NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 501 S 4.4640 8.1933 115.4124 57.6934 64.6666 174.2361 502 N 4.0829 8.7491 118.8119 56.3390 38.1459 176.0734 503 A 4.0391 8.7399 123.0495 55.0373 19.0018 178.8461 504 D 4.2811 7.9967 117.2042 57.3748 40.8776 179.0550 505 K 3.9007 8.0181 119.9200 59.5635 32.2545 178.5963 506 S 4.2908 8.4339 113.8954 61.6722 62.2604 175.5472 507 N 4.2673 8.5301 122.1424 57.2698 38.5806 177.6444 508 K 3.9915 7.9487 124.7271 59.9056 31.8389 181.0933 509 L 4.3155 8.1999 120.8382 57.4869 41.4226 179.3902 510 Q 3.4158 8.7372 120.0561 59.0211 28.8632 177.9590 511 N 4.2274 8.0032 117.9225 56.6094 38.9852 176.6793 512 L 3.9908 8.0825 120.3857 57.9671 41.6983 179.7497 513 V 3.5952 8.2227 118.0603 65.9555 31.4309 177.9166 514 A 3.6201 8.3632 120.8564 55.0440 18.1766 179.5002 515 E 3.9406 8.3760 117.2070 59.4901 29.4156 179.3357 516 Q 3.9334 8.0385 119.5750 59.1667 29.1567 178.3625 517 L 3.7001 7.8146 120.1215 57.6780 41.4740 179.5217 518 V 4.2278 7.4894 119.7734 65.6016 31.2249 178.3467 519 G 3.6793 8.2534 104.2964 47.3906 0.0000 174.4289 520 C 4.6645 7.5765 116.6339 59.5366 28.5374 174.3459 521 G 4.0773 8.1888 109.4181 44.8755 0.0000 174.1589 522 F 4.5692 8.7041 118.7772 57.4182 40.6444 173.9760 523 N 5.2413 9.4953 118.9953 51.5116 41.2287 173.8220 524 E 3.6846 8.7126 124.5409 55.5212 30.5049 175.4244 525 I 4.4623 8.2413 119.3424 58.8780 40.9236 174.6532 526 L 4.7134 8.0741 123.5643 53.4942 44.5831 175.2193 527 N 5.0938 9.0587 122.8760 50.8188 42.1307 174.0907 528 N 4.5108 8.5178 117.4200 53.7035 39.1770 176.0461 529 S 4.4054 8.6388 118.2021 61.3324 63.4031 175.0978 530 L 4.3634 7.6875 119.7957 55.2024 42.4481 176.5854 531 T 4.6388 9.0032 116.9311 61.3642 71.8119 171.4236 532 R 4.6561 8.0621 119.7900 54.4115 31.5300 177.7780 533 A 4.0783 8.8163 125.8675 55.1873 18.4396 178.9785 534 A 3.9108 8.0281 118.8145 56.0137 17.9834 179.1931 535 Y 4.0248 7.4679 113.9265 60.8869 38.2204 177.6319 536 Y 4.6684 8.2000 115.3588 56.6664 38.2826 174.7883 537 D 4.5471 7.4314 121.0947 55.9168 41.3804 176.4589 538 G 4.0710 9.0345 115.5366 45.3006 0.0000 173.3529 539 L 4.3858 7.6918 120.1980 54.9216 42.3479 177.5878 540 E 4.2554 9.5594 124.5325 58.6142 30.1382 177.9404 541 S 4.2017 8.0199 112.1526 60.6438 63.2887 173.8274 542 Y 4.7036 7.6101 117.7470 54.5667 38.2180 172.2939 543 P 4.7278 0.0000 0.0000 61.6142 32.7013 177.5407 544 S 4.1874 9.1185 117.2929 61.3325 62.4062 176.4773 545 K 4.0903 8.1602 117.9289 59.3962 32.6822 176.9887 546 N 4.9282 8.3273 116.3685 52.9358 38.6575 174.6573 547 L 4.2696 7.5960 119.0918 54.1863 42.0937 177.1247 548 V 3.3087 7.6738 121.1805 62.0809 32.4479 175.0751 *550 L 4.0452 7.9756 123.2078 53.9369 42.6550 176.7154 551 L 3.9441 8.2943 122.0157 56.5648 43.1787 176.5058 552 N 4.2065 8.8201 120.2844 53.8639 35.4646 174.0977 553 P 4.2729 0.0000 0.0000 65.5622 32.0708 178.7934 554 L 4.1342 7.9086 117.4510 56.6779 41.7061 177.5562 555 S 4.6946 8.0814 113.6359 57.6604 63.1054 173.5715 556 A 4.5613 7.5650 122.1675 50.4593 21.8159 176.1874 557 D 4.3032 9.0026 123.5952 56.9739 41.3048 176.6044 558 L 4.5554 7.6665 121.4620 53.4935 41.8034 175.7170 559 N 5.1646 8.4136 119.8346 51.9997 39.3855 173.4126 560 C 4.6564 7.4474 119.8868 59.1992 34.9006 175.7872 *562 R 4.5670 8.4871 114.3404 56.1358 29.7297 175.9536 563 Q 4.5314 8.8664 119.1500 56.7990 29.5233 176.0113 564 T 4.4509 7.5059 110.1143 59.2159 70.0452 174.0464 565 L 4.2934 8.3549 125.8740 56.0399 41.9067 178.9705 566 L 3.5539 7.5778 121.6158 58.3352 41.7908 178.9948 567 F 3.7007 7.3044 116.9212 60.1734 38.7302 177.7923 568 G 3.6257 8.1044 105.1866 47.6674 0.0000 175.8849 569 G 2.0000 7.3995 107.4521 46.8066 0.0000 175.9335 570 L 3.7360 7.2460 121.0311 57.3282 41.5647 179.1799 571 E 4.0012 7.8996 118.6097 59.7623 29.2318 179.6986 572 S 3.9681 7.6079 113.6790 61.4072 62.9925 176.6030 573 I 4.0080 7.9885 122.5868 64.3968 36.6896 177.9749 574 A 3.9997 7.8033 120.1743 55.8570 18.2840 179.0316 575 H 4.2598 8.0522 114.2269 57.4600 30.3415 175.6987 576 N 5.1793 8.1608 117.7393 52.2988 38.0846 178.1422 *583 D 4.2820 8.6136 132.9380 55.1107 40.8752 174.0829 584 L 4.1708 8.3672 124.6800 53.5961 43.7476 176.3309 585 K 4.6120 7.7417 120.3727 54.6864 35.7172 175.2542 586 F 6.2079 9.5342 123.9124 55.9774 43.3353 174.1631 587 F 5.8496 9.0630 115.1446 55.9154 41.9839 173.0602 588 E 4.8450 9.2222 120.5809 55.2023 33.2194 173.6694 589 F 4.7018 8.8068 125.9242 56.2967 40.5190 175.3798 590 G 3.9606 7.7729 107.8556 45.4050 0.0000 172.5111 591 N 5.0832 9.0965 119.2011 53.3839 39.4752 174.3020 592 C 5.1263 8.9357 119.6670 58.1727 32.5162 172.5054 593 Y 5.2499 8.9160 117.9258 56.7780 41.6089 174.3604 594 H 4.9181 8.6645 117.0491 54.7895 32.5342 172.3185 595 F 5.2415 8.3775 118.8913 56.6002 39.8859 175.1351 *609 Y 4.9016 8.3397 124.0519 57.5702 39.8636 173.8182 610 S 4.4487 8.1998 120.7066 56.4170 66.3329 172.1006 611 E 4.7751 8.5507 125.4001 54.5828 31.6956 175.0479 612 D 4.9555 8.6646 123.9044 52.5729 44.8306 174.1878 613 Y 4.8659 8.7255 123.7846 57.3377 40.5223 173.7313 614 H 5.1338 8.8522 122.4108 53.8809 33.7108 171.9277 615 L 4.5197 8.8607 122.7737 53.2124 44.3071 175.2857 616 G 4.0001 8.8850 114.0302 44.2963 0.0000 172.1418 617 L 5.5799 7.9785 122.4789 52.4384 45.8922 175.5459 618 W 5.4453 10.0750 123.1036 54.9736 32.8986 174.5709 619 V 4.8460 9.4199 124.5930 61.3738 33.9057 174.9070 620 T 4.8491 8.5663 118.7020 61.6081 70.4320 173.8239 621 G 4.0848 8.3668 108.9728 46.4746 0.0000 171.7688 *625 S 4.4680 8.3149 112.7807 58.3947 63.7616 172.4259 626 N 4.9067 8.5965 114.3683 53.7530 40.5785 175.2309 627 S 4.5106 8.1370 115.6295 57.4132 63.7720 174.9638 628 W 4.1480 9.0563 133.9469 60.5160 30.6353 176.9270 629 A 4.2269 8.2716 119.8161 55.2425 18.8144 177.5092 630 H 4.7899 7.1892 116.2893 55.8366 27.2862 176.3590 *635 T 4.0214 8.2939 122.0913 63.0568 67.7863 172.6267 636 S 4.4966 7.5208 120.1020 56.8087 65.2350 176.7704 637 V 3.5226 7.8399 121.4078 64.4167 31.2123 178.1640 *638 Y 3.9421 7.6263 122.7095 62.0266 36.6277 183.7390 639 E 3.9044 7.8395 118.9338 59.0128 29.7425 178.9233 640 L 4.0823 7.6413 120.8283 57.6866 42.2719 178.3607 641 K 2.9278 7.9019 119.4230 59.3549 31.9739 178.3306 642 A 3.7827 7.6100 120.6074 55.3731 18.2499 179.1462 643 Y 4.0657 7.3748 115.1052 61.2290 37.8417 179.1570 644 V 3.0847 7.5272 119.0583 65.7256 31.4752 177.6855 645 E 3.7545 8.1931 119.4101 59.3422 29.4883 178.5918 646 N 4.3409 8.2090 116.5216 55.9964 38.5102 177.6586 647 I 3.7044 7.4387 121.4469 64.3668 37.2693 178.0823 648 F 4.4830 8.0705 118.9601 60.8844 38.6870 178.0502 649 K 3.9895 8.3282 117.7811 59.5558 31.6753 179.1850 650 R 3.9069 7.8301 117.6381 59.2254 29.9145 177.4090 651 L 4.4688 7.6661 115.8001 53.6511 41.8358 176.9320 652 G 3.8839 8.0698 106.8973 46.0706 0.0000 173.7784 653 L 3.8397 7.7974 121.8000 54.2779 42.4618 176.2334 654 D 4.4946 8.4892 125.6779 53.4338 41.0153 176.3049 655 L 3.9264 8.5126 128.2797 58.2196 41.7836 179.3906 656 H 4.4189 8.2082 113.8256 57.6080 27.5154 175.8960 657 S 4.5416 7.8087 113.7865 58.1118 63.4134 173.4727 658 L 4.6601 7.4195 121.2442 54.2275 42.8386 176.1732 659 V 4.3175 8.5501 122.8397 61.1873 33.5855 174.3802 660 V 4.8579 8.5015 127.6825 61.2312 33.6565 174.5759 661 G 4.2849 8.7563 113.0540 44.6434 0.0000 171.0576 662 N 5.3334 8.5219 116.9342 52.0794 40.8926 174.7113 663 L 4.6062 8.3922 121.8699 53.9549 46.1081 174.3485 664 S 5.2566 8.5552 120.1214 56.9524 65.0267 172.6277 665 D 4.6528 9.1048 125.8633 52.9143 41.6370 175.2049 666 D 4.1954 8.8412 117.5858 56.1834 39.9081 177.1671 667 I 3.9764 7.7750 120.6126 62.9447 38.1599 174.7047 668 Y 5.3125 8.9368 118.9912 56.2932 39.4986 177.1119 669 S 4.2833 9.2560 120.1570 61.4279 63.9607 174.9689 670 T 4.9818 7.8932 115.5475 61.7090 72.9906 172.8845 671 A 4.7413 8.8710 125.4358 50.7942 23.4345 174.7493 672 L 5.0037 7.9033 119.2871 53.0737 44.5062 175.9663 673 T 4.8297 8.5289 113.0869 59.9036 71.9108 173.4167 674 V 4.8454 8.9711 123.6341 61.4203 34.4880 174.0952 675 N 5.5973 9.1266 125.3271 51.1762 42.5438 174.3498 676 T 4.2594 8.5939 113.5556 62.1617 69.9455 175.9547 677 K 3.8369 8.0460 125.9416 58.7629 31.1738 179.4883 678 G 3.5669 8.1612 107.3431 46.3414 0.0000 174.1308 679 G 4.0671 7.8043 107.1640 45.0399 0.0000 174.1062 680 K 4.0912 8.2362 120.9995 55.6081 32.5935 176.4501 681 R 4.8771 8.4672 123.9640 56.0900 30.6460 175.5125 682 L 4.6229 9.0121 125.3153 56.2810 44.0504 176.2276 683 A 5.1326 7.5999 117.2382 51.5788 22.7988 175.4468 684 T 5.0420 8.7191 115.6291 61.9394 73.1969 173.3148 685 F 5.1636 7.6804 119.5235 55.4462 41.6591 174.5483 686 G 4.2462 8.4572 107.5712 46.4765 0.0000 170.9033 687 V 4.7079 8.0767 121.8193 61.3127 33.1453 177.0865 688 V 4.2778 8.3166 129.1063 62.6055 32.0535 175.8580 689 T 3.9873 8.7342 120.7841 62.6042 68.6644 175.1982 690 K 4.0601 8.8590 124.9789 57.7062 32.2131 178.9425 691 K 4.2734 8.0053 115.7547 57.5045 31.7819 177.9482 *693 L 4.3483 7.9875 119.2396 54.3860 43.8594 179.1134 694 K 3.8455 8.3827 117.8339 59.5143 32.2452 178.9637 695 A 3.8576 7.9893 120.3783 55.0675 18.2568 178.1319 696 F 4.4377 8.2213 111.4454 57.0807 38.9505 175.3396 697 D 4.3988 7.7866 118.1870 55.3729 38.5489 173.5751 698 V 4.2007 8.0292 119.1799 61.2589 32.5723 175.5135 699 D 4.7032 8.5469 127.2728 53.6109 42.9926 177.4273 700 N 3.8112 8.2479 117.0243 55.1307 37.6736 173.6828 701 E 4.6754 8.3947 121.2798 55.4997 33.1648 175.1985 702 V 4.7204 7.7904 121.5348 61.3742 35.1160 173.3853 703 Y 5.2919 9.3279 126.0223 56.6106 40.2171 174.0723 704 Y 5.3932 9.3445 124.7654 55.7132 42.3986 173.8571 705 A 4.9712 8.2977 127.1407 49.9151 22.7980 174.2899 706 D 4.7804 8.8387 121.4301 52.3780 44.0984 174.3299 707 L 5.0571 8.8114 126.9340 53.2010 44.1955 176.1658 708 N 4.8270 9.2915 123.6610 51.5815 37.8050 174.8363 709 W 4.2919 9.0091 135.0000 60.7062 31.2995 178.7202 710 K 4.0392 7.9995 117.5990 57.8593 31.0444 179.9163 711 E 4.1282 8.0100 117.5448 58.1612 29.6402 177.1843 712 L 4.0637 7.5930 123.3951 54.7300 41.6986 176.3490 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 501 S 8.19 4.46 0.00 4.02 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 0.00 502 N 8.75 4.08 0.00 2.83 2.93 0.00 0.00 6.71 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 503 A 8.74 4.04 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 504 D 8.00 4.28 0.00 2.95 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 0.00 505 K 8.02 3.90 0.00 1.84 1.97 0.00 1.63 0.00 0.00 1.55 0.00 0.00 2.87 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.44 7.81 506 S 8.43 4.29 0.00 4.01 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 507 N 8.53 4.27 0.00 2.90 2.99 0.00 0.00 7.39 6.56 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 0.00 508 K 7.95 3.99 0.00 1.84 1.80 0.00 1.87 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.37 1.35 7.81 509 L 8.20 4.32 0.00 1.96 1.97 0.87 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 510 Q 8.74 3.42 0.00 1.49 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.80 0.00 0.00 0.00 0.00 0.00 1.55 1.16 0.00 511 N 8.00 4.23 0.00 2.95 2.92 0.00 0.00 7.27 6.79 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 0.00 512 L 8.08 3.99 0.00 1.98 1.76 0.94 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 513 V 8.22 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 1.08 0.00 0.00 1.27 0.00 0.00 514 A 8.36 3.62 1.62 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 0.00 0.00 515 E 8.38 3.94 0.00 2.21 2.03 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 2.37 2.51 0.00 516 Q 8.04 3.93 0.00 2.12 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.31 2.40 0.00 517 L 7.81 3.70 0.00 0.85 0.85 -0.32 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 518 V 7.49 4.23 2.39 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 1.42 0.00 0.00 1.29 0.00 0.00 519 G 8.25 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 520 C 7.58 4.66 0.00 3.30 3.27 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 0.00 0.00 0.00 0.00 521 G 8.19 4.08 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 0.00 0.00 0.00 522 F 8.70 4.57 0.00 3.14 3.44 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 0.00 523 N 9.50 5.24 0.00 2.94 2.78 0.00 0.00 6.87 7.28 0.00 0.00 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 E 8.71 3.68 0.00 1.45 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 0.00 1.99 1.55 0.00 525 I 8.24 4.46 1.41 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.69 0.01 0.00 0.00 526 L 8.07 4.71 0.00 1.48 1.44 0.89 0.91 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 0.00 527 N 9.06 5.09 0.00 2.73 2.63 0.00 0.00 7.10 8.02 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 0.00 528 N 8.52 4.51 0.00 2.71 3.04 0.00 0.00 6.99 7.57 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 0.00 529 S 8.64 4.41 0.00 3.90 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 530 L 7.69 4.36 0.00 1.52 1.58 0.90 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 531 T 9.00 4.64 4.42 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 1.54 0.00 0.00 532 R 8.06 4.66 0.00 0.67 1.35 0.00 2.65 0.00 0.00 3.05 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.25 0.00 533 A 8.82 4.08 1.36 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 0.00 0.00 534 A 8.03 3.91 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 535 Y 7.47 4.02 0.00 2.50 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 0.00 536 Y 8.20 4.67 0.00 3.16 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 0.00 537 D 7.43 4.55 0.00 2.69 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 0.00 538 G 9.03 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 0.00 0.00 0.00 539 L 7.69 4.39 0.00 2.11 1.80 1.23 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 540 E 9.56 4.26 0.00 1.93 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 2.30 2.30 0.00 541 S 8.02 4.20 0.00 3.87 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 644 V 7.53 3.08 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 0.08 0.00 0.00 0.41 0.00 0.00 645 E 8.19 3.75 0.00 1.98 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 2.38 0.00 646 N 8.21 4.34 0.00 2.87 2.83 0.00 0.00 7.04 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 647 I 7.44 3.70 1.79 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.80 1.03 0.00 0.00 648 F 8.07 4.48 0.00 3.15 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 0.00 649 K 8.33 3.99 0.00 1.81 1.87 0.00 1.70 0.00 0.00 1.74 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.48 7.81 650 R 7.83 3.91 0.00 1.93 2.20 0.00 3.31 0.00 0.00 3.25 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.79 0.00 651 L 7.67 4.47 0.00 1.78 1.54 0.61 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 652 G 8.07 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.96 0.00 0.00 661 G 8.76 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 662 N 8.52 5.33 0.00 2.57 2.70 0.00 0.00 6.62 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 0.00 663 L 8.39 4.61 0.00 1.57 1.28 0.85 0.78 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 0.00 664 S 8.56 5.26 0.00 3.88 3.69 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 0.00 665 D 9.10 4.65 0.00 2.89 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 0.00 666 D 8.84 4.20 0.00 2.88 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 667 I 7.78 3.98 1.73 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.34 0.03 0.00 0.00 668 Y 8.94 5.31 0.00 2.86 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 0.00 669 S 9.26 4.28 0.00 3.90 4.03 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 0.00 670 T 7.89 4.98 4.28 0.00 0.00 0.00 0.00 0.00 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 0.00 671 A 8.87 4.74 0.48 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 0.00 0.00 672 L 7.90 5.00 0.00 0.43 1.14 0.90 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 673 T 8.53 4.83 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 674 V 8.97 4.85 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 0.95 0.00 0.00 1.20 0.00 0.00 675 N 9.13 5.60 0.00 2.69 2.62 0.00 0.00 6.32 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 676 T 8.59 4.26 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 1.17 0.00 0.00 677 K 8.05 3.84 0.00 1.62 1.81 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.84 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.32 7.81 678 G 8.16 3.57 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 0.00 0.00 0.00 679 G 7.80 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 0.00 0.00 0.00 680 K 8.24 4.09 0.00 1.82 1.73 0.00 1.65 0.00 0.00 1.73 0.00 0.00 2.95 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.45 1.36 7.81 681 R 8.47 4.88 0.00 1.75 1.86 0.00 3.24 0.00 0.00 4.01 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 682 L 9.01 4.62 0.00 1.64 1.61 0.66 0.66 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 0.00 683 A 7.60 5.13 1.51 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 0.00 684 T 8.72 5.04 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 0.88 0.00 0.00 685 F 7.68 5.16 0.00 3.07 2.96 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 0.00 686 G 8.46 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 0.00 0.00 0.00 0.00 687 V 8.08 4.71 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 0.94 0.00 0.00 1.19 0.00 0.00 688 V 8.32 4.28 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.89 0.00 0.00 689 T 8.73 3.99 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 1.30 0.00 0.00 690 K 8.86 4.06 0.00 1.70 1.87 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.80 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.00 7.81 691 K 8.01 4.27 0.00 1.79 1.81 0.00 1.73 0.00 0.00 1.84 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.53 1.48 7.81 *693 L 7.99 4.35 0.00 1.92 1.93 0.88 0.90 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 0.00 694 K 8.38 3.85 0.00 2.09 1.86 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.63 7.81 695 A 7.99 3.86 1.14 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 0.00 0.00 696 F 8.22 4.44 0.00 2.98 3.04 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 0.00 697 D 7.79 4.40 0.00 2.88 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 0.00 698 V 8.03 4.20 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 0.77 0.00 0.00 1.02 0.00 0.00 699 D 8.55 4.70 0.00 2.70 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 700 N 8.25 3.81 0.00 2.79 2.62 0.00 0.00 6.69 7.66 0.00 0.00 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 E 8.39 4.68 0.00 1.63 1.33 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 2.26 2.23 0.00 702 V 7.79 4.72 2.03 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 1.17 0.00 0.00 0.91 0.00 0.00 703 Y 9.33 5.29 0.00 3.10 2.99 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 0.00 704 Y 9.34 5.39 0.00 2.89 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 0.00 705 A 8.30 4.97 1.02 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 0.00 706 D 8.84 4.78 0.00 2.43 2.41 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 0.00 707 L 8.81 5.06 0.00 1.69 1.72 0.77 0.24 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 0.00 708 N 9.29 4.83 0.00 2.73 2.74 0.00 0.00 6.49 7.51 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 0.00 709 W 9.01 4.29 0.00 3.60 3.52 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 0.00 0.00 0.00 0.00 710 K 8.00 4.04 0.00 1.83 1.73 0.00 1.87 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.40 1.30 7.81 711 E 8.01 4.13 0.00 2.05 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 2.51 2.43 0.00 712 L 7.59 4.06 0.00 1.34 1.29 1.05 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 * Residues marked with a * may have inaccurate shift predictions.