NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 440 K 4.2907 8.3144 120.1383 55.8297 33.5406 175.0934 441 Q 3.9033 8.4351 122.1286 55.2945 29.6136 174.4743 442 F 4.6343 9.3201 127.2703 57.0550 41.7263 174.1719 443 H 4.6929 8.0778 125.0952 54.3016 29.5891 174.3385 444 T 4.6182 8.3716 114.5349 61.0115 70.9206 174.0557 445 G 3.8412 8.7743 108.9752 46.4380 0.0000 173.5783 446 I 4.4956 7.5545 111.2384 58.5750 39.9949 174.5402 447 E 4.4914 8.4016 120.0681 54.8163 32.5289 175.9160 448 I 4.3594 8.4942 125.7779 59.8980 36.7224 176.0013 449 K 4.0989 9.3497 125.8317 57.0486 33.0655 177.1440 450 V 4.5102 8.0449 118.9888 60.8580 33.4104 174.4688 451 W 5.7624 8.3615 123.8030 54.9806 32.1474 173.5239 452 A 4.8571 8.9708 121.3004 50.2541 22.8027 174.8593 453 I 5.0276 8.9280 120.7065 59.4740 40.0025 174.6088 454 A 4.9592 9.0978 129.0103 50.3705 21.5379 174.4324 455 C 4.7490 8.7333 124.2850 58.3171 32.9815 173.8416 456 F 5.5839 9.6217 124.4152 56.7141 39.2761 175.8300 457 A 4.7414 7.8969 121.9919 49.6188 20.8025 175.5889 458 P 4.3535 0.0000 0.0000 62.4566 31.8692 177.5125 459 Q 3.8194 8.1970 123.2078 58.5968 28.4482 178.8774 460 R 3.6198 7.8576 118.4634 59.0386 30.0923 177.4788 461 Q 4.5757 7.9080 116.2949 55.7727 30.2872 175.0173 462 C 4.6345 7.5825 120.3817 57.1871 31.8198 173.2984 463 T 4.5119 8.1985 117.4276 59.9798 71.4953 174.8678 464 E 4.0065 8.7055 120.7684 59.5874 29.5100 178.9704 465 V 3.6533 7.7587 118.5943 64.9861 31.5197 177.9536 466 H 4.2650 7.8729 115.8635 58.8170 28.5950 177.7721 467 L 4.1901 8.0943 120.7924 57.7886 41.4478 179.7902 468 K 4.1410 8.4709 118.9463 59.2499 31.9680 179.6754 469 S 4.1803 8.2616 114.7854 61.2997 62.9678 176.1142 470 F 4.1957 8.4155 124.4701 61.5336 39.0607 177.2775 471 T 3.7379 8.2794 115.1556 66.5995 68.1751 176.3343 472 E 3.9339 8.3318 121.2652 59.3409 29.7552 178.9165 473 Q 3.9654 8.2612 118.3562 58.7908 28.7443 178.4263 474 L 3.7829 7.8645 121.5884 57.5739 41.9861 178.9375 475 R 3.8764 7.9714 119.0594 59.3082 30.0494 178.7449 476 K 3.9164 7.7302 117.8762 59.4958 32.1818 179.3392 477 I 3.7046 7.6054 118.9612 64.0108 37.6962 178.0736 478 S 4.1310 7.7639 114.2812 61.1744 63.0400 176.2301 479 R 3.9766 7.9037 122.2430 59.4737 29.6787 177.9438 480 D 4.4128 7.8869 116.9451 57.3332 40.9173 178.0732 481 A 4.4889 7.6324 117.7762 51.0033 20.3908 176.5653 482 G 3.4730 7.8298 107.7329 45.5282 0.0000 171.1768 *484 P 4.3192 0.0000 0.0000 62.9217 33.5557 176.9234 485 I 4.4591 8.1973 125.3820 59.1437 38.3658 175.4641 486 Q 4.0312 8.8946 128.5582 56.7600 29.4745 178.1193 487 G 3.7879 9.1660 114.4777 47.2136 0.0000 172.7837 488 Q 4.3877 7.8326 120.6766 53.1741 30.4600 173.1128 489 P 3.2507 0.0000 0.0000 62.1892 31.8467 176.2946 490 C 4.2204 8.0706 114.9888 59.6962 30.5123 173.3804 491 F 4.3457 7.1819 119.4542 57.5906 42.4903 172.1954 492 C 4.9352 8.0185 126.5233 58.1278 33.3120 172.5911 493 K 4.4499 8.4229 124.6491 54.7442 36.6094 175.1964 494 Y 4.9569 8.4084 118.5741 57.2339 39.7754 174.7749 495 A 4.7227 8.5204 122.5917 51.0923 23.4919 175.3121 496 Q 4.7931 8.0513 119.2131 55.4048 33.0010 176.5440 497 G 4.1425 9.0663 106.8005 46.0129 0.0000 174.1626 498 A 3.9212 8.5080 122.2449 55.1362 18.1609 179.9443 499 D 4.4550 8.0643 115.7819 56.5996 41.0361 177.9601 500 S 4.4767 7.7979 112.9496 59.4775 63.5141 176.2117 501 V 3.6042 7.4942 122.3610 66.0005 31.5329 176.9819 502 E 4.0506 7.9043 118.2440 58.7922 29.1685 177.4107 503 P 4.3759 0.0000 0.0000 63.7291 31.8282 177.8870 *505 F 4.7683 8.1734 119.1519 57.7998 40.9738 177.4826 506 R 3.9661 8.4257 119.7324 59.7156 29.6658 178.6028 507 H 4.1967 8.0944 117.3322 59.1770 29.8681 177.3615 508 L 4.0088 7.7573 120.3933 57.5192 41.2479 179.2065 509 K 3.9038 8.0760 118.8267 59.7414 32.3177 178.4847 510 N 4.4599 8.0895 114.7314 55.5677 38.4873 176.6054 511 T 4.2834 7.3385 115.5904 63.1187 70.4862 174.0442 512 Y 4.4602 7.6249 119.1597 55.2819 37.8575 174.0375 513 A 4.0860 8.1255 126.7306 53.2467 19.1642 178.0923 514 G 3.8827 8.9084 109.7730 45.4082 0.0000 173.2886 515 L 4.0854 7.5388 121.4661 55.7148 42.2614 176.6743 516 Q 4.5085 9.0273 124.9015 57.1062 30.5754 175.8395 517 L 4.6259 7.5938 118.4490 53.8850 45.9111 173.8018 518 V 4.7676 8.3451 125.2807 61.1003 34.1427 174.3055 519 V 4.5727 9.2063 129.3141 62.1644 32.9895 174.5940 520 V 4.9299 8.9543 129.0105 61.4656 33.5654 174.2612 521 I 4.8656 8.8743 129.9347 60.2347 38.2644 174.9227 522 L 5.2607 8.8495 127.4625 52.2456 44.4287 176.1410 523 P 4.4976 0.0000 0.0000 63.4980 32.8705 177.9380 524 G 4.7374 7.1395 107.2695 45.7888 0.0000 174.4991 525 K 4.1214 8.3257 125.9989 56.2449 32.8235 175.9545 526 T 4.4527 7.9527 115.2566 59.2186 70.0006 172.2707 527 P 4.3920 0.0000 0.0000 65.3418 31.1861 178.6939 528 V 3.3482 7.7369 118.9164 65.9981 31.2331 176.8886 529 Y 3.9213 7.8427 118.5799 60.9408 38.5393 178.2550 530 A 3.9505 8.0977 120.8234 55.1443 18.4797 179.3525 531 E 3.7799 7.7669 117.1587 59.3435 29.4873 179.5359 532 V 3.2730 7.8627 118.6675 65.8728 31.4648 178.2591 533 K 3.8285 7.6151 118.0740 59.2579 31.9682 179.1438 534 R 3.8089 8.0672 119.2470 59.5060 29.9941 178.7148 535 V 3.6478 8.1722 118.2636 65.8993 31.1383 178.3066 536 G 3.6307 8.4748 105.7954 48.1718 0.0000 175.5815 537 D 4.4865 8.2388 120.7929 56.2645 40.9145 177.4595 538 T 4.3973 7.7087 114.1112 64.1299 70.6354 175.3892 539 V 4.0674 7.8989 118.8245 64.2018 32.4054 176.3225 540 L 4.2911 8.2986 116.9465 53.3794 42.6330 174.0590 541 G 3.5490 7.5332 111.0503 44.9336 0.0000 172.6868 *543 A 4.2853 8.0782 126.9114 51.4639 20.1134 175.2464 544 T 5.0824 8.4931 111.5234 59.9570 72.5205 173.4050 545 Q 4.4829 8.9927 123.8931 54.7400 32.0973 173.9786 546 C 5.1861 8.9709 124.7175 59.7788 29.3684 173.5890 547 V 4.5383 8.9653 121.1391 60.1056 34.6686 175.5901 548 Q 4.9174 8.7200 125.9486 55.2642 28.9590 177.6333 *550 K 4.8314 8.4713 117.0518 58.0871 34.4406 177.2478 551 N 4.7930 8.0599 114.5656 54.0311 38.9687 175.9685 552 V 3.7555 7.4980 117.5619 64.8386 32.7295 176.8488 553 Q 3.9549 8.0473 118.3949 58.3952 28.6790 176.5178 554 R 4.6556 7.7179 116.8046 54.7193 32.9821 175.0203 555 T 4.6411 8.4715 113.5796 61.1256 70.5212 174.6551 556 T 4.7541 8.0259 111.9034 58.7204 73.1501 173.1866 557 P 4.2436 0.0000 0.0000 65.9545 31.3603 178.8278 558 Q 3.9546 8.0208 118.1050 59.3794 29.1068 178.2034 559 T 4.1494 8.0542 110.9056 64.6180 68.8666 176.7654 560 L 4.0288 8.1275 121.9385 57.5900 41.5476 179.3015 561 S 4.0607 8.3495 113.2915 61.4080 62.3303 175.6981 562 N 4.2892 8.2599 119.1987 56.4866 38.2812 177.0729 563 L 3.9912 8.0029 121.2902 58.3990 42.1959 178.7100 564 C 4.1340 8.3042 116.7770 62.8476 27.9945 176.1317 565 L 4.2170 8.2769 120.7216 57.8018 40.6982 179.7713 566 K 4.0190 8.0971 118.3697 59.5795 31.8825 179.4333 567 I 3.7361 8.1216 120.4559 64.4002 36.9506 178.0183 568 N 4.1445 8.3382 117.9366 56.5300 38.5064 176.9646 569 V 3.5834 7.3711 118.3970 66.1196 31.6904 177.8918 570 K 4.1696 7.5715 115.4066 58.1140 32.0427 178.2092 571 L 4.6746 7.4390 117.2587 54.7025 43.3777 176.5795 572 G 3.4707 8.0295 112.2344 45.5825 0.0000 173.2814 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 440 K 8.31 4.29 0.00 1.79 1.83 0.00 1.74 0.00 0.00 1.72 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.36 1.46 7.81 441 Q 8.44 3.90 0.00 2.07 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.77 0.00 0.00 0.00 0.00 0.00 2.23 2.39 0.00 442 F 9.32 4.63 0.00 2.98 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 0.00 443 H 8.08 4.69 0.00 2.96 3.07 0.00 5.68 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 444 T 8.37 4.62 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 1.48 0.00 0.00 445 G 8.77 3.84 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 0.00 0.00 0.00 446 I 7.55 4.50 1.80 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 1.32 0.66 0.83 0.00 0.00 447 E 8.40 4.49 0.00 1.91 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 2.18 2.28 0.00 448 I 8.49 4.36 1.69 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.48 0.84 0.00 0.00 449 K 9.35 4.10 0.00 1.75 1.91 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.46 1.38 7.81 450 V 8.04 4.51 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.98 0.00 0.00 451 W 8.36 5.76 0.00 3.56 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 0.00 452 A 8.97 4.86 0.98 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 0.00 453 I 8.93 5.03 1.79 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.14 0.90 0.00 0.00 454 A 9.10 4.96 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 455 C 8.73 4.75 0.00 2.71 2.35 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 0.00 456 F 9.62 5.58 0.00 3.15 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 0.00 457 A 7.90 4.74 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 0.00 458 P 0.00 4.35 0.00 2.17 1.95 0.00 3.75 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 2.28 2.10 0.00 459 Q 8.20 3.82 0.00 0.93 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.87 0.00 0.00 0.00 0.00 0.00 2.22 2.03 0.00 460 R 7.86 3.62 0.00 1.79 1.91 0.00 3.25 0.00 0.00 3.21 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.71 0.00 461 Q 7.91 4.58 0.00 2.08 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.75 0.00 0.00 0.00 0.00 0.00 2.33 2.34 0.00 462 C 7.58 4.63 0.00 2.91 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 0.00 463 T 8.20 4.51 4.27 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 1.31 0.00 0.00 464 E 8.71 4.01 0.00 2.11 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 2.41 2.41 0.00 465 V 7.76 3.65 2.07 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 0.67 0.00 0.00 0.93 0.00 0.00 466 H 7.87 4.26 0.00 3.50 3.41 0.00 5.64 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 467 L 8.09 4.19 0.00 1.92 1.79 0.84 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 468 K 8.47 4.14 0.00 1.84 1.89 0.00 1.68 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.60 7.81 469 S 8.26 4.18 0.00 4.14 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 0.00 470 F 8.42 4.20 0.00 3.23 3.43 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 0.00 471 T 8.28 3.74 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 472 E 8.33 3.93 0.00 2.12 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 0.00 2.32 2.39 0.00 473 Q 8.26 3.97 0.00 2.17 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.58 0.00 0.00 0.00 0.00 0.00 2.56 2.53 0.00 474 L 7.86 3.78 0.00 1.09 1.38 0.71 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 475 R 7.97 3.88 0.00 1.99 2.06 0.00 3.16 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.81 0.00 476 K 7.73 3.92 0.00 1.78 1.81 0.00 1.71 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.57 7.81 477 I 7.61 3.70 1.83 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.32 0.93 0.00 0.00 478 S 7.76 4.13 0.00 3.99 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 0.00 479 R 7.90 3.98 0.00 1.96 2.16 0.00 3.27 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.81 0.00 480 D 7.89 4.41 0.00 2.88 2.72 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 0.00 481 A 7.63 4.49 1.36 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 0.00 0.00 482 G 7.83 3.47 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 0.00 *484 P 0.00 4.32 0.00 2.12 2.22 0.00 3.96 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 1.94 1.99 0.00 485 I 8.20 4.46 1.44 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.35 -0.42 0.00 0.00 486 Q 8.89 4.03 0.00 2.30 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.84 0.00 0.00 0.00 0.00 0.00 2.80 2.47 0.00 487 G 9.17 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 0.00 0.00 0.00 488 Q 7.83 4.39 0.00 1.97 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.85 0.00 0.00 0.00 0.00 0.00 2.23 2.21 0.00 489 P 0.00 3.25 0.00 1.68 0.49 0.00 3.63 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.48 0.00 490 C 8.07 4.22 0.00 2.77 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 0.00 491 F 7.18 4.35 0.00 2.66 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 0.00 0.00 0.00 0.00 492 C 8.02 4.94 0.00 2.72 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 0.00 493 K 8.42 4.45 0.00 1.41 1.41 0.00 1.35 0.00 0.00 1.44 0.00 0.00 2.54 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.82 0.21 7.81 494 Y 8.41 4.96 0.00 2.79 2.81 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 0.00 495 A 8.52 4.72 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 496 Q 8.05 4.79 0.00 2.10 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.43 0.00 0.00 0.00 0.00 0.00 2.35 2.32 0.00 497 G 9.07 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 0.00 498 A 8.51 3.92 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 0.00 499 D 8.06 4.46 0.00 2.68 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 0.00 500 S 7.80 4.48 0.00 4.15 4.15 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 0.00 501 V 7.49 3.60 1.96 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 -0.02 0.00 0.00 0.72 0.00 0.00 502 E 7.90 4.05 0.00 2.01 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 2.39 2.41 0.00 503 P 0.00 4.38 0.00 2.26 2.10 0.00 3.58 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.15 0.00 *505 F 8.17 4.77 0.00 3.06 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 0.00 506 R 8.43 3.97 0.00 1.90 2.03 0.00 3.15 0.00 0.00 3.12 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.97 0.00 507 H 8.09 4.20 0.00 3.32 3.36 0.00 5.78 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 508 L 7.76 4.01 0.00 1.71 1.50 0.40 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 509 K 8.08 3.90 0.00 1.73 2.00 0.00 1.81 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.47 7.81 510 N 8.09 4.46 0.00 2.69 2.82 0.00 0.00 7.02 6.87 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 0.00 511 T 7.34 4.28 3.67 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 0.43 0.00 0.00 512 Y 7.62 4.46 0.00 3.04 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 0.00 513 A 8.13 4.09 1.24 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 0.00 0.00 514 G 8.91 3.88 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 0.00 0.00 0.00 515 L 7.54 4.09 0.00 1.88 1.60 0.78 1.19 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 0.00 516 Q 9.03 4.51 0.00 2.06 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.32 0.00 0.00 0.00 0.00 0.00 2.32 2.54 0.00 517 L 7.59 4.63 0.00 1.74 1.52 0.99 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 518 V 8.35 4.77 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 0.72 0.00 0.00 0.55 0.00 0.00 519 V 9.21 4.57 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 1.16 0.00 0.00 1.14 0.00 0.00 520 V 8.95 4.93 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 1.18 0.00 0.00 1.21 0.00 0.00 521 I 8.87 4.87 1.91 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.58 0.89 0.00 0.00 522 L 8.85 5.26 0.00 1.60 1.58 1.08 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 523 P 0.00 4.50 0.00 2.20 2.22 0.00 3.98 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.02 0.00 524 G 7.14 4.74 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 0.00 0.00 0.00 525 K 8.33 4.12 0.00 1.74 1.73 0.00 1.75 0.00 0.00 1.54 0.00 0.00 2.87 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.40 1.34 7.81 526 T 7.95 4.45 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 0.00 527 P 0.00 4.39 0.00 2.28 2.29 0.00 3.76 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.02 0.00 528 V 7.74 3.35 1.86 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 -0.03 0.00 0.00 0.77 0.00 0.00 529 Y 7.84 3.92 0.00 3.04 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 0.00 530 A 8.10 3.95 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 0.00 531 E 7.77 3.78 0.00 2.02 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 2.25 2.52 0.00 532 V 7.86 3.27 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 1.18 0.00 0.00 0.70 0.00 0.00 533 K 7.62 3.83 0.00 1.72 1.69 0.00 1.71 0.00 0.00 1.39 0.00 0.00 2.50 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.78 1.11 7.81 534 R 8.07 3.81 0.00 1.90 2.10 0.00 3.07 0.00 0.00 3.08 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 535 V 8.17 3.65 1.97 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 0.98 0.00 0.00 0.87 0.00 0.00 536 G 8.47 3.63 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 0.00 0.00 0.00 537 D 8.24 4.49 0.00 2.77 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 0.00 538 T 7.71 4.40 4.50 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 0.00 0.00 0.00 1.20 0.00 0.00 539 V 7.90 4.07 2.22 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 0.83 0.00 0.00 0.92 0.00 0.00 540 L 8.30 4.29 0.00 1.69 1.73 0.95 0.98 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 0.00 541 G 7.53 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *543 A 8.08 4.29 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 0.00 544 T 8.49 5.08 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 545 Q 8.99 4.48 0.00 2.18 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.03 0.00 0.00 0.00 0.00 0.00 2.29 2.44 0.00 546 C 8.97 5.19 0.00 3.11 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 0.00 547 V 8.97 4.54 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 0.81 0.00 0.00 0.94 0.00 0.00 548 Q 8.72 4.92 0.00 2.11 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.51 0.00 0.00 0.00 0.00 0.00 2.45 2.24 0.00 *550 K 8.47 4.83 0.00 1.95 2.10 0.00 1.66 0.00 0.00 1.77 0.00 0.00 2.87 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.38 1.43 7.81 551 N 8.06 4.79 0.00 2.90 2.96 0.00 0.00 6.90 7.84 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 0.00 552 V 7.50 3.76 1.88 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 0.55 0.00 0.00 0.34 0.00 0.00 553 Q 8.05 3.95 0.00 2.25 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.12 6.62 0.00 0.00 0.00 0.00 0.00 2.20 2.28 0.00 554 R 7.72 4.66 0.00 1.71 1.84 0.00 3.16 0.00 0.00 3.29 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.56 0.00 555 T 8.47 4.64 4.35 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 1.52 0.00 0.00 556 T 8.03 4.75 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 1.24 0.00 0.00 557 P 0.00 4.24 0.00 2.18 2.15 0.00 3.61 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 2.12 2.15 0.00 558 Q 8.02 3.95 0.00 2.12 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.92 0.00 0.00 0.00 0.00 0.00 2.43 2.42 0.00 559 T 8.05 4.15 4.30 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 1.24 0.00 0.00 560 L 8.13 4.03 0.00 1.86 1.73 0.93 0.54 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 0.00 561 S 8.35 4.06 0.00 3.89 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 0.00 562 N 8.26 4.29 0.00 3.07 2.90 0.00 0.00 6.70 6.32 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 0.00 563 L 8.00 3.99 0.00 1.86 1.89 1.01 1.09 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 0.00 564 C 8.30 4.13 0.00 3.18 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 0.00 565 L 8.28 4.22 0.00 1.89 1.80 0.92 1.00 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 0.00 566 K 8.10 4.02 0.00 2.02 2.08 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.71 7.81 567 I 8.12 3.74 1.97 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.36 0.84 0.00 0.00 568 N 8.34 4.14 0.00 2.72 2.82 0.00 0.00 6.84 7.25 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 0.00 569 V 7.37 3.58 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 0.91 0.00 0.00 1.04 0.00 0.00 570 K 7.57 4.17 0.00 1.93 1.85 0.00 1.88 0.00 0.00 1.84 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.49 7.81 571 L 7.44 4.67 0.00 1.58 1.61 0.89 1.05 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 0.00 572 G 8.03 3.47 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 0.00 * Residues marked with a * may have inaccurate shift predictions.