NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 505 D 4.6535 8.3649 120.5415 53.8516 42.2111 175.4268 506 L 4.3715 7.4397 118.1326 53.7428 43.4074 174.0253 507 E 4.7127 8.4187 112.2408 56.0899 32.7750 175.9936 508 E 4.3029 8.2675 118.8828 57.8531 29.2728 178.0488 509 L 4.0765 7.8905 121.1296 57.5782 41.7407 178.1198 510 E 3.9803 8.1409 119.5668 58.9012 29.7613 178.0838 511 Q 4.0323 7.9874 119.1400 59.2490 29.1756 177.9517 512 F 4.6896 8.9635 123.0613 60.8371 39.3383 176.5832 513 A 4.1253 7.4722 116.7322 53.3588 18.3795 178.8118 514 K 4.1845 7.6442 118.4974 59.2313 32.4022 178.8069 515 T 4.0902 8.1799 110.0570 64.4100 68.8082 176.3772 516 F 4.2150 8.9962 123.9871 61.1202 39.5430 176.8987 517 K 4.0863 8.2456 119.8991 59.1096 31.9694 177.9774 518 Q 3.9743 7.9164 118.6970 59.6854 29.1190 179.1405 519 R 4.1829 8.7373 119.2920 59.0296 30.3524 179.0156 520 R 4.2797 8.0143 115.2940 58.6890 29.3491 178.8573 521 I 3.9580 7.8791 123.5672 64.7592 37.1078 178.7794 522 K 4.1776 7.7856 122.7749 58.9077 31.5868 180.2071 523 L 4.7431 8.0184 115.5375 55.0785 42.2697 176.9767 524 G 3.7249 8.0380 106.4955 46.0680 0.0000 172.9356 525 F 4.8821 8.0906 117.8949 55.2644 41.3367 177.9573 526 T 4.3729 8.2269 116.6842 61.8769 69.2857 174.2369 527 Q 4.5168 8.6917 115.4220 56.4218 31.4949 178.0223 528 G 3.5992 8.1670 107.3780 48.3547 0.0000 175.6565 529 D 4.3935 8.1946 121.2194 56.1340 39.1863 178.7629 530 V 3.3066 7.7949 119.2094 65.4594 31.2473 178.0929 531 G 4.1491 7.6883 106.6798 47.3083 0.0000 175.7382 532 L 4.2084 7.9220 120.9769 57.3503 41.3487 179.3053 533 A 4.1506 7.8182 120.4761 55.2409 18.1843 179.1436 534 M 4.4154 7.9100 115.9704 57.1319 32.1286 177.9240 535 G 4.1907 7.5824 107.2222 44.0566 0.0000 174.5560 536 K 4.7148 7.5659 118.8287 54.0611 34.1079 181.7167 537 L 4.7814 7.7551 116.8011 56.2998 45.5332 174.0973 538 Y 4.7420 8.2598 121.8891 58.3376 45.2610 175.7750 *540 N 4.3447 9.1947 124.8665 53.9648 40.5279 171.4563 541 D 4.7406 7.8329 119.0144 53.4001 43.0329 176.0323 542 F 5.4646 8.3617 120.3920 55.5325 42.5411 175.0842 543 S 4.5544 8.9186 118.7290 58.0051 63.9779 175.0368 544 Q 4.1635 8.8776 120.0275 60.2721 28.4874 177.2360 545 T 3.8087 7.7285 114.7427 67.6939 68.4016 175.9311 546 T 3.8462 7.7761 111.6781 65.0841 68.4046 176.6062 547 I 3.6845 7.5101 122.4390 64.1882 37.1222 178.2961 548 S 4.6606 8.4247 115.8296 60.9318 62.2042 176.3291 549 R 3.9130 8.0896 120.8314 59.3104 29.5879 178.8078 550 F 3.8652 8.0470 119.2897 61.2125 39.6368 176.6421 551 E 4.1945 8.2162 116.8548 58.1612 29.2108 177.9196 552 A 4.4661 7.7681 118.6952 51.2909 19.3983 177.4765 553 L 3.5222 7.8191 116.6891 55.6067 39.5274 175.1725 554 N 4.8156 8.1074 113.5264 53.4134 38.4196 174.6646 555 L 4.6514 7.0229 117.5057 52.5237 43.7863 177.0809 556 S 4.3049 8.4056 117.1602 58.4723 64.5661 175.4357 557 F 4.3913 8.8359 125.1642 62.0977 39.1871 177.3123 558 K 3.6024 8.1356 122.6148 59.9570 31.2073 179.9124 559 N 4.3534 8.0904 118.0772 57.0257 38.6190 176.6319 560 M 4.0821 8.2021 119.3415 58.8325 32.0481 177.9739 561 C 4.1296 7.7574 116.2231 62.2283 28.2513 175.6384 562 K 4.0418 7.7634 120.8148 59.5441 32.1470 178.6577 563 L 4.0956 7.7492 118.5567 56.5587 41.5124 178.9065 564 K 4.2792 7.7534 120.6938 59.3849 32.0855 176.7185 565 P 4.5436 0.0000 0.0000 65.3605 31.2017 178.1991 566 L 4.0703 7.7258 119.8028 57.0217 41.6752 179.4584 567 L 4.2334 8.4099 119.2286 57.6797 41.0880 179.3674 568 E 4.3439 8.6030 118.7936 59.5175 29.5739 179.3273 569 K 4.0810 8.4591 119.6002 59.1514 32.4035 178.6382 570 W 3.8921 8.2970 128.6048 60.2647 30.4631 177.6270 571 L 3.8151 8.1657 118.7837 58.3442 41.7836 178.3095 572 N 4.5260 8.2099 113.2719 54.6864 38.6404 176.6286 573 D 4.5265 7.3639 120.1712 55.9823 41.9441 177.0560 574 A 3.9020 6.7278 122.2325 52.4618 16.8994 176.7679 575 E 3.9687 8.0640 119.0539 57.5894 30.8501 177.2315 *602 R 3.9965 7.4487 114.8567 55.5358 30.4264 173.2398 603 K 3.7488 8.6966 119.8949 56.6188 31.5580 176.7117 604 K 3.7603 8.5647 124.9568 56.5127 32.4753 177.0955 605 R 3.8667 8.4520 122.3552 56.4612 29.4518 176.4609 606 T 4.0623 8.3164 117.0432 60.9370 68.5955 174.7673 607 S 4.2076 8.5265 123.8110 58.3575 63.1857 174.7460 608 I 3.9872 8.2340 126.4642 61.1518 37.8538 175.3126 609 E 4.6124 8.3192 122.4648 54.9577 31.3430 177.1506 610 T 3.8817 8.7108 113.1681 65.5309 68.5695 176.1158 611 N 4.4176 8.2456 121.5124 55.6165 37.4485 177.8523 612 I 3.8284 7.8955 123.4458 64.7804 35.7514 182.6484 613 R 3.9612 7.8028 117.9215 59.1883 29.2846 179.1667 614 V 3.6291 7.5437 112.9142 63.9814 31.0357 178.3434 615 A 3.9727 7.5326 119.3145 55.0964 18.1152 179.7677 616 L 3.6581 7.5716 118.6908 57.2764 41.4871 179.3724 617 E 4.2848 8.8440 121.3381 60.0486 29.1830 179.9745 618 K 3.9547 7.8506 122.8025 60.2130 32.0407 180.8101 619 S 4.8704 7.7701 116.2257 60.4680 62.9629 176.2697 620 F 4.0608 8.6340 125.1356 61.2432 39.2641 176.7372 621 L 4.1926 8.3615 118.0394 55.9884 41.7559 178.0081 622 E 4.0763 8.0479 121.1458 58.1312 29.8897 176.1129 623 N 4.2388 7.2656 113.7336 53.3843 42.4824 173.7411 624 Q 4.7673 8.9542 124.2590 56.2760 29.2691 175.7277 625 K 4.2756 8.0788 119.9001 53.2143 34.4712 180.4723 *627 T 4.1417 8.1502 120.1517 62.0483 69.5437 174.9718 628 S 4.1908 8.5934 118.7596 61.5741 62.5509 175.7542 629 E 4.0639 8.1595 115.5530 58.4880 29.3850 181.9622 630 E 4.3687 8.4695 121.3916 56.4776 31.3244 177.5028 631 I 3.4991 8.4457 114.6758 60.8781 33.7225 170.8233 632 T 4.4535 7.5139 108.7840 64.5338 70.2331 176.7249 633 M 4.1247 8.0690 120.3551 57.6387 32.6274 177.6581 634 I 3.9463 7.8866 118.9015 63.8455 38.0708 177.8347 635 A 4.0412 7.5766 120.8849 55.3778 17.8405 179.3217 636 D 4.3284 8.2063 116.0883 57.0341 40.9966 178.0431 637 Q 3.9581 7.3593 118.5444 58.7560 27.8583 177.5676 638 L 4.4008 7.8023 117.5971 53.6985 42.1647 177.1514 639 N 4.4624 7.4837 114.2870 54.3825 36.1679 175.1873 640 M 4.0071 6.9579 118.2386 55.6709 31.9793 177.6496 641 E 4.6178 7.6687 122.5865 55.1564 33.6937 175.7329 642 K 4.2486 8.4207 119.9238 58.7493 32.6701 178.1291 643 E 4.0634 8.0169 117.6792 59.3337 29.7489 178.9914 644 V 3.7633 7.9114 119.5419 64.0800 31.1808 178.1206 645 I 3.9797 7.6944 120.5828 64.0537 37.5049 178.0638 646 R 4.1592 7.7038 116.2125 59.0619 29.0874 179.1317 647 V 3.6005 7.9024 119.0818 65.6647 31.6459 177.3977 648 W 4.2454 8.0571 128.0273 60.6759 30.3995 177.5511 649 F 4.1602 8.6709 119.7132 61.8230 38.9304 176.8419 650 C 4.2491 8.2483 116.0569 62.8046 28.1317 175.2213 651 N 4.5736 8.6501 116.4629 54.1891 38.3926 176.6029 652 R 3.7308 7.3897 120.3821 57.5535 30.1797 178.0533 653 R 4.1607 8.1586 118.9467 59.4218 29.9791 178.2346 654 Q 3.9364 8.0280 118.2405 58.7450 29.2431 177.6261 655 K 4.0470 7.4959 119.6504 58.9856 32.3108 178.2764 656 E 4.0676 8.2106 119.7146 59.0843 29.2877 178.4040 657 K 4.3474 7.4960 116.2679 57.8277 32.2201 178.2147 658 R 4.3821 7.9592 118.2791 57.8207 31.2180 178.1579 659 I 3.9131 7.6303 118.2510 62.4145 37.7851 175.6589 660 N 4.8880 7.4315 118.1076 52.4804 41.4500 172.9420 661 P 4.4828 0.0000 0.0000 62.6702 30.7649 174.3821 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 505 D 8.36 4.65 0.00 2.72 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 0.00 506 L 7.44 4.37 0.00 1.74 1.63 0.94 0.60 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 0.00 507 E 8.42 4.71 0.00 2.09 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 0.00 2.27 2.34 0.00 508 E 8.27 4.30 0.00 2.09 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 0.00 2.43 2.40 0.00 509 L 7.89 4.08 0.00 1.85 1.70 0.99 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 510 E 8.14 3.98 0.00 2.08 2.10 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 2.29 2.28 0.00 511 Q 7.99 4.03 0.00 2.26 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.69 0.00 0.00 0.00 0.00 0.00 2.49 2.58 0.00 512 F 8.96 4.69 0.00 3.16 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 0.00 513 A 7.47 4.13 0.99 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 0.00 0.00 514 K 7.64 4.18 0.00 2.00 2.05 0.00 1.56 0.00 0.00 1.73 0.00 0.00 3.11 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.54 7.81 515 T 8.18 4.09 4.40 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 1.38 0.00 0.00 516 F 9.00 4.21 0.00 2.93 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 0.00 517 K 8.25 4.09 0.00 2.00 1.87 0.00 1.91 0.00 0.00 1.75 0.00 0.00 3.10 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.56 1.59 7.81 518 Q 7.92 3.97 0.00 2.38 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.76 0.00 0.00 0.00 0.00 0.00 2.43 2.49 0.00 519 R 8.74 4.18 0.00 1.93 1.99 0.00 3.28 0.00 0.00 3.45 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.81 0.00 520 R 8.01 4.28 0.00 2.06 2.00 0.00 2.92 0.00 0.00 2.97 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.72 0.00 521 I 7.88 3.96 2.07 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.18 0.94 0.00 0.00 522 K 7.79 4.18 0.00 1.83 1.73 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.39 1.35 7.81 523 L 8.02 4.74 0.00 2.11 2.42 1.02 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 524 G 8.04 3.72 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 0.00 525 F 8.09 4.88 0.00 3.08 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 0.00 526 T 8.23 4.37 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 1.28 0.00 0.00 527 Q 8.69 4.52 0.00 2.11 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.98 0.00 0.00 0.00 0.00 0.00 2.36 2.33 0.00 528 G 8.17 3.60 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 0.00 0.00 0.00 529 D 8.19 4.39 0.00 3.11 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 0.00 530 V 7.79 3.31 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 0.31 0.00 0.00 0.47 0.00 0.00 531 G 7.69 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 0.00 0.00 0.00 532 L 7.92 4.21 0.00 1.94 1.75 0.95 1.01 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 0.00 533 A 7.82 4.15 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 0.00 534 M 7.91 4.42 0.00 1.95 2.23 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.89 0.00 535 G 7.58 4.19 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 0.00 0.00 0.00 536 K 7.57 4.71 0.00 1.71 1.61 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.90 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.28 1.22 7.81 537 L 7.76 4.78 0.00 1.77 1.52 0.89 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 538 Y 8.26 4.74 0.00 3.16 2.33 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 0.00 *540 N 9.19 4.34 0.00 2.52 2.33 0.00 0.00 6.87 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 0.00 541 D 7.83 4.74 0.00 2.56 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 0.00 542 F 8.36 5.46 0.00 2.83 2.75 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 0.00 543 S 8.92 4.55 0.00 3.92 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 0.00 544 Q 8.88 4.16 0.00 2.11 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.84 0.00 0.00 0.00 0.00 0.00 2.44 2.42 0.00 545 T 7.73 3.81 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 1.20 0.00 0.00 546 T 7.78 3.85 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 1.02 0.00 0.00 547 I 7.51 3.68 1.99 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.43 0.92 0.00 0.00 548 S 8.42 4.66 0.00 4.02 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 0.00 549 R 8.09 3.91 0.00 2.03 1.94 0.00 3.15 0.00 0.00 3.06 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.74 0.00 550 F 8.05 3.87 0.00 2.98 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 0.00 551 E 8.22 4.19 0.00 2.27 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 2.58 2.71 0.00 552 A 7.77 4.47 1.29 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 0.00 0.00 553 L 7.82 3.52 0.00 1.87 1.73 0.87 0.47 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 0.00 554 N 8.11 4.82 0.00 2.68 2.80 0.00 0.00 6.98 7.85 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 0.00 555 L 7.02 4.65 0.00 1.58 1.52 0.92 0.79 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 0.00 556 S 8.41 4.30 0.00 4.07 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 0.00 557 F 8.84 4.39 0.00 3.06 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 0.00 558 K 8.14 3.60 0.00 1.80 1.82 0.00 1.87 0.00 0.00 1.74 0.00 0.00 2.83 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.45 1.09 7.81 559 N 8.09 4.35 0.00 2.75 2.81 0.00 0.00 6.97 7.23 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 0.00 560 M 8.20 4.08 0.00 2.03 1.99 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.24 0.00 561 C 7.76 4.13 0.00 2.81 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 0.00 562 K 7.76 4.04 0.00 1.71 1.98 0.00 1.79 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.45 7.81 563 L 7.75 4.10 0.00 1.78 1.35 0.86 0.58 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 0.00 564 K 7.75 4.28 0.00 2.18 2.10 0.00 1.71 0.00 0.00 1.73 0.00 0.00 3.09 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.74 1.98 7.81 565 P 0.00 4.54 0.00 2.31 2.30 0.00 3.95 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.90 0.00 566 L 7.73 4.07 0.00 1.84 1.72 0.52 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 567 L 8.41 4.23 0.00 1.28 0.75 -1.04 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 568 E 8.60 4.34 0.00 2.30 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 1.81 2.05 0.00 569 K 8.46 4.08 0.00 2.13 2.16 0.00 1.53 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.35 1.34 7.81 570 W 8.30 3.89 0.00 3.49 3.48 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 0.00 571 L 8.17 3.82 0.00 2.06 2.19 0.93 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 572 N 8.21 4.53 0.00 2.79 2.82 0.00 0.00 7.15 8.67 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 0.00 573 D 7.36 4.53 0.00 2.58 2.34 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 0.00 574 A 6.73 3.90 0.69 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 0.00 0.00 0.00 0.00 0.00 575 E 8.06 3.97 0.00 2.01 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 2.19 2.50 0.00 *602 R 7.45 4.00 0.00 1.96 2.07 0.00 3.14 0.00 0.00 3.18 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.70 0.00 603 K 8.70 3.75 0.00 1.74 1.87 0.00 1.82 0.00 0.00 1.72 0.00 0.00 3.26 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.51 7.81 604 K 8.56 3.76 0.00 1.77 1.78 0.00 1.86 0.00 0.00 1.64 0.00 0.00 3.06 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.47 1.54 7.81 605 R 8.45 3.87 0.00 1.79 1.90 0.00 3.25 0.00 0.00 3.29 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 606 T 8.32 4.06 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 1.29 0.00 0.00 607 S 8.53 4.21 0.00 3.89 3.87 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 0.00 608 I 8.23 3.99 1.90 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.80 0.83 0.00 0.00 609 E 8.32 4.61 0.00 1.96 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 2.31 2.21 0.00 610 T 8.71 3.88 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 1.21 0.00 0.00 611 N 8.25 4.42 0.00 2.91 3.10 0.00 0.00 6.34 7.68 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 0.00 612 I 7.90 3.83 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.70 0.91 0.00 0.00 613 R 7.80 3.96 0.00 2.09 2.22 0.00 2.96 0.00 0.00 3.35 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.73 0.00 614 V 7.54 3.63 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 0.85 0.00 0.00 0.98 0.00 0.00 615 A 7.53 3.97 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 0.00 616 L 7.57 3.66 0.00 1.20 0.13 -0.31 -0.02 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 0.00 617 E 8.84 4.28 0.00 2.29 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 2.40 2.49 0.00 618 K 7.85 3.95 0.00 1.87 1.75 0.00 1.81 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.40 1.34 7.81 619 S 7.77 4.87 0.00 4.17 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 0.00 620 F 8.63 4.06 0.00 3.36 3.41 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 0.00 621 L 8.36 4.19 0.00 1.75 1.75 1.03 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 622 E 8.05 4.08 0.00 2.25 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 0.00 2.33 2.27 0.00 623 N 7.27 4.24 0.00 2.71 2.69 0.00 0.00 7.13 7.05 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 0.00 624 Q 8.95 4.77 0.00 2.09 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.89 6.51 0.00 0.00 0.00 0.00 0.00 2.01 2.21 0.00 625 K 8.08 4.28 0.00 1.78 1.59 0.00 1.84 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.27 1.24 7.81 *627 T 8.15 4.14 4.39 0.00 0.00 0.00 0.00 0.00 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 0.00 628 S 8.59 4.19 0.00 3.81 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 0.00 629 E 8.16 4.06 0.00 2.03 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 0.00 630 E 8.47 4.37 0.00 2.17 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 2.29 2.29 0.00 631 I 8.45 3.50 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.61 0.91 0.00 0.00 632 T 7.51 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 1.29 0.00 0.00 633 M 8.07 4.12 0.00 2.04 2.19 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.57 0.00 634 I 7.89 3.95 1.92 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.90 0.91 0.00 0.00 635 A 7.58 4.04 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.21 4.33 0.00 2.82 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 0.00 637 Q 7.36 3.96 0.00 2.26 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.53 0.00 0.00 0.00 0.00 0.00 2.36 2.44 0.00 638 L 7.80 4.40 0.00 1.69 1.62 0.91 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 639 N 7.48 4.46 0.00 2.88 2.93 0.00 0.00 6.99 7.32 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 0.00 640 M 6.96 4.01 0.00 2.08 1.88 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.56 0.00 641 E 7.67 4.62 0.00 1.87 1.80 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 2.14 2.23 0.00 642 K 8.42 4.25 0.00 1.91 1.78 0.00 1.67 0.00 0.00 1.88 0.00 0.00 3.17 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.47 1.56 7.81 643 E 8.02 4.06 0.00 2.31 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 0.00 2.45 2.50 0.00 644 V 7.91 3.76 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 0.90 0.00 0.00 0.98 0.00 0.00 645 I 7.69 3.98 2.02 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.72 1.06 0.00 0.00 646 R 7.70 4.16 0.00 2.22 2.25 0.00 2.81 0.00 0.00 3.12 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.82 0.00 647 V 7.90 3.60 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 1.10 0.00 0.00 1.08 0.00 0.00 648 W 8.06 4.25 0.00 3.42 3.34 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 0.00 649 F 8.67 4.16 0.00 3.68 3.22 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 0.00 650 C 8.25 4.25 0.00 3.38 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 0.00 651 N 8.65 4.57 0.00 2.58 2.72 0.00 0.00 6.58 7.24 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 0.00 652 R 7.39 3.73 0.00 0.73 0.72 0.00 2.39 0.00 0.00 2.25 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 653 R 8.16 4.16 0.00 2.41 2.15 0.00 3.23 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.78 0.00 654 Q 8.03 3.94 0.00 2.27 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.78 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 655 K 7.50 4.05 0.00 1.93 1.65 0.00 1.52 0.00 0.00 1.30 0.00 0.00 2.77 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.31 1.34 7.81 656 E 8.21 4.07 0.00 2.46 2.15 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 2.38 2.45 0.00 657 K 7.50 4.35 0.00 1.82 1.85 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.65 7.81 658 R 7.96 4.38 0.00 1.82 1.94 0.00 3.13 0.00 0.00 3.20 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.79 0.00 659 I 7.63 3.91 1.85 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.32 0.91 0.00 0.00 660 N 7.43 4.89 0.00 2.64 2.80 0.00 0.00 7.30 7.90 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 0.00 661 P 0.00 4.48 0.00 2.23 1.82 0.00 3.83 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 1.85 1.56 0.00 * Residues marked with a * may have inaccurate shift predictions.