 466 S 4.7548 9.1810 118.4237 57.3174 64.9709 173.7859 467 P 4.2340 0.0000 0.0000 65.8036 30.7726 178.9041 468 E 4.0238 8.0949 116.2286 59.5311 29.6585 178.8832 469 Q 4.1407 8.2465 118.1128 58.8778 28.7437 178.7322 470 L 3.7476 8.2165 120.7709 57.5426 41.2900 179.2908 471 E 4.4315 7.9670 116.1645 58.8260 29.7353 178.4532 472 R 4.2148 7.5212 117.4006 56.0873 30.6781 176.3190 473 L 4.5850 6.9703 119.5925 53.4526 43.1318 177.3827 474 S 4.4020 8.7302 116.7882 58.0649 64.8287 175.3904 475 L 4.0515 8.5815 125.1382 58.6004 41.4657 180.4377 476 K 4.1388 7.9340 122.9424 60.0528 31.8026 181.4210 477 Q 4.1917 8.0761 119.7286 58.5091 28.5106 178.4943 478 L 4.0567 8.0425 120.5547 57.0793 42.2400 178.1366 479 A 4.3348 7.8225 119.9328 53.6227 19.5015 176.8650 480 A 4.8329 7.3840 117.9470 50.7920 19.0654 176.4286 481 V 3.8569 8.4748 123.2893 61.9967 31.9560 176.2437 482 S 4.9859 8.6530 123.3941 57.1093 65.1672 173.7017 483 N 4.4644 8.8539 117.3343 54.3046 36.1477 174.2871 484 F 4.8680 7.7568 120.4398 58.3787 40.7547 174.0983 485 V 4.7741 8.0853 125.1358 61.0330 35.1510 173.8575 486 I 4.1845 8.3604 127.0933 59.1831 41.5613 174.2005 487 G 3.5442 6.9806 114.8383 44.5297 0.0000 170.6496 488 R 4.4528 7.2226 118.8158 53.8554 32.8992 175.0948 489 R 3.9895 8.5238 126.4163 58.1674 30.3545 177.3642 490 G 3.9663 9.1825 111.0380 45.3355 0.0000 172.9701 491 Y 4.4526 9.6417 116.2984 57.4902 40.8346 176.1355 492 G 3.6507 6.6501 104.6849 46.6212 0.0000 169.9143 493 C 4.8932 7.8479 117.8752 58.4161 35.7040 174.0606 494 I 4.5856 8.7531 125.4013 59.6876 39.9607 174.6452 495 T 4.5745 8.6344 124.0179 61.4410 70.5746 173.5648 496 F 4.5449 8.8656 125.9993 57.7335 39.1457 176.0546 497 Q 4.4454 9.5150 121.2934 57.0379 29.5897 175.2152 498 H 5.1579 8.1633 114.1419 53.1337 32.1317 172.6817 499 D 4.8173 8.5628 119.7782 55.2908 41.7557 176.3825 500 V 4.4495 8.6449 114.4176 59.5796 35.9815 174.2502 501 D 5.0017 8.4346 122.5627 51.9670 42.7083 176.3026 502 L 4.7982 8.6431 126.3235 54.7579 41.9201 178.9484 503 T 3.8921 8.2726 111.6946 64.2498 68.7550 175.5070 504 A 3.8452 7.3426 123.1986 53.5362 18.5536 177.4994 505 F 4.9087 7.4448 114.1167 57.0884 39.4780 177.5370 506 T 3.1819 7.7364 114.2105 64.1500 68.6435 176.2048 507 K 3.8661 7.8835 123.4455 57.1232 32.0743 182.7791 508 S 4.3669 7.3734 108.2557 56.2497 66.0415 176.8922 509 F 4.0782 7.9066 129.4107 60.5873 38.8185 177.4984 510 R 2.8345 7.7436 117.6266 59.2409 29.7275 178.0495 511 E 3.9251 7.6896 117.5084 58.9726 29.8777 178.2470 512 E 4.0529 8.4636 119.2345 59.1665 29.7227 179.1349 513 L 3.9564 7.7735 118.9280 56.3686 42.2284 176.7583 514 F 3.7926 7.6947 119.3721 57.6126 37.2742 175.5432 515 G 3.7010 8.1589 112.5061 44.8823 0.0000 170.9763 516 K 4.3545 7.1552 116.3967 57.8780 34.9084 177.1154 517 I 3.8477 8.1009 119.2085 63.2194 38.5843 175.6437 518 V 4.6352 7.6140 121.9713 60.9196 34.0982 174.6791 519 I 4.9770 8.6561 128.5277 59.6337 40.4411 174.3844 520 F 4.9767 9.3291 127.0306 56.4743 39.7479 175.9469 521 R 4.7943 8.8818 123.2220 54.6246 32.2144 178.0395 522 S 4.5508 9.0139 117.0541 61.0928 63.0983 175.7231 523 S 4.4215 8.2191 112.6251 58.2816 62.5377 173.9064 524 K 4.0555 8.2391 119.0618 58.3921 29.7512 174.9209 525 T 5.1006 7.9205 106.9240 59.8612 72.8813 172.5995 526 V 4.7210 8.2350 119.9336 59.9667 34.3818 174.5876 527 E 4.8116 8.8973 122.2678 54.4982 33.2305 174.8607 528 V 4.2958 8.1462 122.5707 61.4548 33.8734 174.9808 529 Y 3.7505 8.2119 125.7454 58.5371 35.3035 168.9739 530 P 4.2684 0.0000 0.0000 64.9669 32.2503 176.4710 531 D 4.6970 8.0184 119.1521 52.5107 41.3327 176.0188 532 E 3.9103 9.0675 127.4615 59.6551 29.6361 179.6836 533 A 4.0950 7.9293 120.3098 54.7392 18.4622 178.1986 534 T 4.1200 7.8643 104.5256 62.1025 69.4249 174.8196 535 K 3.4271 7.9301 125.4115 54.6481 32.8364 174.6905 536 P 4.7386 0.0000 0.0000 62.0137 30.2862 179.1069 *538 I 3.8656 8.3962 116.5169 62.3024 37.6533 175.3478 539 G 4.0981 9.5334 114.5006 45.4380 0.0000 173.1175 540 H 4.8400 8.0940 116.2578 54.8580 31.9132 176.8345 541 G 4.1958 8.0103 110.1324 47.2355 0.0000 175.3736 542 L 4.2280 9.8759 125.2012 54.5324 42.3546 176.7752 543 N 5.1911 8.5657 120.9248 52.8950 37.4185 173.3748 544 V 5.0425 7.5883 112.0162 58.6531 36.9020 175.2611 545 P 4.6907 0.0000 0.0000 63.2645 32.4764 175.4729 546 A 4.8957 8.8532 123.3338 50.7515 23.3553 175.0202 547 I 4.4368 8.4610 122.0722 59.8080 39.2468 174.8914 548 I 4.6128 8.0557 127.9224 59.5077 40.2902 174.5370 549 T 4.8538 8.5552 123.1865 61.6901 71.0735 173.2158 550 L 5.3934 9.1416 126.3231 53.1437 44.9303 175.6250 551 E 4.7877 9.4432 122.7667 55.0196 32.4121 175.4325 552 N 3.9522 8.2973 116.3421 54.3446 36.7665 174.8696 553 V 4.2119 7.9527 118.2379 61.9889 32.4959 174.2865 554 Y 4.7155 8.0997 123.5783 55.1849 41.9100 173.1409 555 P 3.4242 0.0000 0.0000 62.5572 31.9281 175.5626 556 V 4.5866 7.6115 112.8985 59.2120 35.2931 173.7675 557 D 4.3011 8.9082 120.6638 56.3836 40.1911 178.7354 *560 T 4.1307 9.2077 114.4009 60.5141 70.7841 175.7929 561 K 3.8103 7.9376 123.5137 55.6712 30.5410 181.8278 562 K 4.4177 7.5678 119.8366 54.4173 33.0431 181.3698 563 P 5.0631 0.0000 0.0000 62.7744 30.8641 178.3846 *565 K 3.6844 8.5452 121.8811 53.7344 33.5845 172.3968 566 D 4.6680 7.8718 120.3433 54.5227 40.3687 176.5706 567 T 4.0593 8.3295 116.5588 62.2537 69.2808 175.8537 568 T 4.1235 8.0168 112.7965 64.1159 69.4431 175.7707 569 K 4.4451 8.0129 124.7028 55.4062 30.7238 177.2541 570 F 4.5106 8.2490 123.6068 60.9931 39.8909 176.0247 571 A 4.1796 8.1539 120.2818 55.3111 18.2835 179.3233 572 E 3.8791 8.1805 116.5561 59.4405 29.5602 179.4365 573 F 4.0433 7.9949 117.5635 60.5146 38.9380 177.7470 574 Q 3.9740 8.1499 117.8824 58.6597 28.4414 178.8812 575 V 3.4984 7.9198 119.4203 65.9506 31.5294 177.8218 576 F 4.0015 8.1441 120.3227 61.3343 39.1088 176.4650 577 D 3.9473 8.5306 117.9773 57.3966 41.0408 178.5226 578 R 3.7945 8.0620 120.9832 59.3991 29.7423 179.7994 579 K 3.7611 7.4510 122.8143 59.6386 31.7567 181.3175 580 L 3.8443 7.0474 119.3524 57.6618 41.5703 179.7937 581 R 3.8919 7.6290 116.8746 57.7280 30.2466 177.6332 582 S 4.2909 7.4256 116.3461 57.8696 62.9194 174.5285 *584 R 4.4078 8.2586 128.3194 57.2283 31.3745 176.8646 585 E 4.2166 7.8498 113.2363 55.8566 29.6784 178.2382 *587 N 4.6785 8.1391 117.8122 53.6002 40.2806 173.8732 588 Y 4.5653 9.0272 125.6152 58.7716 38.9824 174.9132 589 I 4.4946 8.4721 126.7477 62.5275 39.3508 175.6020 590 S 4.2710 7.1917 113.5547 57.9027 66.4250 172.8203 591 Y 5.1866 8.3966 121.0960 56.9251 41.3886 173.0142 592 N 4.8000 8.6291 127.2495 51.0626 40.4038 173.8706 593 P 3.9243 0.0000 0.0000 64.9484 31.5844 175.8752 594 F 4.5521 7.7574 118.5459 56.7540 37.4609 174.9647 595 G 4.0364 9.3434 112.3751 44.1606 0.0000 171.8821 596 G 3.3776 7.3345 106.6095 45.6185 0.0000 174.3748 597 T 4.8665 7.6728 116.5949 62.0727 69.9480 175.0884 598 W 5.5927 9.4410 135.0000 56.3391 32.5158 174.7937 599 T 5.0543 8.9722 124.8173 61.7449 70.8426 173.5887 600 F 5.2017 8.2410 119.9991 55.6901 42.0040 172.6058 601 K 4.9173 9.0492 120.9613 54.6633 34.2486 175.5168 602 V 4.4911 8.5385 119.7028 59.8247 34.7071 176.2565 603 N 4.5174 8.4949 119.4285 54.1867 39.2831 174.1405 604 H 4.6678 6.7912 111.4977 55.4862 30.6645 172.9834 605 F 4.8692 9.6335 117.0384 57.2391 39.7764 175.8684 606 E 4.1736 8.6851 119.2270 57.3745 30.1305 177.5004 607 G 4.1345 8.7113 109.1811 46.0881 0.0000 173.4936 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 *453 H 8.40 4.71 0.00 2.85 3.14 0.00 7.16 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 454 E 8.16 4.21 0.00 2.05 1.98 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 2.32 2.00 0.00 455 K 7.73 4.58 0.00 1.76 1.82 0.00 1.76 0.00 0.00 1.87 0.00 0.00 2.94 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.44 1.06 7.81 456 S 8.41 4.74 0.00 4.03 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 0.00 457 S 7.99 4.30 0.00 4.09 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 0.00 458 S 7.94 4.69 0.00 3.86 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 0.00 459 F 8.14 4.44 0.00 3.11 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 0.00 460 G 8.02 3.56 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 0.00 0.00 0.00 461 Y 6.84 4.25 0.00 2.02 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 0.00 462 W 8.19 5.25 0.00 3.33 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 0.00 463 C 8.84 4.92 0.00 2.89 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 0.00 464 S 8.96 5.05 0.00 4.08 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 0.00 465 P 0.00 4.84 0.00 2.10 2.01 0.00 4.05 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 2.08 2.16 0.00 466 S 9.18 4.75 0.00 4.22 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 467 P 0.00 4.23 0.00 2.20 2.13 0.00 3.72 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.15 0.00 468 E 8.09 4.02 0.00 1.95 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 2.35 2.50 0.00 469 Q 8.25 4.14 0.00 2.25 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.39 2.42 0.00 470 L 8.22 3.75 0.00 0.85 0.30 0.46 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 471 E 7.97 4.43 0.00 2.30 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.47 0.00 472 R 7.52 4.21 0.00 1.91 2.02 0.00 3.16 0.00 0.00 3.23 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.87 0.00 473 L 6.97 4.58 0.00 1.73 1.57 0.84 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 474 S 8.73 4.40 0.00 4.05 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 0.00 475 L 8.58 4.05 0.00 1.61 1.77 0.93 0.83 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 0.00 476 K 7.93 4.14 0.00 1.76 1.82 0.00 1.80 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.44 1.10 7.81 477 Q 8.08 4.19 0.00 2.25 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00 478 L 8.04 4.06 0.00 1.97 1.78 0.83 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 479 A 7.82 4.33 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 480 A 7.38 4.83 1.18 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 0.00 481 V 8.47 3.86 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 0.90 0.00 0.00 0.83 0.00 0.00 482 S 8.65 4.99 0.00 3.85 3.79 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 0.00 483 N 8.85 4.46 0.00 2.95 2.97 0.00 0.00 6.92 7.45 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 0.00 484 F 7.76 4.87 0.00 3.18 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 0.00 485 V 8.09 4.77 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 0.84 0.00 0.00 0.95 0.00 0.00 486 I 8.36 4.18 1.44 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.01 0.94 0.00 0.00 487 G 6.98 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 0.00 0.00 0.00 488 R 7.22 4.45 0.00 0.67 0.72 0.00 2.21 0.00 0.00 2.25 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.50 0.00 489 R 8.52 3.99 0.00 1.74 1.83 0.00 3.01 0.00 0.00 3.05 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.69 0.00 490 G 9.18 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 491 Y 9.64 4.45 0.00 2.69 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 0.00 492 G 6.65 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 0.00 493 C 7.85 4.89 0.00 2.97 2.67 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 0.00 0.00 0.00 494 I 8.75 4.59 1.59 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.68 0.07 0.00 0.00 495 T 8.63 4.57 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 1.19 0.00 0.00 496 F 8.87 4.54 0.00 3.23 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 497 Q 9.51 4.45 0.00 1.94 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.69 0.00 0.00 0.00 0.00 0.00 2.42 2.45 0.00 498 H 8.16 5.16 0.00 3.17 3.22 0.00 5.73 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 499 D 8.56 4.82 0.00 2.62 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 0.00 500 V 8.64 4.45 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 0.31 0.00 0.00 0.60 0.00 0.00 501 D 8.43 5.00 0.00 2.78 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 0.00 502 L 8.64 4.80 0.00 1.67 1.83 0.09 0.22 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 0.00 503 T 8.27 3.89 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 504 A 7.34 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 505 F 7.44 4.91 0.00 3.20 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 0.00 506 T 7.74 3.18 4.10 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 1.22 0.00 0.00 507 K 7.88 3.87 0.00 1.80 1.77 0.00 1.86 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.36 1.00 7.81 508 S 7.37 4.37 0.00 3.71 3.61 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 0.00 509 F 7.91 4.08 0.00 3.05 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 0.00 510 R 7.74 2.83 0.00 1.68 1.78 0.00 3.18 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.45 0.00 511 E 7.69 3.93 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 2.27 2.30 0.00 512 E 8.46 4.05 0.00 1.94 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 2.65 0.00 513 L 7.77 3.96 0.00 1.58 1.74 1.01 0.33 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 0.00 514 F 7.69 3.79 0.00 2.90 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 515 G 8.16 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 0.00 516 K 7.16 4.35 0.00 1.61 1.87 0.00 1.77 0.00 0.00 1.82 0.00 0.00 2.82 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.27 1.39 7.81 517 I 8.10 3.85 1.46 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.36 0.29 0.00 0.00 518 V 7.61 4.64 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 0.94 0.00 0.00 0.77 0.00 0.00 519 I 8.66 4.98 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.74 0.98 0.00 0.00 520 F 9.33 4.98 0.00 2.40 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 0.00 521 R 8.88 4.79 0.00 1.87 1.94 0.00 3.18 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 522 S 9.01 4.55 0.00 4.00 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 0.00 523 S 8.22 4.42 0.00 4.05 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 0.00 524 K 8.24 4.06 0.00 2.11 2.13 0.00 1.90 0.00 0.00 1.94 0.00 0.00 3.24 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.48 1.75 7.81 525 T 7.92 5.10 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 1.38 0.00 0.00 526 V 8.23 4.72 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 -0.15 0.00 0.00 527 E 8.90 4.81 0.00 1.87 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 0.00 2.23 2.22 0.00 528 V 8.15 4.30 1.21 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 0.14 0.00 0.00 0.31 0.00 0.00 529 Y 8.21 3.75 0.00 3.18 2.94 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 0.00 530 P 0.00 4.27 0.00 2.20 2.33 0.00 3.78 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.95 0.00 531 D 8.02 4.70 0.00 2.74 2.67 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 0.00 0.00 0.00 532 E 9.07 3.91 0.00 2.05 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 2.44 2.30 0.00 533 A 7.93 4.10 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 0.00 534 T 7.86 4.12 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 1.29 0.00 0.00 535 K 7.93 3.43 0.00 1.65 1.78 0.00 1.83 0.00 0.00 1.83 0.00 0.00 3.37 0.00 0.00 3.45 0.00 0.00 0.00 0.00 1.27 1.18 7.81 536 P 0.00 4.74 0.00 2.15 1.16 0.00 2.52 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.82 0.00 *538 I 8.40 3.87 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.80 0.96 0.00 0.00 539 G 9.53 4.10 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 0.00 540 H 8.09 4.84 0.00 3.20 3.21 0.00 5.97 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 541 G 8.01 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 0.00 0.00 0.00 0.00 542 L 9.88 4.23 0.00 1.59 1.56 0.58 0.56 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 0.00 543 N 8.57 5.19 0.00 2.97 2.97 0.00 0.00 6.92 8.55 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 0.00 544 V 7.59 5.04 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 0.95 0.00 0.00 1.23 0.00 0.00 545 P 0.00 4.69 0.00 1.96 1.91 0.00 3.40 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.27 0.00 546 A 8.85 4.90 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 547 I 8.46 4.44 1.72 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 1.25 0.77 0.73 0.00 0.00 548 I 8.06 4.61 0.56 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.41 0.61 0.00 0.00 549 T 8.56 4.85 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 1.22 0.00 0.00 550 L 9.14 5.39 0.00 1.87 1.81 1.21 0.95 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 0.00 551 E 9.44 4.79 0.00 1.87 1.85 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 2.27 2.30 0.00 552 N 8.30 3.95 0.00 2.93 3.06 0.00 0.00 6.84 7.79 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 0.00 553 V 7.95 4.21 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 1.14 0.00 0.00 1.35 0.00 0.00 554 Y 8.10 4.72 0.00 2.90 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 555 P 0.00 3.42 0.00 1.72 1.51 0.00 3.09 0.00 0.00 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.98 0.00 556 V 7.61 4.59 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 0.68 0.00 0.00 0.88 0.00 0.00 557 D 8.91 4.30 0.00 2.68 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 0.00 0.00 0.00 *560 T 9.21 4.13 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 1.19 0.00 0.00 561 K 7.94 3.81 0.00 1.92 1.80 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.29 1.23 7.81 562 K 7.57 4.42 0.00 1.72 1.71 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.37 1.25 7.81 563 P 0.00 5.06 0.00 2.12 2.04 0.00 3.35 0.00 0.00 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.96 0.00 *565 K 8.55 3.68 0.00 1.82 1.78 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.01 7.81 566 D 7.87 4.67 0.00 2.75 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 0.00 567 T 8.33 4.06 3.73 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 0.59 0.00 0.00 568 T 8.02 4.12 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 1.27 0.00 0.00 569 K 8.01 4.45 0.00 2.09 1.89 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.65 1.56 7.81 570 F 8.25 4.51 0.00 3.13 3.18 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 0.00 571 A 8.15 4.18 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 572 E 8.18 3.88 0.00 1.89 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.29 0.00 573 F 7.99 4.04 0.00 3.06 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 0.00 574 Q 8.15 3.97 0.00 2.17 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.81 0.00 0.00 0.00 0.00 0.00 2.11 2.00 0.00 575 V 7.92 3.50 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.92 0.00 0.00 576 F 8.14 4.00 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 0.00 577 D 8.53 3.95 0.00 2.98 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 0.00 578 R 8.06 3.79 0.00 1.93 1.83 0.00 3.13 0.00 0.00 3.14 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.71 0.00 579 K 7.45 3.76 0.00 1.88 1.73 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.39 1.36 7.81 580 L 7.05 3.84 0.00 1.38 1.48 -0.52 -0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 581 R 7.63 3.89 0.00 1.55 1.63 0.00 2.82 0.00 0.00 2.92 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.67 0.00 582 S 7.43 4.29 0.00 3.97 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 *584 R 8.26 4.41 0.00 1.88 1.93 0.00 3.26 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.20 0.00 585 E 7.85 4.22 0.00 1.98 1.85 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 2.23 1.90 0.00 *587 N 8.14 4.68 0.00 2.91 2.92 0.00 0.00 6.62 7.48 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 0.00 588 Y 9.03 4.57 0.00 3.21 2.91 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 0.00 589 I 8.47 4.49 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 1.28 0.93 0.86 0.00 0.00 590 S 7.19 4.27 0.00 3.85 3.89 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 0.00 591 Y 8.40 5.19 0.00 3.11 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 592 N 8.63 4.80 0.00 2.75 2.57 0.00 0.00 6.52 7.40 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 0.00 593 P 0.00 3.92 0.00 1.14 1.89 0.00 3.70 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.88 0.00 594 F 7.76 4.55 0.00 3.18 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 595 G 9.34 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 0.00 0.00 0.00 596 G 7.33 3.38 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 0.00 597 T 7.67 4.87 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 1.24 0.00 0.00 598 W 9.44 5.59 0.00 3.69 3.29 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 0.00 599 T 8.97 5.05 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 1.09 0.00 0.00 600 F 8.24 5.20 0.00 3.07 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 601 K 9.05 4.92 0.00 1.66 1.68 0.00 1.71 0.00 0.00 1.69 0.00 0.00 2.86 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.28 1.45 7.81 602 V 8.54 4.49 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.40 0.00 0.00 603 N 8.49 4.52 0.00 2.70 2.88 0.00 0.00 6.80 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 0.00 604 H 6.79 4.67 0.00 3.34 3.29 0.00 5.66 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 0.00 605 F 9.63 4.87 0.00 3.17 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 0.00 606 E 8.69 4.17 0.00 1.99 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 2.35 2.17 0.00 607 G 8.71 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 * Residues marked with a * may have inaccurate shift predictions.