NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *504 H 4.5601 8.4449 117.3544 54.8583 29.8650 173.1268 505 H 4.5467 7.9017 115.7044 54.4889 29.2772 173.7312 506 H 4.3257 8.6176 117.9136 55.3809 28.6401 173.5833 507 H 4.6020 8.4532 122.7321 55.1117 29.3886 175.0146 508 H 4.8704 8.5563 120.9759 53.8783 31.4483 171.8151 509 G 3.8314 8.2762 105.4516 44.8295 0.0000 174.1215 510 S 4.7879 8.6154 113.0366 57.9284 64.0709 176.1394 511 F 4.3440 8.7458 124.5101 61.8756 38.7914 176.7337 512 I 3.5739 7.9814 118.4851 64.7107 36.9055 177.8623 513 D 4.3606 8.1333 118.9421 57.2949 40.6309 178.7505 514 R 3.8056 7.9232 119.0827 59.5076 30.0430 178.7973 515 V 3.7294 7.8598 118.0432 65.7999 31.4825 178.0093 516 K 3.9185 8.4145 118.3812 59.4523 31.7397 178.7402 517 A 3.9838 7.8573 119.5739 55.3571 18.3171 179.1656 518 L 4.1001 7.7020 116.9348 58.4925 42.6316 178.8979 519 L 4.1489 8.4631 119.1862 55.4585 41.8139 178.2166 520 G 3.7779 8.8305 107.6124 47.1101 0.0000 173.9828 521 E 4.4974 8.5892 123.0569 56.0841 29.6438 178.1860 522 R 3.7815 7.7212 119.1355 58.3835 30.3171 176.8318 523 V 4.5448 6.9605 116.2077 60.5744 34.5561 175.3315 524 K 4.0841 9.3493 126.5433 58.6745 32.4935 176.2333 525 D 4.5305 7.0941 116.4886 53.8684 44.3535 174.8931 526 V 5.0840 8.5200 121.6904 61.3953 34.3526 174.6089 527 R 4.7728 8.9492 124.4037 54.8665 35.4166 173.8728 528 L 5.1708 8.5164 120.5742 53.3965 43.0553 176.2335 529 T 4.7629 8.3848 113.5613 59.9682 72.3077 173.8203 530 H 4.3307 8.9408 120.5432 55.7528 29.6452 174.5627 531 R 4.7360 8.0821 118.8334 54.7219 33.4601 175.7320 532 L 4.4445 8.4169 117.8512 55.0219 42.0544 176.1551 533 T 4.8083 7.4113 108.6884 60.1837 71.5104 173.0259 534 D 4.8854 8.4378 119.3244 54.9021 41.3139 176.6358 535 T 4.3058 7.8288 116.8644 61.9493 69.3116 173.3020 536 P 4.3507 0.0000 0.0000 65.7987 32.2858 175.9707 537 A 5.0066 7.4983 118.2571 50.8130 22.1365 175.1338 538 I 4.8831 8.4433 113.0540 59.1923 41.8583 174.1675 539 V 5.1718 8.2081 120.5676 60.3850 34.5094 174.7537 540 S 4.9348 8.8298 115.9702 58.0047 66.8822 172.4327 541 T 5.0167 8.2485 108.5654 60.3228 71.7845 173.8728 542 D 4.6362 8.6859 123.8282 52.8732 42.2685 175.5714 543 A 4.2295 8.3433 122.9983 53.5773 18.6084 176.4555 544 D 4.6391 8.7035 116.2240 55.3595 40.2600 174.4458 545 E 4.3939 7.8647 117.7094 56.6751 29.3578 178.9587 *547 S 4.2874 8.9628 123.8546 59.0237 64.6470 173.8367 548 T 4.1148 8.5090 115.3418 67.3644 68.2795 178.5120 549 Q 4.2189 7.9694 119.2372 55.9691 28.3213 178.2919 *551 A 4.3959 8.2019 122.3988 52.3368 20.7499 180.1292 552 K 4.0332 7.8173 115.3876 59.3823 31.7834 179.3050 553 L 3.9289 7.9630 119.8240 58.0672 42.3139 178.3172 554 F 4.1642 8.3569 119.7943 61.4783 39.2126 176.6785 555 A 4.3515 8.6001 121.1468 54.7576 18.0540 179.4475 556 A 3.9894 8.3884 117.8537 54.7463 18.3631 178.5861 557 A 4.4744 7.7149 117.8076 51.6148 18.7743 177.4457 558 G 3.8531 8.2325 106.4555 47.4158 0.0000 174.1439 559 Q 4.7675 8.0055 117.3827 53.4036 31.5396 174.5867 560 K 4.5779 8.3725 118.7752 55.1547 34.4104 176.0703 561 V 4.2467 7.7772 115.6793 58.2194 35.5358 173.3525 562 P 4.3496 0.0000 0.0000 62.5481 31.6541 175.8789 563 E 3.9826 8.3933 119.2516 55.7639 29.9220 177.1870 564 V 3.1371 8.3143 122.5554 63.6802 31.5154 175.5928 565 K 4.3172 8.1999 126.9894 55.4521 32.1110 176.1497 566 Y 4.6042 8.4534 123.6572 57.6961 40.3376 174.3979 567 I 4.8064 8.6963 120.8452 59.7196 39.8289 175.2089 568 F 4.9407 9.3997 131.2408 57.7975 40.6226 174.1481 569 E 4.9064 9.0100 127.0066 54.6060 31.6222 175.1708 570 L 4.4023 8.3233 125.6912 53.6954 43.6929 176.6344 571 N 4.6291 9.2286 122.1655 50.8711 37.7752 173.3557 572 P 4.0076 0.0000 0.0000 65.4134 31.4678 177.4183 573 D 4.5452 7.8178 114.9679 55.1968 41.5229 176.6432 574 H 4.1877 8.3543 121.2663 55.3524 31.1207 175.1192 575 V 3.4251 8.1676 128.2004 66.5964 31.4000 178.1775 576 L 3.7325 7.9418 117.6595 57.5600 41.3132 179.5418 577 V 3.6091 7.5316 117.6940 65.3730 31.5153 178.1850 578 K 3.7035 7.7910 118.6262 59.1110 32.0672 179.0819 579 R 3.7007 8.1366 119.1653 59.3378 29.6210 178.4172 580 A 4.0049 7.3024 119.0671 55.1744 18.4909 179.2593 581 A 4.3272 7.2282 118.2552 55.1866 18.3713 179.1459 582 D 4.6233 7.9416 116.3385 55.6507 41.0806 177.0043 583 T 4.1199 7.3098 116.4103 63.7104 68.5138 174.1928 584 E 4.0997 8.8298 126.9228 58.5003 30.2467 177.0266 585 D 4.3969 8.1243 118.3431 54.3701 42.0196 176.4337 586 E 4.0373 9.0213 127.4605 59.2252 29.4506 179.3034 587 A 3.9861 8.0700 120.6101 55.1811 18.7253 179.5644 588 K 3.8893 8.5575 116.8949 59.7400 32.1030 178.8695 589 F 4.3497 8.8359 121.1555 61.7380 39.3042 176.8002 590 S 4.0920 8.7458 112.5142 61.6663 62.0877 176.4230 591 E 3.8429 8.0975 121.7206 58.9075 29.3615 178.7769 592 W 4.2695 8.0863 118.9315 59.8056 29.1015 178.4267 593 V 3.6547 7.8148 118.2068 66.4033 30.8936 177.8308 594 E 3.8943 8.2385 117.9746 59.2379 29.2383 179.2995 595 L 4.0849 7.9555 120.3583 58.1922 42.2160 179.0327 596 L 4.1561 8.3236 119.0633 57.7697 41.6503 179.1781 597 L 3.5845 8.2582 120.4801 58.3179 41.9493 178.8120 598 D 4.2044 8.0598 118.6398 57.3459 40.6554 178.8889 599 Q 3.8913 8.2281 118.4956 58.7790 28.7551 178.5523 600 A 3.9962 8.2578 121.9575 54.9472 18.3673 179.7599 601 L 3.5719 7.8131 117.4412 57.7043 41.6558 179.1352 602 L 3.7396 7.6303 119.9955 58.4188 41.7089 179.0851 603 A 3.9200 7.8120 118.7577 54.5976 18.2659 178.7844 604 E 4.0798 7.6897 117.1052 58.6057 30.3919 177.9427 605 R 4.4514 8.5957 116.2737 55.0564 30.6405 177.9378 606 G 4.0172 8.8185 106.7225 45.9182 0.0000 173.2519 607 T 4.5328 7.1659 110.4736 60.8363 70.5636 172.5337 608 L 4.8276 7.9642 124.9574 52.3829 45.1479 176.8521 609 E 4.0926 8.8247 119.7524 58.9229 30.1717 176.8440 610 D 4.7908 7.8888 118.2170 50.2248 41.2841 173.3185 611 P 4.3470 0.0000 0.0000 65.6340 31.8167 177.5959 612 N 4.3456 8.1751 114.4827 56.1147 38.4427 177.1050 613 L 3.9748 8.0723 121.4938 57.9271 41.9628 178.7599 614 F 4.2247 8.1640 119.1456 61.5077 39.5148 176.6307 615 I 3.5868 7.8572 118.2972 64.2340 37.1681 178.1257 616 R 3.9979 8.0225 119.5471 59.1995 29.7997 178.7469 617 R 3.5687 7.5882 115.1617 57.6450 30.1950 177.3973 *619 N 4.5674 8.0787 116.2634 53.1414 40.8887 176.8820 620 Q 3.9301 8.0839 116.9355 59.0649 28.6800 178.7906 621 L 3.7814 7.9160 120.0659 57.5487 41.2784 179.5232 622 L 4.0581 7.2220 117.3096 56.8292 41.6199 178.5745 623 V 4.0502 7.4226 116.6701 63.3096 31.8988 175.6658 624 S 4.2824 7.4932 117.7337 58.9113 62.7620 173.9038 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 *504 H 8.44 4.56 0.00 2.95 3.01 0.00 7.13 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 505 H 7.90 4.55 0.00 3.10 3.21 0.00 5.67 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 506 H 8.62 4.33 0.00 3.06 3.31 0.00 5.71 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 507 H 8.45 4.60 0.00 3.19 3.27 0.00 5.66 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 508 H 8.56 4.87 0.00 3.13 3.18 0.00 5.68 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 509 G 8.28 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 510 S 8.62 4.79 0.00 3.89 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 0.00 511 F 8.75 4.34 0.00 3.09 3.17 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 0.00 512 I 7.98 3.57 1.91 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 1.68 0.67 0.92 0.00 0.00 513 D 8.13 4.36 0.00 2.86 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 0.00 514 R 7.92 3.81 0.00 2.00 2.03 0.00 2.85 0.00 0.00 2.63 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 1.38 0.00 515 V 7.86 3.73 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 1.15 0.00 0.00 0.40 0.00 0.00 516 K 8.41 3.92 0.00 2.00 1.86 0.00 1.76 0.00 0.00 1.67 0.00 0.00 3.12 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.70 7.81 517 A 7.86 3.98 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 518 L 7.70 4.10 0.00 1.84 2.01 1.01 1.21 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 0.00 519 L 8.46 4.15 0.00 1.73 1.66 0.83 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 520 G 8.83 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 521 E 8.59 4.50 0.00 2.15 2.17 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 2.30 2.31 0.00 522 R 7.72 3.78 0.00 1.88 1.99 0.00 3.08 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 523 V 6.96 4.54 2.11 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 0.99 0.00 0.00 0.85 0.00 0.00 524 K 9.35 4.08 0.00 1.85 1.99 0.00 1.91 0.00 0.00 1.64 0.00 0.00 2.82 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.46 1.37 7.81 525 D 7.09 4.53 0.00 2.83 2.48 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 0.00 0.00 0.00 0.00 526 V 8.52 5.08 2.11 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 0.87 0.00 0.00 1.04 0.00 0.00 527 R 8.95 4.77 0.00 1.74 1.74 0.00 3.15 0.00 0.00 3.18 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 528 L 8.52 5.17 0.00 1.52 1.57 1.03 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 529 T 8.38 4.76 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 1.26 0.00 0.00 530 H 8.94 4.33 0.00 3.12 3.27 0.00 5.83 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 531 R 8.08 4.74 0.00 1.74 1.79 0.00 3.34 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.67 0.00 532 L 8.42 4.44 0.00 1.63 1.69 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 533 T 7.41 4.81 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 0.00 534 D 8.44 4.89 0.00 2.69 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 535 T 7.83 4.31 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 1.24 0.00 0.00 536 P 0.00 4.35 0.00 2.01 1.88 0.00 3.66 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.87 0.00 537 A 7.50 5.01 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 538 I 8.44 4.88 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 1.26 0.76 0.90 0.00 0.00 539 V 8.21 5.17 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 0.13 0.00 0.00 0.92 0.00 0.00 540 S 8.83 4.93 0.00 3.96 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 0.00 541 T 8.25 5.02 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 1.11 0.00 0.00 542 D 8.69 4.64 0.00 2.74 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 543 A 8.34 4.23 1.25 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 0.00 0.00 544 D 8.70 4.64 0.00 2.81 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 545 E 7.86 4.39 0.00 2.30 1.23 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 2.51 2.34 0.00 *547 S 8.96 4.29 0.00 4.04 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 0.00 548 T 8.51 4.11 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 1.31 0.00 0.00 549 Q 7.97 4.22 0.00 2.14 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.49 0.00 0.00 0.00 0.00 0.00 2.48 2.39 0.00 *551 A 8.20 4.40 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 552 K 7.82 4.03 0.00 1.92 1.90 0.00 1.71 0.00 0.00 1.60 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.65 7.81 553 L 7.96 3.93 0.00 1.79 1.65 0.87 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 554 F 8.36 4.16 0.00 3.28 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 0.00 555 A 8.60 4.35 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 0.00 556 A 8.39 3.99 1.41 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 0.00 0.00 557 A 7.71 4.47 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 0.00 558 G 8.23 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 0.00 559 Q 8.01 4.77 0.00 2.69 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.03 6.81 0.00 0.00 0.00 0.00 0.00 2.65 2.54 0.00 560 K 8.37 4.58 0.00 1.77 1.75 0.00 1.49 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.27 1.36 7.81 561 V 7.78 4.25 1.59 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 -0.80 0.00 0.00 0.58 0.00 0.00 562 P 0.00 4.35 0.00 2.10 1.98 0.00 3.53 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.90 0.00 563 E 8.39 3.98 0.00 1.96 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.26 0.00 564 V 8.31 3.14 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.81 0.00 0.00 565 K 8.20 4.32 0.00 1.61 1.76 0.00 1.95 0.00 0.00 1.69 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.37 7.81 566 Y 8.45 4.60 0.00 2.98 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 0.00 567 I 8.70 4.81 2.07 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.94 0.97 0.00 0.00 568 F 9.40 4.94 0.00 3.04 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 0.00 569 E 9.01 4.91 0.00 1.88 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 2.27 0.00 570 L 8.32 4.40 0.00 1.53 1.53 0.78 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 571 N 9.23 4.63 0.00 2.73 2.75 0.00 0.00 7.05 8.27 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 0.00 572 P 0.00 4.01 0.00 1.59 1.62 0.00 3.46 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 2.01 0.00 573 D 7.82 4.55 0.00 2.71 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 574 H 8.35 4.19 0.00 3.19 3.17 0.00 5.82 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 575 V 8.17 3.43 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 0.83 0.00 0.00 0.82 0.00 0.00 576 L 7.94 3.73 0.00 1.67 1.43 0.99 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 577 V 7.53 3.61 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 0.98 0.00 0.00 0.95 0.00 0.00 578 K 7.79 3.70 0.00 1.89 1.69 0.00 1.64 0.00 0.00 1.49 0.00 0.00 2.84 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.31 1.28 7.81 579 R 8.14 3.70 0.00 1.58 1.45 0.00 2.21 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.49 0.00 580 A 7.30 4.00 1.41 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 0.00 0.00 581 A 7.23 4.33 0.65 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 0.00 582 D 7.94 4.62 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 0.00 583 T 7.31 4.12 4.75 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 1.53 0.00 0.00 584 E 8.83 4.10 0.00 1.99 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 2.31 2.44 0.00 585 D 8.12 4.40 0.00 2.85 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 0.00 586 E 9.02 4.04 0.00 2.04 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 2.37 2.31 0.00 587 A 8.07 3.99 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 0.00 588 K 8.56 3.89 0.00 1.98 2.04 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.70 7.81 589 F 8.84 4.35 0.00 3.29 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 0.00 590 S 8.75 4.09 0.00 4.21 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 0.00 591 E 8.10 3.84 0.00 2.23 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.14 0.00 592 W 8.09 4.27 0.00 3.55 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 0.00 593 V 7.81 3.65 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 1.14 0.00 0.00 0.27 0.00 0.00 594 E 8.24 3.89 0.00 2.19 1.99 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 2.53 2.46 0.00 595 L 7.96 4.08 0.00 1.85 2.03 0.82 0.92 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 0.00 596 L 8.32 4.16 0.00 2.17 1.93 1.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 597 L 8.26 3.58 0.00 0.86 1.38 0.05 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 598 D 8.06 4.20 0.00 3.23 2.37 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 0.00 599 Q 8.23 3.89 0.00 2.38 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.73 2.98 0.00 600 A 8.26 4.00 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 0.00 601 L 7.81 3.57 0.00 1.51 1.54 0.77 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 602 L 7.63 3.74 0.00 1.46 1.60 0.80 0.80 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 0.00 603 A 7.81 3.92 1.32 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 0.00 0.00 604 E 7.69 4.08 0.00 1.90 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 2.02 2.34 0.00 605 R 8.60 4.45 0.00 1.95 1.94 0.00 3.27 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 606 G 8.82 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 0.00 0.00 0.00 607 T 7.17 4.53 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 1.27 0.00 0.00 608 L 7.96 4.83 0.00 1.53 1.40 0.32 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 609 E 8.82 4.09 0.00 2.04 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 0.00 2.25 2.33 0.00 610 D 7.89 4.79 0.00 2.68 2.53 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 0.00 0.00 0.00 0.00 611 P 0.00 4.35 0.00 2.23 2.14 0.00 3.67 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.32 0.00 612 N 8.18 4.35 0.00 2.74 2.88 0.00 0.00 6.74 6.74 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 0.00 613 L 8.07 3.97 0.00 1.91 1.88 0.92 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 614 F 8.16 4.22 0.00 3.13 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 0.00 615 I 7.86 3.59 2.00 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 1.44 1.00 0.87 0.00 0.00 616 R 8.02 4.00 0.00 2.01 1.87 0.00 3.07 0.00 0.00 3.06 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 617 R 7.59 3.57 0.00 2.03 1.90 0.00 3.25 0.00 0.00 3.34 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00 *619 N 8.08 4.57 0.00 2.99 2.82 0.00 0.00 7.05 7.74 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 0.00 620 Q 8.08 3.93 0.00 2.11 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.79 0.00 0.00 0.00 0.00 0.00 2.31 2.47 0.00 621 L 7.92 3.78 0.00 1.37 1.20 0.21 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 622 L 7.22 4.06 0.00 1.87 1.71 0.88 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 623 V 7.42 4.05 2.26 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 0.84 0.00 0.00 0.94 0.00 0.00 624 S 7.49 4.28 0.00 3.98 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.