NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 507 R 4.2266 8.2549 117.2792 55.5440 31.7462 175.0564 508 C 4.3830 7.8658 116.0182 55.0543 29.9317 171.2654 509 P 5.0769 0.0000 0.0000 61.9294 33.1557 175.2336 510 S 4.6857 9.0647 112.8508 58.0646 65.0993 173.9341 511 V 4.9456 7.5119 117.9024 60.8976 35.2630 174.0844 512 I 4.8545 8.9767 119.4078 59.0116 41.3081 173.5314 513 E 4.8532 8.5127 125.0239 54.8991 31.6513 174.6173 514 F 4.7312 9.4745 129.4492 55.9595 41.3885 175.1475 515 G 3.6408 8.3949 118.7664 46.4087 0.0000 173.8523 516 K 3.9980 8.3929 123.5453 57.5806 33.0500 176.1797 517 Y 4.6932 7.5563 118.6596 56.5153 39.4964 173.8137 518 E 4.8689 8.7484 125.0318 55.0389 31.1751 174.9476 519 I 4.5723 8.8486 128.0886 59.7040 40.2356 174.5054 520 H 4.9701 9.0312 125.2298 55.7462 29.3235 175.6301 521 T 4.2143 8.9806 114.1150 61.2316 70.1862 175.1135 522 W 4.5873 8.6822 121.5885 57.5134 31.2704 176.0910 523 Y 4.8711 7.4993 115.0303 55.7326 41.5921 174.7192 524 S 4.4420 8.6451 117.5491 58.9965 63.5697 174.0842 525 S 4.5282 8.2164 116.5364 55.9826 65.6213 173.1266 526 P 4.5848 0.0000 0.0000 61.9606 30.1879 176.4708 527 Y 3.4507 7.4206 115.4377 57.8545 39.1335 175.3358 528 P 4.3317 0.0000 0.0000 62.9505 32.0410 175.5506 529 Q 4.1204 8.7059 120.6418 58.0325 29.0472 177.1171 530 E 4.1824 9.2613 119.3835 56.0918 28.1052 175.1404 531 Y 4.5187 7.3879 114.4151 58.6441 39.0792 176.7670 532 S 4.4640 8.1769 114.0037 59.8830 63.2599 174.6454 533 R 4.6307 7.8519 118.4921 55.4113 30.6923 174.4778 534 L 4.7414 7.6360 120.1248 52.3080 44.5123 175.2434 535 P 4.3341 0.0000 0.0000 64.8932 32.5323 176.0081 536 K 5.3316 7.8614 119.6141 53.1808 34.9912 175.3813 537 L 4.9412 8.2484 125.4206 53.1046 45.7203 174.7021 538 Y 4.7756 9.0306 119.4346 56.3780 40.2462 174.7088 539 L 5.2083 8.4178 124.7683 52.7988 44.2992 176.2120 540 C 4.2912 8.7534 124.3551 59.2536 31.9446 174.4816 541 E 2.7476 8.5076 124.0679 57.8439 29.6265 177.5099 542 F 4.8949 7.8763 117.3258 58.6431 40.2229 176.1873 543 C 4.8257 8.0725 113.1280 57.5074 30.4805 174.8538 544 L 3.9996 8.0884 119.1509 54.7990 39.4460 174.2068 545 K 3.9141 7.3341 121.4227 56.8527 33.0158 175.0663 546 Y 5.0633 7.5717 125.2155 56.0691 39.7006 174.6155 547 M 5.1936 9.1218 121.3717 53.7876 36.7787 175.9554 548 K 4.5517 9.0222 118.5631 57.5838 33.9227 176.7028 549 S 4.1030 7.3265 114.0619 55.7275 67.0977 174.6973 550 R 3.2734 7.3639 121.6596 59.6352 29.7511 178.4527 551 T 3.7467 7.5592 112.3734 65.0923 67.3881 176.0819 552 I 3.6451 7.3316 121.4814 64.1415 37.0694 178.0179 553 L 3.9570 7.8070 121.1884 58.3388 41.6479 179.1613 554 Q 3.9843 8.0151 117.1660 59.0791 28.5786 178.3141 555 Q 4.1070 8.2922 119.2988 59.1071 28.7026 178.5154 556 H 4.1391 8.2456 119.2332 59.5992 29.7737 177.2377 557 M 4.2870 8.2056 119.4641 58.2042 31.7730 178.3342 558 K 4.1075 7.6408 117.9654 58.0715 32.4217 177.3548 559 K 4.3410 7.5778 116.0451 57.0437 34.3845 176.1555 560 C 3.9881 8.2520 121.2457 59.3304 31.6280 173.2019 561 G 4.1035 8.5079 114.3402 45.0467 0.0000 173.4901 562 W 4.3264 8.0878 120.5789 56.5250 29.8219 175.8435 563 F 3.4646 7.5457 115.2326 55.5045 38.1957 173.5901 564 H 4.5726 7.0423 114.2701 54.2910 30.2114 171.7132 565 P 3.7009 0.0000 0.0000 62.0902 31.6416 176.0382 566 P 3.7812 0.0000 0.0000 60.3302 29.3188 174.3357 567 A 4.3983 6.8605 124.7989 51.7030 22.8238 175.9861 568 N 4.4823 8.4686 116.7881 53.3213 39.9297 174.4759 569 E 4.0399 8.6729 124.9457 55.8758 29.9334 175.9859 570 I 4.5314 8.8072 120.5845 61.2678 39.6965 174.6202 571 Y 5.2125 7.5144 123.9400 56.2839 42.4160 173.3843 572 R 4.9197 7.6780 125.6161 55.0173 33.7688 174.0971 573 K 4.3718 8.8520 127.2066 55.8339 35.9999 175.9229 574 N 4.1112 8.4854 125.3522 54.9238 37.6829 174.5431 575 N 4.9086 8.9378 124.6642 53.4017 37.6664 173.3083 576 I 5.0279 7.7456 119.5160 60.1842 40.3465 174.8451 577 S 5.3474 9.1399 121.7950 56.6846 67.3517 173.0831 578 V 4.8946 8.6836 121.4998 61.3187 34.3107 174.1645 579 F 4.9678 9.4942 127.0616 55.9328 41.3344 174.6197 580 E 4.5298 8.8548 124.9295 54.8900 30.1734 174.9111 581 V 4.3088 8.9072 128.5717 61.2061 33.9703 173.8294 582 D 5.0901 8.6434 127.7050 52.7712 41.9497 177.0574 583 G 3.9308 9.1589 114.5833 49.2493 0.0000 174.1471 584 N 4.6202 8.9984 118.7654 55.6830 39.3653 175.7226 585 V 4.0618 7.8364 116.0362 64.7575 33.2642 177.2563 586 S 4.7207 7.9540 117.3183 57.7341 59.4136 175.1907 587 T 4.0498 7.5470 122.9761 66.7616 68.9269 176.5624 588 I 3.8641 7.8230 121.1415 64.6529 37.2440 177.4995 589 Y 4.0845 8.2130 119.6915 61.2254 38.6310 178.0258 590 C 3.5426 8.3361 117.4353 62.5329 28.0759 176.1108 591 Q 4.2082 8.5597 120.1786 59.0817 28.3055 178.5634 592 N 4.2648 8.4226 117.9494 56.0666 38.4382 177.2687 593 L 3.6085 7.5020 121.7682 58.1624 42.0812 178.8596 594 C 4.0147 7.8014 116.6839 62.6219 27.7763 176.0827 595 L 3.4955 7.3006 119.8256 57.2951 41.4348 178.9983 596 L 4.0711 7.7236 120.0356 58.1742 42.0350 178.8409 597 A 4.2013 8.1511 120.9759 55.1849 18.2097 179.4890 598 K 3.8866 8.0772 117.7066 59.0369 32.1605 178.5926 599 L 4.2857 7.4885 119.6775 55.7938 40.9975 177.9469 600 F 4.9485 7.6444 115.8052 56.5127 40.4027 174.3617 601 L 4.8777 7.6652 120.1522 52.7770 44.7160 176.5479 602 D 3.3700 8.3777 122.2236 56.4748 41.3826 174.7758 603 H 4.7280 7.3660 116.0828 54.4488 33.3437 171.5806 *605 T 4.0805 8.0760 109.8338 60.6573 69.5670 173.5202 606 L 3.8486 8.1812 124.9038 55.4256 42.4576 177.7275 607 Y 4.0990 8.1513 123.1427 59.1919 38.1762 176.0379 608 Y 4.5564 6.5552 117.0050 56.5855 38.2664 175.7213 609 D 4.9284 7.6254 122.1526 52.8900 40.4543 175.4290 610 V 4.6782 7.9094 116.2477 61.1962 33.9397 177.6337 611 E 4.0311 8.7571 120.1403 59.0889 29.3339 176.1566 612 P 4.3963 0.0000 0.0000 63.6306 31.8320 175.3371 613 F 5.3469 8.3402 117.6466 55.5409 42.5873 174.1805 614 L 5.1471 9.0006 121.4894 53.2197 44.3731 175.5137 615 F 4.9133 9.4748 122.3136 56.0626 41.8255 174.2589 616 Y 4.6067 8.8240 123.4689 56.5785 38.7737 174.6354 617 V 4.6872 8.9199 126.2030 61.3372 33.4811 174.4200 618 L 5.0217 9.1600 131.5007 54.5777 43.5486 175.4033 619 T 5.1500 8.9366 115.5576 59.9737 72.6979 172.2297 620 Q 4.9746 8.8433 125.2589 54.6765 31.0906 173.7913 621 N 5.6352 9.4713 124.5342 52.0958 41.6343 174.3474 622 D 4.7771 8.7340 120.5570 52.6850 41.8130 175.9157 623 V 3.7306 8.4895 117.0431 64.4796 31.5985 176.7450 624 K 4.2066 8.7430 119.0212 55.9257 32.6797 175.0955 625 G 3.7449 7.2632 105.1995 44.1548 0.0000 172.2148 626 C 5.2389 8.7115 119.4204 58.0731 28.8049 173.5283 627 H 4.8174 9.0296 122.9446 54.3000 29.9082 175.0206 628 L 4.3256 8.8912 126.1794 56.0122 42.0247 176.1967 629 V 3.4553 8.8740 126.6075 63.6453 33.5629 175.6041 630 G 4.3068 7.3261 105.7843 46.9273 0.0000 170.5131 631 Y 5.8991 7.7207 115.4189 57.1295 41.7575 173.3856 632 F 5.2192 8.4815 114.7929 55.2220 41.4346 174.3064 633 S 5.0287 9.1962 116.7434 57.5280 65.9363 173.0630 634 K 4.9342 8.5616 121.3390 55.3294 35.7750 174.7109 635 E 4.1534 8.4091 126.7819 56.4207 29.2990 177.1130 636 K 4.0566 8.8902 125.3979 59.1973 32.8223 177.1709 637 H 4.6905 7.9743 116.2765 53.9912 31.3213 172.8210 638 C 4.5367 8.3288 124.8997 57.7842 33.4066 174.4651 639 Q 4.0287 8.6377 127.2572 58.8491 29.1067 177.5532 640 Q 3.8520 7.7844 115.0818 55.8976 29.2861 175.9430 641 K 4.2946 7.5361 117.0278 57.3528 30.2653 174.6792 642 Y 4.7388 7.1859 114.8380 58.2107 38.2861 175.7348 643 N 4.8567 8.9601 122.2397 53.1944 38.4906 175.3194 644 V 4.8052 7.4764 120.0905 62.2527 34.7134 174.5615 645 S 4.5333 9.2583 123.0255 60.1533 64.3013 174.0085 646 C 4.9337 7.9826 119.2564 57.1083 35.2529 172.3849 647 I 4.8393 8.0406 122.8753 59.7670 41.2000 173.9460 648 M 4.6019 8.4919 127.9788 54.5606 35.9178 173.0148 649 I 4.7384 8.1122 126.8908 59.0287 39.5273 175.7478 650 L 3.4202 8.5589 127.4025 54.0082 42.3926 176.2012 651 P 4.2721 0.0000 0.0000 65.8188 31.2774 178.4537 652 Q 3.7800 7.5986 113.3076 58.0781 28.2507 176.2337 653 Y 4.7549 7.4800 114.8130 57.6381 39.1419 176.0440 654 Q 4.1945 7.9271 119.4986 56.9691 29.2570 175.7400 655 R 3.9483 8.6579 116.6876 57.8053 27.2691 177.1226 656 K 4.3775 8.5199 114.0436 55.8717 33.8674 177.1596 657 G 3.9719 8.2026 107.8030 45.4223 0.0000 175.2232 658 Y 4.2567 7.8350 118.4873 60.6970 37.8629 178.1529 659 G 3.5818 8.1231 106.3164 47.8104 0.0000 175.4655 660 R 3.7246 7.9274 121.1272 58.8548 30.1449 177.8817 661 F 4.0023 8.1566 120.3639 61.5493 39.3552 177.1359 662 L 4.1199 8.1911 118.3095 57.8642 41.5404 179.6540 663 I 3.0967 7.3857 119.7003 64.0426 37.0185 177.8698 664 D 4.3763 8.0417 120.4752 56.7327 41.0021 178.1602 665 F 3.6853 8.2439 121.6050 61.0270 39.1939 177.0800 666 S 3.6164 7.9994 114.2757 61.6329 62.3822 176.2034 667 Y 4.1250 7.5428 119.5793 60.3017 37.6138 177.7165 668 L 3.9177 7.6107 121.2531 57.9139 42.0866 179.0808 669 L 3.6057 7.1564 118.5062 57.6175 41.3774 179.3559 670 S 4.4303 7.5219 116.2675 61.1494 62.6952 177.1599 671 K 4.0111 8.5022 121.2522 59.3293 31.5574 179.0995 672 R 4.1750 8.0432 117.7992 57.8951 29.9204 177.0806 673 E 4.5281 8.4091 116.4168 55.7205 29.7728 176.7940 674 G 3.8397 7.7281 107.4118 46.7562 0.0000 173.4846 675 Q 4.7897 8.3381 116.6733 53.5220 32.5662 175.0727 676 A 4.6650 8.7024 123.3635 51.5646 20.2387 176.6768 677 G 4.3802 9.1346 107.1873 44.7879 0.0000 171.2662 678 S 5.2579 8.4134 112.0795 55.8911 66.1530 171.7133 679 P 4.6249 0.0000 0.0000 62.3383 31.9406 175.5779 680 E 2.5400 8.3115 123.3453 55.9225 29.8591 176.4001 681 K 4.6127 7.7569 125.5185 53.4551 34.7559 174.3562 682 P 4.3693 0.0000 0.0000 62.8377 31.8598 176.0767 683 L 4.3544 8.1213 120.8536 53.7746 42.9793 177.5706 684 S 4.4013 8.3143 116.8654 58.0143 65.1574 174.9692 685 D 4.3979 8.7286 122.5640 57.9744 40.5747 179.4321 686 L 4.1591 8.0701 118.7080 57.6386 41.6767 179.6635 687 G 3.6556 8.3296 105.7652 47.7629 0.0000 175.6272 688 R 3.8940 8.4945 121.7915 59.1841 30.1101 178.6038 689 L 3.9938 7.9996 118.6419 57.8315 41.6138 179.7360 690 S 4.0245 8.0341 115.0570 61.7915 62.7879 176.4724 691 Y 3.2805 7.8063 119.2468 60.9473 37.4991 177.9866 692 M 4.1194 7.8059 119.3808 58.6615 31.7641 178.8010 693 A 4.0151 8.0635 120.6353 55.1133 18.1850 179.1480 694 Y 3.9476 7.9142 118.0547 60.6542 38.8404 178.2255 695 W 4.2687 8.5474 120.2911 59.5875 29.1965 178.4685 696 K 3.9077 8.2202 118.8099 59.7560 31.5749 179.4935 697 S 3.8988 7.6562 113.8746 61.2476 62.9378 176.6169 698 V 3.4054 7.5435 121.8427 65.6298 31.1429 178.1871 699 I 3.6530 7.8485 119.6261 64.3919 36.9379 178.4164 700 L 3.9820 8.2737 120.1990 57.9493 41.4665 179.5470 701 E 4.0617 8.3665 118.5547 59.2503 29.1443 179.0179 702 C 4.1602 7.9182 118.1722 62.4192 31.9946 175.1431 703 L 4.1179 8.0866 120.7527 58.1113 41.0256 178.6756 704 Y 3.9959 7.9604 118.0840 60.9265 38.7355 177.2963 705 H 4.6898 7.8455 112.9106 55.8268 29.6710 175.7693 706 Q 4.4838 8.0147 120.0884 55.8230 29.2107 177.6418 *712 S 4.2075 8.4573 119.9816 59.2038 64.2728 173.9677 713 I 3.7782 8.0805 128.7654 64.1568 37.2012 178.8181 714 K 3.9354 7.9280 119.3735 59.7071 32.4386 179.0610 715 K 3.8677 7.8256 120.8755 59.2091 31.3742 178.3097 716 L 3.8908 7.8145 120.6599 58.4345 41.7848 178.9716 717 S 4.5191 8.0950 114.3008 60.8814 62.1106 176.3582 718 K 3.9981 7.7484 119.9391 59.3560 31.9176 179.0424 719 L 4.2131 7.8001 117.5660 56.8027 41.9705 177.7363 720 T 4.3191 7.3180 108.1158 60.6665 69.6098 175.5486 721 G 4.1921 8.6030 108.5772 45.3749 0.0000 173.1934 722 I 4.1269 6.9653 121.0122 60.7600 38.0083 175.6866 723 C 4.4772 8.1801 119.9094 57.3015 31.5987 172.9368 724 P 4.1468 0.0000 0.0000 66.0069 30.8204 178.6053 725 Q 3.8544 7.9332 117.4890 59.4731 29.0461 178.1114 726 D 3.7344 7.6632 119.2026 56.7791 40.7207 178.7280 727 I 3.4922 7.2520 120.0594 64.5275 37.0615 178.4876 728 T 3.8148 7.9130 116.9239 66.7767 68.2624 176.9230 729 S 4.1641 8.1897 116.1702 61.4960 63.0945 176.6750 730 T 3.9639 7.9056 119.4977 66.5037 68.2368 176.6136 731 L 4.0114 8.3622 121.3727 57.9375 41.5216 179.1091 732 H 4.0634 8.4651 118.2457 59.6318 29.6621 176.6045 733 H 4.0886 8.2546 118.7151 59.2782 29.6587 176.1218 734 L 4.3022 7.8946 117.8349 53.4938 42.2340 176.9444 735 R 3.6585 7.6151 115.2555 58.1610 28.7626 176.3864 736 M 4.7293 8.5614 112.6794 56.0034 33.1383 177.3016 737 L 4.3458 7.5226 122.0487 52.9708 41.3019 174.1085 *747 I 3.8447 7.5323 118.5275 60.5666 37.9221 175.6013 748 R 4.2007 8.4701 125.1727 55.5968 30.8580 177.8188 749 R 4.4150 8.2334 122.7361 54.3527 29.9234 176.6614 750 E 3.9473 8.4257 123.8230 59.1723 29.7444 178.5585 751 K 3.8388 8.1196 119.0334 59.6596 32.1437 178.3172 752 L 3.9775 7.8517 119.8398 58.0385 42.1060 178.6604 753 I 3.7125 7.7326 119.7595 64.6016 37.1161 178.3825 754 Q 4.0363 8.3981 118.9600 59.2118 28.5033 178.7232 755 D 4.3539 8.1387 119.8527 57.5598 40.7415 178.3514 756 H 4.0875 8.2395 118.7916 59.5209 29.6778 177.0498 757 M 3.7230 7.7775 118.5464 58.2902 31.9584 177.7311 758 A 4.0711 7.6362 120.5649 54.5092 18.6451 179.1517 759 K 3.9334 7.8615 117.6389 58.7529 32.7439 177.3659 760 L 3.9899 7.2581 120.9064 56.1523 42.5541 177.7703 761 Q 3.8736 8.6323 120.7259 56.1665 27.2342 174.1310 762 L 4.2869 7.2658 117.4929 55.2452 41.2718 176.6988 *765 R 4.1455 7.4964 118.0151 56.2316 29.9729 173.6343 766 P 4.3290 0.0000 0.0000 63.8456 32.1187 177.3381 767 V 4.2353 6.9206 116.6262 61.0270 32.1755 174.2995 768 D 4.8332 8.5444 126.0943 52.6682 44.1532 174.6918 769 V 3.6506 8.4998 126.7402 62.8312 32.0209 174.4968 770 D 4.9096 9.3098 127.6034 51.8550 41.4854 174.7196 771 P 4.3371 0.0000 0.0000 65.5980 31.5199 178.5427 772 E 4.1758 8.1145 116.3997 58.4597 29.3859 177.2230 773 C 4.3032 8.3745 116.2900 59.5856 28.5291 172.7764 774 L 4.8633 7.7787 123.6862 54.9163 42.3016 177.6717 775 R 4.6548 9.0193 127.8548 54.0405 29.1279 176.1117 776 W 4.7942 7.9036 130.4078 57.5962 30.8334 174.2011 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 507 R 8.25 4.23 0.00 1.93 2.13 0.00 2.96 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.67 0.00 508 C 7.87 4.38 0.00 2.95 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 0.00 509 P 0.00 5.08 0.00 1.94 2.06 0.00 3.29 0.00 0.00 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.44 0.00 510 S 9.06 4.69 0.00 3.87 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 0.00 511 V 7.51 4.95 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 0.78 0.00 0.00 0.86 0.00 0.00 512 I 8.98 4.85 1.83 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 1.22 0.92 0.76 0.00 0.00 513 E 8.51 4.85 0.00 1.78 1.53 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 2.28 2.24 0.00 514 F 9.47 4.73 0.00 3.09 2.92 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 0.00 0.00 0.00 0.00 515 G 8.39 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 516 K 8.39 4.00 0.00 1.61 1.66 0.00 1.31 0.00 0.00 1.41 0.00 0.00 2.85 0.00 0.00 2.53 0.00 0.00 0.00 0.00 0.30 0.49 7.81 517 Y 7.56 4.69 0.00 3.30 2.83 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 0.00 518 E 8.75 4.87 0.00 1.98 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 0.00 2.18 2.24 0.00 519 I 8.85 4.57 1.91 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 1.22 0.66 0.90 0.00 0.00 520 H 9.03 4.97 0.00 3.17 3.34 0.00 5.69 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 0.00 521 T 8.98 4.21 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 1.03 0.00 0.00 522 W 8.68 4.59 0.00 3.17 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 523 Y 7.50 4.87 0.00 3.13 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 0.00 524 S 8.65 4.44 0.00 3.90 3.82 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 0.00 525 S 8.22 4.53 0.00 3.69 3.74 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 0.00 526 P 0.00 4.58 0.00 2.24 2.07 0.00 3.57 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 1.88 1.96 0.00 527 Y 7.42 3.45 0.00 2.82 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 0.00 528 P 0.00 4.33 0.00 2.49 2.22 0.00 3.41 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.32 0.00 529 Q 8.71 4.12 0.00 2.10 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 5.55 0.00 0.00 0.00 0.00 0.00 2.43 2.47 0.00 530 E 9.26 4.18 0.00 2.00 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 0.00 1.68 1.68 0.00 531 Y 7.39 4.52 0.00 3.19 2.93 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 0.00 0.00 0.00 532 S 8.18 4.46 0.00 3.92 3.95 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 0.00 533 R 7.85 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.47 0.00 542 F 7.88 4.89 0.00 3.21 3.24 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 0.00 543 C 8.07 4.83 0.00 2.24 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 0.00 544 L 8.09 4.00 0.00 1.70 1.85 0.32 1.24 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 0.00 545 K 7.33 3.91 0.00 1.67 1.39 0.00 1.22 0.00 0.00 1.29 0.00 0.00 2.68 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.04 1.02 7.81 546 Y 7.57 5.06 0.00 2.67 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 0.00 547 M 9.12 5.19 0.00 1.94 2.06 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 548 K 9.02 4.55 0.00 1.89 1.99 0.00 1.50 0.00 0.00 1.67 0.00 0.00 2.43 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.39 1.41 7.81 549 S 7.33 4.10 0.00 3.79 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 2.66 2.91 0.00 558 K 7.64 4.11 0.00 1.96 1.87 0.00 1.64 0.00 0.00 1.74 0.00 0.00 3.16 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.47 7.81 559 K 7.58 4.34 0.00 1.81 1.85 0.00 1.60 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.31 7.81 560 C 8.25 3.99 0.00 2.44 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 0.00 561 G 8.51 4.10 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 0.00 0.00 0.00 562 W 8.09 4.33 0.00 3.22 2.92 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 0.00 0.00 0.00 0.00 563 F 7.55 3.46 0.00 2.68 2.80 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 0.00 0.00 0.00 564 H 7.04 4.57 0.00 2.44 2.97 0.00 5.74 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 565 P 0.00 3.70 0.00 1.36 1.63 0.00 2.20 0.00 0.00 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.93 0.00 566 P 0.00 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0.00 1.48 1.43 7.81 625 G 7.26 3.74 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 0.00 626 C 8.71 5.24 0.00 2.90 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 0.00 627 H 9.03 4.82 0.00 3.42 3.42 0.00 5.82 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 0.00 628 L 8.89 4.33 0.00 1.89 1.95 1.04 0.98 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 0.00 629 V 8.87 3.46 1.56 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 -0.02 0.00 0.00 -0.17 0.00 0.00 630 G 7.33 4.31 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 0.00 631 Y 7.72 5.90 0.00 3.31 3.09 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 0.00 632 F 8.48 5.22 0.00 3.16 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 0.00 633 S 9.20 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0.00 0.00 0.00 0.00 691 Y 7.81 3.28 0.00 2.60 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 0.00 692 M 7.81 4.12 0.00 2.07 2.23 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.71 0.00 693 A 8.06 4.02 1.38 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 0.00 0.00 0.00 694 Y 7.91 3.95 0.00 2.91 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 0.00 695 W 8.55 4.27 0.00 3.46 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 0.00 696 K 8.22 3.91 0.00 1.81 1.86 0.00 1.70 0.00 0.00 1.76 0.00 0.00 3.09 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.55 1.81 7.81 697 S 7.66 3.90 0.00 4.26 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 0.00 698 V 7.54 3.41 1.72 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 0.85 0.00 0.00 0.07 0.00 0.00 699 I 7.85 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 713 I 8.08 3.78 1.84 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.42 0.86 0.00 0.00 714 K 7.93 3.94 0.00 1.96 2.05 0.00 1.49 0.00 0.00 1.73 0.00 0.00 2.87 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.48 7.81 715 K 7.83 3.87 0.00 1.82 1.96 0.00 1.53 0.00 0.00 1.57 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.42 1.48 7.81 716 L 7.81 3.89 0.00 2.03 1.79 0.89 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 717 S 8.10 4.52 0.00 3.93 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 0.00 718 K 7.75 4.00 0.00 1.94 1.86 0.00 1.75 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.68 7.81 719 L 7.80 4.21 0.00 1.62 1.71 0.91 0.81 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 0.00 720 T 7.32 4.32 4.43 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 1.21 0.00 0.00 721 G 8.60 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 0.00 722 I 6.97 4.13 1.67 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 0.68 0.86 0.52 0.00 0.00 723 C 8.18 4.48 0.00 3.28 3.25 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 0.00 724 P 0.00 4.15 0.00 2.13 2.12 0.00 3.58 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.13 0.00 725 Q 7.93 3.85 0.00 2.10 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.92 0.00 0.00 0.00 0.00 0.00 2.39 2.42 0.00 726 D 7.66 3.73 0.00 2.00 1.54 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 0.00 727 I 7.25 3.49 1.86 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 1.38 0.30 0.83 0.00 0.00 728 T 7.91 3.81 4.31 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 1.18 0.00 0.00 729 S 8.19 4.16 0.00 4.04 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 0.00 730 T 7.91 3.96 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 1.33 0.00 0.00 731 L 8.36 4.01 0.00 1.82 1.72 0.89 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 0.00 732 H 8.47 4.06 0.00 3.27 3.49 0.00 5.60 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 733 H 8.25 4.09 0.00 3.33 3.58 0.00 5.99 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 0.00 734 L 7.89 4.30 0.00 1.81 1.68 0.96 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 735 R 7.62 3.66 0.00 1.94 1.95 0.00 3.12 0.00 0.00 3.17 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.69 0.00 736 M 8.56 4.73 0.00 2.01 2.06 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 2.48 0.00 737 L 7.52 4.35 0.00 1.56 1.58 0.91 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 *747 I 7.53 3.84 1.99 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 1.41 0.65 0.90 0.00 0.00 748 R 8.47 4.20 0.00 1.79 2.00 0.00 3.17 0.00 0.00 3.21 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 749 R 8.23 4.41 0.00 1.84 1.88 0.00 3.26 0.00 0.00 3.46 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 750 E 8.43 3.95 0.00 1.98 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 2.40 2.32 0.00 751 K 8.12 3.84 0.00 1.87 1.83 0.00 1.61 0.00 0.00 1.75 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.52 1.76 7.81 752 L 7.85 3.98 0.00 1.80 1.83 0.93 1.07 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 0.00 753 I 7.73 3.71 2.08 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 1.56 0.58 1.15 0.00 0.00 754 Q 8.40 4.04 0.00 2.07 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.80 0.00 0.00 0.00 0.00 0.00 2.64 2.60 0.00 755 D 8.14 4.35 0.00 2.80 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 0.00 756 H 8.24 4.09 0.00 3.25 3.44 0.00 5.79 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 757 M 7.78 3.72 0.00 1.66 1.93 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.81 0.00 758 A 7.64 4.07 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 0.00 759 K 7.86 3.93 0.00 1.72 1.97 0.00 1.83 0.00 0.00 1.61 0.00 0.00 3.00 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.43 7.81 760 L 7.26 3.99 0.00 1.55 1.33 0.88 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 761 Q 8.63 3.87 0.00 2.21 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.77 0.00 0.00 0.00 0.00 0.00 2.19 2.25 0.00 762 L 7.27 4.29 0.00 1.61 1.94 0.90 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 *765 R 7.50 4.15 0.00 1.91 1.87 0.00 3.27 0.00 0.00 3.50 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.65 0.00 766 P 0.00 4.33 0.00 2.19 2.16 0.00 3.73 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.91 0.00 767 V 6.92 4.24 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 0.48 0.00 0.00 0.50 0.00 0.00 768 D 8.54 4.83 0.00 2.86 2.59 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 0.00 0.00 0.00 0.00 769 V 8.50 3.65 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 0.67 0.00 0.00 -0.03 0.00 0.00 770 D 9.31 4.91 0.00 2.90 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 0.00 771 P 0.00 4.34 0.00 2.26 2.13 0.00 3.71 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.14 0.00 772 E 8.11 4.18 0.00 2.08 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 2.38 2.32 0.00 773 C 8.37 4.30 0.00 2.72 2.62 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 0.00 774 L 7.78 4.86 0.00 1.95 1.75 1.03 1.19 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 0.00 775 R 9.02 4.65 0.00 1.87 1.92 0.00 3.38 0.00 0.00 3.16 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.70 0.00 776 W 7.90 4.79 0.00 3.24 3.08 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.