NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 452 K 4.6098 8.1685 120.0949 56.3815 34.1196 174.2713 453 A 5.0696 8.9302 125.6177 48.9103 21.7949 173.8432 454 T 4.6983 9.3589 111.1963 59.6987 73.1873 170.5955 455 G 4.3029 8.4144 106.7898 43.8351 0.0000 174.1314 456 K 4.1348 9.6117 119.3891 55.8517 32.9768 178.5667 457 G 4.0055 7.4978 106.4810 45.8700 0.0000 172.0956 458 K 4.7244 8.3067 116.3051 53.5020 35.5945 174.0440 459 P 4.8991 0.0000 0.0000 62.0712 32.1467 175.9659 460 V 4.5243 7.9150 112.4811 59.6001 34.8236 174.8881 461 N 4.8212 8.3933 119.3412 51.6384 39.2580 174.9380 462 N 4.8770 8.5672 113.5313 53.0852 38.1642 175.4480 463 K 4.6481 7.4191 117.8601 54.9612 32.5128 176.8574 464 W 4.5236 8.7655 132.0737 60.9162 31.0840 176.9776 465 L 3.7012 7.6752 115.6847 55.7445 41.2759 178.4221 466 N 4.2247 7.6521 116.3818 55.9378 38.5939 175.3670 467 N 4.6459 7.9788 113.3432 53.3281 39.2312 175.7759 468 A 4.3780 8.3398 122.0450 52.8670 18.7891 178.7230 469 G 4.3365 7.9162 104.4035 44.4053 0.0000 173.3100 470 K 4.6504 7.7237 117.0571 56.0466 36.3683 176.9151 471 D 4.2778 8.1614 120.5247 56.2719 39.9450 174.5642 472 L 4.5437 8.8191 127.0614 55.2981 42.5818 177.0281 473 G 4.1318 8.2416 107.3375 46.1483 0.0000 175.0247 474 S 5.0002 9.1473 120.5863 55.5210 65.4568 171.8831 475 P 4.7858 0.0000 0.0000 62.4396 32.3231 176.2439 476 V 3.9240 8.0678 120.1429 62.7991 32.5543 173.9590 477 P 4.6040 0.0000 0.0000 62.4277 31.6200 176.7601 478 D 4.8054 9.0584 124.5945 56.4070 38.9098 179.6519 479 R 3.9541 7.7724 118.7742 58.8368 30.1087 178.9347 480 I 3.6396 7.5606 119.0964 64.0503 37.0914 177.7735 481 A 4.0224 8.4287 121.7732 55.7243 18.0122 180.0368 482 N 4.0163 8.2567 114.0663 56.1207 38.5575 177.3873 483 K 4.1464 7.9762 120.2215 59.1614 32.0982 179.3187 484 L 4.3416 7.9717 119.3602 56.8362 41.7713 178.5821 485 R 4.4955 8.1219 112.7203 57.4742 29.6192 176.1189 486 D 4.8515 7.6039 118.3799 54.8504 41.0413 176.8402 487 K 4.0802 8.0937 118.6001 57.4529 34.1132 174.3179 488 E 3.8330 8.0701 121.3619 56.2197 28.8123 173.7280 489 F 5.2699 8.3592 120.0742 56.1736 43.2510 174.3701 490 K 4.6573 8.5519 118.6023 55.9813 33.1610 176.5067 491 S 4.7494 7.5906 112.9991 56.7806 66.6370 175.4856 492 F 3.8578 8.5620 121.9432 59.9181 39.1243 176.2355 493 D 4.2905 8.0144 117.4233 57.5787 41.2849 177.3181 494 D 4.4036 8.7582 118.9165 57.1180 41.1573 178.0978 495 F 3.5647 7.5781 120.6533 60.7702 39.3723 177.1736 496 R 3.3220 7.2897 117.8662 59.0774 29.8917 178.2357 497 K 4.1861 7.8444 119.6068 59.1258 32.2259 179.3716 498 K 4.3441 7.7487 118.7640 58.2615 32.0187 179.3483 499 F 3.6799 7.5865 121.4431 60.6570 39.2401 177.2522 500 W 4.1730 8.0232 118.1487 60.0148 28.4856 178.8039 501 E 3.9361 8.1476 118.7543 59.5418 28.7498 179.6422 502 E 4.0223 7.9844 118.3364 58.9076 29.3038 179.3552 503 V 3.3677 7.3609 118.5904 65.3817 31.2839 177.6311 504 S 4.3454 7.7023 112.0405 59.5940 63.4307 175.4812 505 K 4.4088 7.4224 120.5421 55.6800 32.4796 175.7706 506 D 4.5677 7.5671 120.9928 52.7767 41.1797 175.1367 507 P 4.1603 0.0000 0.0000 65.8642 31.4748 177.5806 508 E 4.2947 9.1495 117.1159 56.6910 30.4149 177.1375 509 L 4.5168 7.8219 118.5694 56.5153 42.9814 178.8141 510 S 4.4898 8.5525 113.9553 61.0784 62.8728 176.4322 511 K 4.0287 7.6843 118.8146 59.1510 32.1260 177.4015 512 Q 4.2558 8.5530 117.2838 56.0031 29.2636 175.3808 513 F 4.7616 7.6563 116.8204 55.1938 41.3232 176.3194 514 S 4.4166 8.4034 118.3935 58.1837 64.9408 175.2836 515 R 3.8842 8.5535 121.9826 59.8003 29.8433 178.2314 516 N 4.5923 8.0944 115.5179 55.8159 38.7662 177.0864 517 N 4.3928 8.2885 118.2910 56.1732 38.6404 177.2596 518 N 4.2834 8.5426 118.4006 56.1058 38.4345 176.6055 519 D 4.3875 8.3034 118.8635 57.7353 41.4748 178.8539 520 R 4.0183 7.7933 117.4732 59.4653 30.1047 178.8480 521 M 4.1365 8.3417 122.1620 59.2576 31.7634 180.4892 522 K 4.4926 7.3081 122.2668 59.2725 32.2147 179.0369 523 V 4.3773 7.2406 110.6280 60.7692 31.7596 176.8029 524 G 4.1212 8.7111 110.5127 45.2977 0.0000 174.4838 525 K 4.2829 7.8004 118.7287 55.3806 33.2152 176.0067 526 A 2.8696 7.9817 124.5523 50.4788 19.4046 175.8901 527 P 4.2802 0.0000 0.0000 62.1933 32.8353 175.9176 528 K 4.4543 8.4474 121.8122 56.9113 32.5105 177.2523 529 T 4.0003 8.6147 115.1950 60.5529 70.1624 174.6787 530 R 4.0012 8.4732 120.9470 56.5443 30.9762 177.9992 531 T 3.8075 8.7263 112.1742 64.8426 68.6772 176.0724 532 Q 3.9358 8.1218 118.7581 58.5440 27.4962 177.1168 533 D 4.6552 8.2500 116.8204 53.7115 41.3362 176.4692 534 V 3.8441 7.4798 119.9571 62.7804 32.2313 175.4477 535 S 4.4358 8.5049 119.8313 57.2666 65.4411 173.3851 536 G 3.8072 8.4090 117.9202 47.2882 0.0000 173.5671 537 K 4.3360 8.6334 120.3533 56.6717 32.4534 176.7144 538 R 4.5325 8.0390 119.6905 54.8665 31.4396 176.3324 539 T 4.3611 8.3205 112.6445 60.9465 70.8569 173.9397 540 S 4.9355 7.6612 115.5741 56.3423 65.0659 174.1980 541 F 4.5425 8.5586 120.2003 58.5594 39.6152 174.7176 542 E 5.0412 9.7844 120.5480 54.7038 33.7429 174.6834 543 L 5.0349 8.7005 122.1159 53.7708 43.4415 175.2772 544 H 4.7753 8.9558 124.4501 54.6297 31.3888 173.5119 545 A 4.8071 8.2944 128.1128 50.4512 19.5663 176.6528 546 E 4.1052 8.9307 122.6752 57.8637 29.8551 176.6508 547 K 4.6376 7.4577 116.9864 54.9685 35.8778 174.3579 548 P 4.3150 0.0000 0.0000 63.4484 32.3161 177.4328 *555 V 4.0763 7.8608 116.1640 60.6804 33.4617 176.1585 556 Y 4.4435 7.5910 120.3755 56.8294 36.3122 172.2094 557 D 4.8447 8.0144 121.7546 53.3269 41.3673 176.6819 558 M 4.3784 9.0976 127.0733 56.8043 32.1958 177.1411 559 D 4.6809 8.8018 118.4542 55.4059 41.5358 176.4140 560 N 5.1428 8.0759 116.9607 52.8585 40.7733 173.5608 561 I 5.0347 7.8136 119.8972 59.6573 40.5389 174.9302 562 S 5.0117 8.9489 121.0763 56.5758 67.0913 172.4057 563 V 5.0209 8.8786 119.2584 61.5064 33.6488 175.0343 564 V 5.2369 9.2523 119.9486 59.7000 36.3936 174.8678 565 T 4.0828 9.1481 114.8941 61.0398 69.6377 173.5888 566 P 4.2099 0.0000 0.0000 66.1355 31.3636 179.0459 567 K 3.9744 7.5226 113.7932 59.3314 32.1395 179.3908 568 R 3.8773 7.8673 118.7309 59.7143 29.8550 177.9953 569 H 4.2567 8.6231 118.3267 59.2506 29.8454 176.9729 570 I 3.7111 7.7807 121.6857 64.9366 36.9586 178.1816 571 D 4.4460 8.0308 119.0868 56.9767 40.6330 179.0886 572 I 3.7447 7.6560 120.4663 64.8556 36.9978 178.1579 573 H 4.4568 7.8985 115.3367 57.5967 28.5310 176.8519 574 R 4.5591 7.8069 117.0241 55.7876 30.0180 177.4731 575 G 3.9132 7.7268 105.7925 46.2137 0.0000 174.5638 576 K 4.1499 8.7203 125.0038 56.5030 32.1252 176.5743 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 452 K 8.17 4.61 0.00 1.66 1.82 0.00 1.59 0.00 0.00 1.84 0.00 0.00 2.86 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.42 1.39 7.81 453 A 8.93 5.07 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 454 T 9.36 4.70 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 1.23 0.00 0.00 455 G 8.41 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 0.00 0.00 0.00 0.00 456 K 9.61 4.13 0.00 1.88 1.87 0.00 1.72 0.00 0.00 1.66 0.00 0.00 3.18 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.43 7.81 457 G 7.50 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 0.00 458 K 8.31 4.72 0.00 1.81 1.70 0.00 1.72 0.00 0.00 1.74 0.00 0.00 3.10 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.36 1.37 7.81 459 P 0.00 4.90 0.00 2.17 2.17 0.00 3.32 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.94 0.00 460 V 7.91 4.52 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 0.80 0.00 0.00 0.61 0.00 0.00 461 N 8.39 4.82 0.00 2.89 3.01 0.00 0.00 5.68 6.96 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 0.00 462 N 8.57 4.88 0.00 2.87 2.97 0.00 0.00 5.75 7.13 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 0.00 463 K 7.42 4.65 0.00 1.72 1.78 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.81 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.31 1.31 7.81 464 W 8.77 4.52 0.00 3.29 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 0.00 465 L 7.68 3.70 0.00 1.33 1.12 -0.05 -1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 466 N 7.65 4.22 0.00 2.86 2.91 0.00 0.00 6.91 8.97 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 0.00 467 N 7.98 4.65 0.00 2.83 3.01 0.00 0.00 7.06 7.54 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 0.00 468 A 8.34 4.38 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 0.00 469 G 7.92 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 0.00 0.00 0.00 0.00 470 K 7.72 4.65 0.00 1.90 1.87 0.00 1.75 0.00 0.00 1.83 0.00 0.00 2.93 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.40 1.69 7.81 471 D 8.16 4.28 0.00 2.81 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 0.00 0.00 0.00 472 L 8.82 4.54 0.00 1.64 1.69 1.01 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 473 G 8.24 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 0.00 474 S 9.15 5.00 0.00 3.50 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 475 P 0.00 4.79 0.00 2.18 2.15 0.00 4.02 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 2.21 2.09 0.00 476 V 8.07 3.92 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 1.03 0.00 0.00 477 P 0.00 4.60 0.00 1.87 1.49 0.00 3.56 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 1.05 0.74 0.00 478 D 9.06 4.81 0.00 2.86 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 0.00 479 R 7.77 3.95 0.00 1.86 1.94 0.00 3.06 0.00 0.00 3.29 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.65 0.00 480 I 7.56 3.64 1.73 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.28 0.59 0.00 0.00 481 A 8.43 4.02 1.45 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 0.00 482 N 8.26 4.02 0.00 2.94 2.85 0.00 0.00 7.21 8.24 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 0.00 483 K 7.98 4.15 0.00 1.87 1.85 0.00 1.65 0.00 0.00 1.63 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.61 1.79 7.81 484 L 7.97 4.34 0.00 1.91 2.08 0.85 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 485 R 8.12 4.50 0.00 2.08 2.19 0.00 3.09 0.00 0.00 3.27 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.64 0.00 486 D 7.60 4.85 0.00 2.71 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 0.00 487 K 8.09 4.08 0.00 1.87 1.39 0.00 1.94 0.00 0.00 1.80 0.00 0.00 3.17 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.33 1.63 7.81 488 E 8.07 3.83 0.00 1.85 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 2.07 2.18 0.00 489 F 8.36 5.27 0.00 3.45 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 0.00 490 K 8.55 4.66 0.00 1.83 1.88 0.00 1.79 0.00 0.00 2.00 0.00 0.00 2.91 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.41 1.54 7.81 491 S 7.59 4.75 0.00 4.10 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 0.00 492 F 8.56 3.86 0.00 3.01 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 0.00 493 D 8.01 4.29 0.00 2.81 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 D 8.76 4.40 0.00 2.88 3.10 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 0.00 495 F 7.58 3.56 0.00 2.39 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 496 R 7.29 3.32 0.00 1.70 1.96 0.00 3.68 0.00 0.00 3.38 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.81 0.00 497 K 7.84 4.19 0.00 2.05 1.89 0.00 1.76 0.00 0.00 1.78 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.51 1.55 7.81 498 K 7.75 4.34 0.00 1.79 1.94 0.00 1.81 0.00 0.00 1.84 0.00 0.00 2.97 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.69 1.84 7.81 499 F 7.59 3.68 0.00 2.06 2.50 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 0.00 500 W 8.02 4.17 0.00 3.41 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 0.00 501 E 8.15 3.94 0.00 2.25 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 0.00 2.33 2.68 0.00 502 E 7.98 4.02 0.00 1.75 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 0.00 2.38 2.38 0.00 503 V 7.36 3.37 1.65 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 1.17 0.00 0.00 0.11 0.00 0.00 504 S 7.70 4.35 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 0.00 505 K 7.42 4.41 0.00 1.65 1.86 0.00 1.67 0.00 0.00 1.61 0.00 0.00 3.09 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.41 7.81 506 D 7.57 4.57 0.00 2.56 2.43 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 0.00 507 P 0.00 4.16 0.00 2.24 2.28 0.00 3.73 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 2.05 2.02 0.00 508 E 9.15 4.29 0.00 2.00 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 2.39 0.00 509 L 7.82 4.52 0.00 1.73 1.66 0.51 0.27 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 0.00 510 S 8.55 4.49 0.00 4.01 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 0.00 511 K 7.68 4.03 0.00 1.92 2.03 0.00 1.60 0.00 0.00 1.71 0.00 0.00 3.17 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.64 1.46 7.81 512 Q 8.55 4.26 0.00 1.76 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.71 0.00 0.00 0.00 0.00 0.00 2.43 2.65 0.00 513 F 7.66 4.76 0.00 3.08 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 0.00 514 S 8.40 4.42 0.00 4.08 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 0.00 515 R 8.55 3.88 0.00 1.88 1.99 0.00 3.34 0.00 0.00 3.34 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.69 0.00 516 N 8.09 4.59 0.00 2.82 2.84 0.00 0.00 7.17 6.92 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 0.00 517 N 8.29 4.39 0.00 3.03 2.92 0.00 0.00 6.90 6.98 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 0.00 518 N 8.54 4.28 0.00 2.77 2.86 0.00 0.00 6.57 8.42 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 0.00 519 D 8.30 4.39 0.00 2.67 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 0.00 520 R 7.79 4.02 0.00 1.95 1.86 0.00 3.14 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.87 0.00 521 M 8.34 4.14 0.00 2.18 2.01 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.19 0.00 522 K 7.31 4.49 0.00 1.89 1.69 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.41 7.81 523 V 7.24 4.38 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 0.82 0.00 0.00 1.00 0.00 0.00 524 G 8.71 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 0.00 525 K 7.80 4.28 0.00 1.87 1.65 0.00 1.64 0.00 0.00 1.79 0.00 0.00 2.98 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.49 1.42 7.81 526 A 7.98 2.87 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 527 P 0.00 4.28 0.00 2.17 1.70 0.00 2.20 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.10 0.00 528 K 8.45 4.45 0.00 1.82 1.75 0.00 1.66 0.00 0.00 1.69 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.51 7.81 529 T 8.61 4.00 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 0.06 0.00 0.00 530 R 8.47 4.00 0.00 2.00 1.88 0.00 3.15 0.00 0.00 3.39 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.66 0.00 531 T 8.73 3.81 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 1.18 0.00 0.00 532 Q 8.12 3.94 0.00 2.15 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 7.00 0.00 0.00 0.00 0.00 0.00 2.31 2.38 0.00 533 D 8.25 4.66 0.00 2.63 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 0.00 534 V 7.48 3.84 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 0.68 0.00 0.00 0.88 0.00 0.00 535 S 8.50 4.44 0.00 3.81 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 0.00 536 G 8.41 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 0.00 537 K 8.63 4.34 0.00 1.75 1.82 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.44 7.81 538 R 8.04 4.53 0.00 1.98 1.96 0.00 3.06 0.00 0.00 3.21 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.51 0.00 539 T 8.32 4.36 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 1.17 0.00 0.00 540 S 7.66 4.94 0.00 4.02 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 0.00 541 F 8.56 4.54 0.00 2.87 3.23 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 0.00 542 E 9.78 5.04 0.00 2.08 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 0.00 2.32 2.48 0.00 543 L 8.70 5.03 0.00 1.66 1.61 0.47 0.41 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 0.00 544 H 8.96 4.78 0.00 3.08 3.14 0.00 5.76 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 0.00 545 A 8.29 4.81 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.93 4.11 0.00 1.98 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 0.00 2.33 2.30 0.00 547 K 7.46 4.64 0.00 1.96 1.67 0.00 1.74 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.30 1.33 7.81 548 P 0.00 4.32 0.00 2.16 2.04 0.00 3.76 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 1.95 1.93 0.00 *555 V 7.86 4.08 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 0.60 0.00 0.00 0.70 0.00 0.00 556 Y 7.59 4.44 0.00 2.61 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 0.00 0.00 0.00 0.00 557 D 8.01 4.84 0.00 2.73 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 0.00 558 M 9.10 4.38 0.00 2.10 2.26 0.00 0.00 0.00 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.98 2.68 0.00 559 D 8.80 4.68 0.00 2.85 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 0.00 560 N 8.08 5.14 0.00 2.63 2.73 0.00 0.00 6.64 8.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 561 I 7.81 5.03 1.87 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 1.40 1.10 0.87 0.00 0.00 562 S 8.95 5.01 0.00 3.99 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 0.00 563 V 8.88 5.02 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 1.30 0.00 0.00 1.08 0.00 0.00 564 V 9.25 5.24 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 0.66 0.00 0.00 0.93 0.00 0.00 565 T 9.15 4.08 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 566 P 0.00 4.21 0.00 2.24 2.16 0.00 3.47 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.28 0.00 567 K 7.52 3.97 0.00 1.78 1.84 0.00 1.82 0.00 0.00 1.58 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.42 7.81 568 R 7.87 3.88 0.00 1.97 2.08 0.00 3.15 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 569 H 8.62 4.26 0.00 3.37 3.38 0.00 5.68 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 0.00 570 I 7.78 3.71 2.08 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 1.75 0.67 0.91 0.00 0.00 571 D 8.03 4.45 0.00 2.89 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 572 I 7.66 3.74 1.98 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.98 0.70 0.00 0.00 573 H 7.90 4.46 0.00 3.06 3.33 0.00 5.64 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 574 R 7.81 4.56 0.00 1.98 2.01 0.00 3.13 0.00 0.00 3.23 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.63 0.00 575 G 7.73 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 0.00 0.00 0.00 576 K 8.72 4.15 0.00 1.79 1.73 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.87 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.37 7.81 * Residues marked with a * may have inaccurate shift predictions.