NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 530 S 4.3939 8.1814 116.7948 57.8951 64.1827 173.3597 531 G 3.8123 8.2601 106.7344 46.8778 0.0000 173.2411 532 P 4.7741 0.0000 0.0000 64.6461 31.8763 177.1095 533 I 3.7178 7.6925 119.1603 63.9478 37.0368 177.8841 534 L 3.9319 8.7323 122.2685 58.2181 41.7937 178.8072 535 E 4.1211 8.1247 118.4664 59.4903 29.4185 179.2065 536 L 3.9882 8.0035 120.2825 57.9738 42.1237 179.1447 537 K 3.9854 8.2961 118.8640 59.5411 31.7634 179.1862 538 E 4.1115 8.1911 117.9495 59.2647 29.3801 179.2616 539 K 4.1442 7.6254 117.8716 59.0935 32.3253 178.8675 540 I 4.0450 7.7869 119.5996 63.1572 37.2686 177.6319 541 Q 3.9363 8.4312 121.2870 59.0430 28.8296 177.2838 542 P 4.2337 0.0000 0.0000 65.6026 31.5435 178.4318 543 E 4.0260 8.1099 115.8724 59.3392 29.5725 179.1422 544 I 3.7229 7.5907 120.7552 64.2264 37.2309 178.3537 545 L 4.0323 8.1673 119.8968 57.4957 41.3379 179.2901 546 E 3.9307 7.9707 119.2526 59.1861 29.5124 178.7935 547 L 4.0036 7.8403 118.8891 57.7759 41.5561 179.5986 548 I 3.6461 7.7920 119.8092 64.0768 37.0511 178.2759 549 K 3.8100 8.0390 120.4206 59.7414 32.0559 178.7274 550 Q 3.9695 8.0376 118.1849 59.0145 28.5816 178.7925 551 Q 3.9190 8.2190 120.7193 59.1556 29.1114 178.4514 552 R 3.7550 8.1460 119.3642 59.2333 30.1083 179.0974 553 L 3.7783 7.8546 118.6830 57.7956 41.7083 179.2849 554 N 4.3290 8.1375 116.3978 56.3505 38.4282 177.7294 555 R 3.8982 7.7871 119.5424 59.0412 30.0770 178.9948 556 L 3.3576 7.4839 118.8120 57.6077 41.3215 179.6503 557 V 4.4683 7.4316 118.2430 65.7311 31.4777 177.6666 558 E 4.1238 7.8122 117.1136 56.5316 29.5208 178.5818 559 G 4.5116 8.0262 102.3814 45.9107 0.0000 172.2428 560 T 4.7710 8.7483 108.4159 59.9381 72.8624 172.0164 561 C 4.9430 8.3331 122.6786 58.0604 32.8686 172.7432 562 F 4.8867 9.1600 124.6192 55.6244 42.3291 174.3603 563 R 4.8691 8.5405 120.6258 54.2872 31.4733 175.6868 564 K 4.3181 8.8985 126.8433 56.6381 32.9643 176.5192 565 L 4.3635 8.4024 122.9126 55.6698 42.2147 176.3579 566 N 4.0394 8.5641 118.7670 54.1693 35.8483 174.1321 567 A 4.6011 7.6232 119.2567 51.2221 20.9027 177.4351 568 R 4.3802 10.4536 120.3772 57.0359 34.2475 174.7164 569 R 3.8266 9.3605 108.6591 59.3647 26.4815 175.3784 570 R 3.8541 7.9846 113.1511 56.6113 28.9733 176.9584 571 Q 4.3093 7.8331 116.4133 55.2573 29.5357 175.7616 572 D 4.5356 8.6267 122.1771 54.9513 41.4957 176.9460 573 K 4.1112 8.7902 122.5645 58.0951 33.4098 176.6021 574 F 5.6399 8.2833 118.1041 55.5490 42.8309 174.3221 575 W 5.9550 9.4000 118.0820 55.7536 32.3642 172.6141 576 Y 5.2577 9.2935 117.3112 55.7808 41.5847 173.6667 577 C 5.6280 9.0099 119.0025 58.2227 35.6321 172.7896 578 R 5.5332 9.7925 120.9144 55.0030 33.1802 173.4327 579 L 5.1028 8.8083 123.8668 53.7526 44.0052 176.0784 580 S 4.8172 9.4685 121.4093 57.8027 63.6142 173.6849 581 P 4.5625 0.0000 0.0000 65.1646 30.9850 176.5945 582 N 4.4947 8.0809 114.4742 52.8408 38.0860 174.8399 583 H 4.3192 8.7011 115.5410 56.9173 26.3699 175.5461 584 K 4.5729 8.3372 119.8490 56.6908 34.8773 176.3047 585 V 4.5499 8.4779 119.0894 60.9522 35.8212 174.0836 586 L 5.2359 8.7079 125.5288 53.5774 43.9168 175.0717 587 H 5.5488 9.8593 122.1476 54.6609 30.9364 173.7936 588 Y 4.7839 8.3024 119.8833 55.1980 41.7769 173.8146 589 G 3.9412 7.5656 107.4643 46.1054 0.0000 171.8261 590 D 5.3978 8.0167 119.6229 54.3273 42.3630 175.3938 591 L 5.3764 8.9851 119.5551 53.4088 46.4497 176.7257 592 E 4.5556 8.6078 119.5433 54.6066 31.2638 174.8938 593 E 4.4589 8.8149 125.4284 55.5029 28.1186 175.3157 594 S 4.8539 8.5528 122.0775 55.5085 66.9602 173.9017 595 P 4.5266 0.0000 0.0000 65.9181 31.2585 178.6577 596 Q 4.2227 7.6272 115.9313 58.1834 30.1099 175.8290 597 G 3.8526 7.1802 110.7859 44.6287 0.0000 175.0488 598 E 5.8612 8.1727 112.1079 56.4347 29.5453 174.6954 599 V 3.8228 7.6396 117.6097 61.6663 33.2914 174.2793 600 P 5.0126 0.0000 0.0000 62.1002 32.5275 175.0082 601 H 4.9390 8.4486 120.0811 53.5430 30.0549 173.5837 602 D 4.5969 8.9557 123.1216 54.3313 41.5218 175.8305 603 S 4.9435 7.8532 116.6113 56.6883 65.9396 173.9342 604 L 3.9436 8.5313 119.9702 58.4946 41.2980 177.8727 605 Q 4.0577 7.8599 122.0839 56.1758 28.8352 174.2589 606 D 4.4509 8.5135 124.8666 53.9931 44.3830 175.0395 607 K 5.2111 7.8306 115.0118 54.8055 37.0024 176.4263 608 L 4.1801 8.6040 123.1776 53.4534 44.1167 172.9486 609 P 4.7161 0.0000 0.0000 62.1879 32.3623 178.0704 610 V 3.5359 9.5848 124.0371 66.1062 31.5680 178.1210 611 A 3.5205 8.0847 120.5722 54.8643 18.4580 177.5162 612 D 4.8136 7.8570 114.4142 54.1547 41.3330 176.1385 613 I 4.4036 8.4145 122.8062 61.0814 37.6192 175.5532 614 K 4.5304 8.5965 125.8815 57.1688 33.8890 175.4496 615 A 4.4806 7.3854 118.9824 51.4136 22.4886 175.1244 616 V 4.9396 8.4924 118.4214 61.3860 34.1833 175.1232 617 V 4.8297 9.0001 120.7902 59.8562 35.4885 174.5786 618 T 5.1001 8.0136 111.2686 60.0851 72.7058 174.6376 619 G 3.7561 9.0774 110.3938 46.4112 0.0000 176.7085 620 K 4.1822 8.7892 121.2197 58.8749 32.1246 177.5178 621 D 4.5490 7.7536 117.3721 55.9556 41.0854 176.4644 622 C 4.4593 8.2112 118.9191 58.4480 28.6701 171.8843 623 P 4.4091 0.0000 0.0000 65.9921 31.2789 176.6837 624 H 4.5212 7.9437 115.1861 54.8485 30.3921 172.1941 *634 N 4.6676 8.2519 115.2306 53.7616 39.6720 172.9992 635 K 4.5052 8.2758 114.7520 57.0728 34.6610 179.2098 636 E 4.0492 8.2869 117.1967 59.0476 29.4799 178.8979 637 V 3.8986 7.6975 111.9944 63.5281 31.8230 178.0595 638 L 3.9576 7.5896 118.5934 58.0954 41.3360 179.4113 639 E 3.9461 8.1198 115.7605 58.0638 29.6882 177.3185 640 L 4.6205 7.8712 117.4172 54.1702 43.6834 175.5820 641 A 5.3163 7.8529 122.5562 50.8825 20.8245 176.6838 642 F 5.5691 8.4492 115.8415 55.9622 41.8207 173.4605 643 S 5.3532 9.8184 116.7778 57.0545 67.3301 173.1724 644 I 4.7948 9.1122 125.0585 60.0948 38.6074 174.5498 645 L 5.1528 9.0788 129.0559 53.6449 43.3105 175.8440 646 Y 5.1593 8.5148 120.7856 55.3224 41.9997 175.6252 647 D 4.3344 8.8078 119.5233 54.8592 41.6220 174.4387 648 S 4.1043 8.8763 120.9985 60.5843 62.0075 174.2435 649 N 4.8761 8.5970 113.2319 52.5917 40.5680 173.1981 650 C 4.3260 7.1500 114.5900 59.4317 29.3257 172.7590 651 Q 5.0797 8.1437 118.9191 54.9384 31.4103 173.3140 652 L 4.3771 9.2736 125.6245 53.4827 43.9958 174.4666 653 N 5.0844 8.2306 123.9484 51.8174 40.1550 174.5652 654 F 4.7853 8.7908 120.6405 55.6900 43.4507 174.6129 655 I 4.9672 8.2004 119.9202 59.2422 38.3213 174.9101 656 A 4.6514 9.5831 130.3604 51.6518 18.8458 176.8435 657 P 4.5012 0.0000 0.0000 65.6078 31.8466 176.1562 658 D 4.6147 7.6248 117.2790 51.0174 43.5625 176.0784 659 K 3.9446 8.6223 120.1768 59.9685 31.9807 177.6942 660 H 4.0836 8.3973 117.8118 59.6985 29.7312 176.9484 661 E 4.1839 9.4168 120.4006 59.3452 29.1458 178.7603 662 Y 4.1774 8.2426 119.8473 60.9922 38.8272 178.0513 663 C 4.0729 8.3091 118.8995 62.2389 28.1909 176.0107 664 I 3.5320 7.8255 121.4018 64.2452 36.6907 178.6242 665 W 3.4919 8.2991 119.9277 59.6676 28.5649 178.7707 666 T 3.4671 7.3645 109.8759 64.7636 67.8961 176.2310 667 D 4.3571 8.1469 122.0590 56.7905 40.7966 178.9240 668 G 3.3420 7.9040 106.2612 47.6840 0.0000 175.6951 669 L 3.9161 8.0243 122.2557 57.4302 41.6487 179.2821 670 N 4.2298 7.9700 116.1007 56.2357 38.4947 176.9473 671 A 3.9126 8.0211 122.1366 55.4490 18.2260 179.4068 672 L 3.9591 7.6715 115.7037 58.0871 41.7753 179.1718 673 L 4.4484 7.9863 115.8794 54.0544 41.4461 177.0743 674 G 3.9622 8.1796 106.5098 46.4324 0.0000 174.0953 675 K 4.6936 8.1033 117.7698 53.9143 35.2701 178.4695 676 D 4.6064 8.1490 122.7454 54.0002 40.6568 176.6923 *679 S 4.3061 8.3720 118.9008 59.2692 65.5386 174.5444 680 D 4.4384 8.4345 121.5783 57.0380 40.5753 178.6889 681 L 4.0194 7.8436 120.8485 58.1135 42.0972 178.8220 682 T 3.9302 7.6890 115.5583 66.3823 68.3667 176.7339 683 R 3.8754 7.8076 120.5088 59.3880 30.0499 178.1719 684 N 4.3409 8.3265 116.9090 56.7185 38.9091 176.6783 685 D 4.3496 8.5231 120.7607 57.0816 40.8330 178.5023 686 L 3.8959 8.2769 121.2777 58.2510 42.1632 178.5157 687 D 4.3365 8.0939 117.9050 57.5943 40.8948 178.3180 688 T 3.8481 8.0070 115.4602 66.8148 68.6201 176.4432 689 L 4.1349 7.9134 119.6975 57.6207 41.9737 179.0872 690 L 4.1661 8.3843 120.8289 57.9721 41.9667 180.0724 691 S 4.2974 8.0181 113.5736 58.8028 62.3499 175.8905 *693 E 4.2069 8.3712 122.8186 56.4444 31.2614 177.6921 694 I 3.6857 7.9002 119.2953 64.4651 36.9229 178.4282 695 K 3.9026 7.9536 117.8163 59.6079 32.0076 179.0271 696 L 4.1372 7.8628 118.5602 57.9640 41.3898 179.6910 697 R 3.9675 7.9841 117.0348 58.5573 30.2451 178.0704 698 L 4.4729 7.9071 116.9590 54.2891 41.3971 178.1100 699 L 3.9350 7.5126 121.6007 58.2833 41.6863 178.6091 700 D 4.7152 8.0372 114.3346 54.6112 40.8504 176.2805 701 L 4.4660 8.1423 121.1822 54.3811 42.1860 175.4944 702 E 4.0699 7.5843 118.3636 58.0145 29.6900 176.2587 703 N 4.3150 8.9936 121.4148 53.8836 36.2420 173.4961 704 I 4.4759 7.4063 118.7256 59.0548 39.4606 175.4294 705 Q 4.0179 8.6466 126.2587 56.0412 29.4742 175.0509 706 I 4.3457 8.1194 126.3979 58.6088 38.3600 173.9132 707 P 4.4333 0.0000 0.0000 62.9315 31.8491 176.3816 708 D 4.3541 8.8140 120.0803 56.9692 41.0829 176.7469 709 A 4.7232 7.4855 119.1523 49.1718 21.3247 174.4746 710 P 4.2512 0.0000 0.0000 62.1200 31.6794 175.3268 711 P 4.4286 0.0000 0.0000 61.6427 31.9316 174.1475 712 P 4.3306 0.0000 0.0000 62.6953 31.8237 176.0604 713 I 4.0629 8.2231 124.0554 59.5455 37.2552 174.1073 714 P 4.5373 0.0000 0.0000 61.5479 32.2023 175.9547 715 K 4.1066 8.2807 120.1420 55.8321 32.6489 176.3267 716 E 4.2083 8.5750 122.5724 55.6122 30.0249 175.0651 717 P 4.3183 0.0000 0.0000 62.7549 31.7657 177.0115 718 S 4.3886 8.3092 114.3342 59.4756 63.6341 173.3006 719 N 4.7850 6.9097 116.4725 52.7315 39.2652 173.0065 720 Y 3.9662 7.9863 114.3039 57.7557 39.1417 176.7282 721 D 4.4564 7.7186 121.9033 52.8417 39.5091 176.6700 722 F 4.6325 7.4756 121.2117 57.1188 40.0296 176.0925 723 V 3.5468 8.4258 122.8737 65.1089 31.5250 175.5624 724 Y 4.8465 7.4728 114.7355 56.0977 40.5059 174.2927 725 D 4.7704 8.4187 121.3078 53.5540 42.3337 175.9374 726 C 4.3718 8.3148 118.2900 59.2700 29.3745 173.9993 727 N 4.5035 8.5804 116.9418 54.1269 38.3122 174.5863 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 530 S 8.18 4.39 0.00 3.90 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 0.00 531 G 8.26 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 0.00 532 P 0.00 4.77 0.00 2.27 2.32 0.00 3.78 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.91 0.00 533 I 7.69 3.72 2.07 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 1.52 0.67 0.91 0.00 0.00 534 L 8.73 3.93 0.00 1.75 1.90 0.92 0.95 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 0.00 535 E 8.12 4.12 0.00 2.25 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 2.33 2.65 0.00 536 L 8.00 3.99 0.00 1.85 1.85 0.92 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 537 K 8.30 3.99 0.00 1.99 1.84 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.71 7.81 538 E 8.19 4.11 0.00 2.07 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 2.34 2.67 0.00 539 K 7.63 4.14 0.00 1.83 1.86 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.61 7.81 540 I 7.79 4.05 1.86 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 1.40 1.61 0.94 0.00 0.00 541 Q 8.43 3.94 0.00 2.16 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.79 0.00 0.00 0.00 0.00 0.00 2.36 2.43 0.00 542 P 0.00 4.23 0.00 2.19 2.07 0.00 3.77 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.14 0.00 543 E 8.11 4.03 0.00 2.18 2.20 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 2.68 2.39 0.00 544 I 7.59 3.72 1.99 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 1.72 1.04 0.90 0.00 0.00 545 L 8.17 4.03 0.00 1.81 1.70 0.90 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 546 E 7.97 3.93 0.00 2.21 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 2.29 2.37 0.00 547 L 7.84 4.00 0.00 1.98 1.68 0.96 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 548 I 7.79 3.65 1.99 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 1.38 0.93 0.86 0.00 0.00 549 K 8.04 3.81 0.00 1.79 1.95 0.00 1.60 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.42 7.81 550 Q 8.04 3.97 0.00 2.30 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.35 0.00 551 Q 8.22 3.92 0.00 2.12 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.32 2.51 0.00 552 R 8.15 3.75 0.00 1.86 1.77 0.00 3.34 0.00 0.00 3.04 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.70 0.00 553 L 7.85 3.78 0.00 1.57 1.41 0.80 0.32 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 0.00 554 N 8.14 4.33 0.00 2.87 2.84 0.00 0.00 7.05 7.09 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 0.00 555 R 7.79 3.90 0.00 1.87 1.83 0.00 3.26 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.75 0.00 556 L 7.48 3.36 0.00 1.56 1.32 0.53 -1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 557 V 7.43 4.47 2.25 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 1.00 0.00 0.00 1.02 0.00 0.00 558 E 7.81 4.12 0.00 2.21 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 2.34 2.52 0.00 559 G 8.03 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 0.00 0.00 0.00 0.00 560 T 8.75 4.77 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 1.85 0.00 0.00 561 C 8.33 4.94 0.00 2.96 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 0.00 562 F 9.16 4.89 0.00 1.90 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 0.00 563 R 8.54 4.87 0.00 1.89 1.88 0.00 3.19 0.00 0.00 3.24 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.20 0.00 564 K 8.90 4.32 0.00 1.61 1.65 0.00 1.84 0.00 0.00 1.60 0.00 0.00 2.64 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.20 1.63 7.81 565 L 8.40 4.36 0.00 1.74 1.68 0.94 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 566 N 8.56 4.04 0.00 2.85 2.88 0.00 0.00 6.96 7.35 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 0.00 567 A 7.62 4.60 1.16 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 0.00 0.00 0.00 568 R 10.45 4.38 0.00 1.81 1.80 0.00 3.19 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 569 R 9.36 3.83 0.00 1.86 2.05 0.00 3.51 0.00 0.00 3.27 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 578 R 9.79 5.53 0.00 2.21 2.27 0.00 2.92 0.00 0.00 3.23 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.83 0.00 579 L 8.81 5.10 0.00 1.74 1.54 0.92 0.85 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 0.00 580 S 9.47 4.82 0.00 4.04 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 0.00 581 P 0.00 4.56 0.00 2.20 2.26 0.00 3.81 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 2.02 1.99 0.00 582 N 8.08 4.49 0.00 2.83 2.97 0.00 0.00 6.17 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 0.00 583 H 8.70 4.32 0.00 3.27 3.50 0.00 5.63 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 584 K 8.34 4.57 0.00 1.71 1.83 0.00 1.62 0.00 0.00 1.76 0.00 0.00 2.82 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.42 7.81 585 V 8.48 4.55 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 0.90 0.00 0.00 0.94 0.00 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0.00 0.95 0.00 0.00 0.99 0.00 0.00 611 A 8.08 3.52 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 0.00 612 D 7.86 4.81 0.00 2.88 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 0.00 613 I 8.41 4.40 1.99 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 1.20 0.70 1.01 0.00 0.00 614 K 8.60 4.53 0.00 1.79 1.85 0.00 1.86 0.00 0.00 1.72 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.40 7.81 615 A 7.39 4.48 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 0.00 616 V 8.49 4.94 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 0.90 0.00 0.00 0.97 0.00 0.00 617 V 9.00 4.83 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 0.82 0.00 0.00 1.10 0.00 0.00 618 T 8.01 5.10 4.67 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 1.32 0.00 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0.62 0.00 0.00 0.00 0.00 0.00 0.00 653 N 8.23 5.08 0.00 2.23 1.88 0.00 0.00 6.96 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 0.00 654 F 8.79 4.79 0.00 1.51 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 0.00 655 I 8.20 4.97 2.14 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 1.36 0.93 1.00 0.00 0.00 656 A 9.58 4.65 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 0.00 0.00 0.00 0.00 0.00 657 P 0.00 4.50 0.00 2.19 2.17 0.00 3.78 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.71 0.00 658 D 7.62 4.61 0.00 3.09 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 0.00 659 K 8.62 3.94 0.00 1.91 1.92 0.00 1.66 0.00 0.00 1.68 0.00 0.00 3.04 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.54 1.65 7.81 660 H 8.40 4.08 0.00 3.34 3.55 0.00 5.92 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 0.00 661 E 9.42 4.18 0.00 2.24 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 0.00 2.55 2.46 0.00 662 Y 8.24 4.18 0.00 3.32 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 0.00 663 C 8.31 4.07 0.00 3.14 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 0.00 664 I 7.83 3.53 2.05 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 1.61 0.88 0.62 0.00 0.00 665 W 8.30 3.49 0.00 2.96 2.68 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 0.00 666 T 7.36 3.47 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 0.17 0.00 0.00 667 D 8.15 4.36 0.00 2.61 2.63 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 0.00 668 G 7.90 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 0.00 0.00 0.00 669 L 8.02 3.92 0.00 1.55 1.70 0.90 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 670 N 7.97 4.23 0.00 2.87 2.96 0.00 0.00 6.94 7.62 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 0.00 671 A 8.02 3.91 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 0.00 672 L 7.67 3.96 0.00 1.79 1.75 0.86 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 0.00 673 L 7.99 4.45 0.00 1.80 1.68 0.93 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 674 G 8.18 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 675 K 8.10 4.69 0.00 1.65 1.69 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.37 1.51 7.81 676 D 8.15 4.61 0.00 2.65 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 *679 S 8.37 4.31 0.00 4.08 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 0.00 680 D 8.43 4.44 0.00 2.74 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 0.00 681 L 7.84 4.02 0.00 1.70 1.59 0.88 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 682 T 7.69 3.93 4.37 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 1.18 0.00 0.00 683 R 7.81 3.88 0.00 1.81 2.09 0.00 3.25 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.78 0.00 684 N 8.33 4.34 0.00 2.91 2.79 0.00 0.00 7.24 8.08 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 0.00 685 D 8.52 4.35 0.00 2.71 2.68 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 0.00 686 L 8.28 3.90 0.00 1.83 1.84 0.91 1.05 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 0.00 687 D 8.09 4.34 0.00 2.95 2.79 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 0.00 688 T 8.01 3.85 4.38 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 1.21 0.00 0.00 689 L 7.91 4.13 0.00 1.59 1.72 0.91 1.29 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 0.00 690 L 8.38 4.17 0.00 1.77 1.76 0.91 0.87 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 0.00 691 S 8.02 4.30 0.00 4.02 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 *693 E 8.37 4.21 0.00 2.22 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 2.27 2.40 0.00 694 I 7.90 3.69 2.02 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 1.81 0.72 0.91 0.00 0.00 695 K 7.95 3.90 0.00 1.71 1.88 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.72 7.81 696 L 7.86 4.14 0.00 1.87 1.71 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 697 R 7.98 3.97 0.00 1.97 1.99 0.00 3.31 0.00 0.00 3.22 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.81 0.00 698 L 7.91 4.47 0.00 1.67 1.67 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 699 L 7.51 3.93 0.00 1.67 1.74 0.92 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 700 D 8.04 4.72 0.00 2.66 2.68 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 0.00 701 L 8.14 4.47 0.00 1.83 1.60 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 702 E 7.58 4.07 0.00 2.11 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 0.00 2.32 2.33 0.00 703 N 8.99 4.32 0.00 2.92 2.91 0.00 0.00 6.94 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 0.00 704 I 7.41 4.48 2.03 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 1.18 0.77 0.91 0.00 0.00 705 Q 8.65 4.02 0.00 1.99 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.76 0.00 0.00 0.00 0.00 0.00 2.34 2.44 0.00 706 I 8.12 4.35 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 0.73 0.91 0.00 0.00 707 P 0.00 4.43 0.00 2.36 2.06 0.00 3.76 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 708 D 8.81 4.35 0.00 2.67 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 0.00 709 A 7.49 4.72 1.22 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 0.00 0.00 710 P 0.00 4.25 0.00 2.05 2.03 0.00 3.70 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 2.03 2.12 0.00 711 P 0.00 4.43 0.00 2.04 2.00 0.00 3.68 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 2.03 2.08 0.00 712 P 0.00 4.33 0.00 2.18 2.06 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 1.99 1.99 0.00 713 I 8.22 4.06 1.88 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 1.48 0.56 0.93 0.00 0.00 714 P 0.00 4.54 0.00 2.18 2.07 0.00 3.78 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 2.00 1.96 0.00 715 K 8.28 4.11 0.00 1.75 1.76 0.00 1.80 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.45 7.81 716 E 8.58 4.21 0.00 2.28 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 2.33 2.43 0.00 717 P 0.00 4.32 0.00 1.34 1.73 0.00 3.82 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 1.94 2.02 0.00 718 S 8.31 4.39 0.00 3.94 3.94 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 0.00 719 N 6.91 4.79 0.00 2.69 2.69 0.00 0.00 5.86 7.55 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 0.00 720 Y 7.99 3.97 0.00 2.72 2.47 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 0.00 721 D 7.72 4.46 0.00 2.57 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 0.00 0.00 0.00 0.00 722 F 7.48 4.63 0.00 3.10 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 0.00 723 V 8.43 3.55 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 0.03 0.00 0.00 0.80 0.00 0.00 724 Y 7.47 4.85 0.00 3.02 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 0.00 725 D 8.42 4.77 0.00 2.73 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 0.00 726 C 8.31 4.37 0.00 2.98 2.87 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 0.00 727 N 8.58 4.50 0.00 2.85 2.77 0.00 0.00 6.73 7.56 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 * Residues marked with a * may have inaccurate shift predictions.