NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 577 N 4.8014 8.4249 117.7926 52.3943 39.1744 173.1419 578 R 4.6881 7.3621 118.4939 52.8205 34.6044 174.2493 579 W 4.2037 9.0247 130.5707 57.4490 32.1470 175.2641 580 V 4.0114 7.2310 124.4579 60.0118 33.4983 173.4133 581 P 3.8670 0.0000 0.0000 62.4488 32.7896 178.5047 582 K 4.3485 7.9052 130.7916 55.2115 30.6326 180.3788 *597 K 4.3740 8.6038 117.3892 55.7427 34.1069 174.4244 598 T 3.3845 7.7023 106.8158 62.0090 67.6644 172.1240 599 E 4.5777 7.1313 120.0243 56.3920 32.7581 173.8572 600 L 4.8746 8.3955 126.5605 53.1116 45.2992 175.4135 601 L 5.0054 8.4453 122.1216 50.9307 45.1828 177.0355 602 D 4.6301 8.8884 123.4306 53.1266 41.6287 177.2606 603 K 3.9857 8.4012 118.7436 59.8169 32.0670 178.1025 604 D 4.3625 8.1492 117.3303 57.8678 40.7316 178.5159 605 E 3.9771 8.6754 118.5011 58.9194 29.5132 179.0116 606 V 3.9365 7.7269 117.6325 64.5140 31.7837 177.4849 607 E 4.4874 8.1002 119.6021 57.9836 29.4371 179.1595 608 R 3.9553 8.1771 118.4472 59.2718 30.2553 179.0737 609 K 4.0077 7.7947 118.2830 59.7065 31.8868 179.3649 610 M 4.0806 7.7564 117.7888 57.9313 31.8381 178.7242 611 K 3.8982 8.1926 118.8289 59.6953 32.0798 179.2499 612 S 4.0762 7.9258 111.7085 61.4528 62.2738 175.8981 613 L 4.1279 8.2635 121.9288 57.5482 40.8642 179.3067 614 L 4.2457 8.3802 119.3694 57.4508 41.4219 179.0012 615 N 4.4713 8.3438 115.8490 55.3271 38.5486 176.5659 616 K 4.4322 7.2144 116.5377 55.4070 32.7066 176.2684 617 L 3.8571 7.0617 120.9189 55.1765 41.6563 175.7116 618 T 4.4395 7.8066 115.0526 59.0783 72.0144 173.8612 619 L 4.0263 8.4139 122.6853 58.2845 42.2773 178.2458 620 E 3.9548 8.3032 117.6081 59.8023 29.7995 178.1838 621 M 4.5277 7.9419 117.0023 55.4889 32.5164 178.4965 622 F 3.9195 7.8759 122.2447 61.6082 39.5283 176.6081 623 D 4.3343 8.3768 117.7599 57.4347 40.1758 178.6126 624 A 3.9721 8.0198 120.6773 54.9426 18.4366 179.1102 625 I 3.9692 7.4460 117.2922 62.9611 37.8386 178.1063 626 S 4.0937 8.4279 115.5973 60.1749 62.7652 176.4432 627 S 4.2614 7.7004 118.6456 61.3368 62.8859 176.2568 628 E 3.9756 7.8363 121.3181 59.1238 29.2716 179.2813 629 I 3.7300 7.7846 119.7502 63.7951 37.0433 177.8639 630 L 4.1335 7.4977 119.5080 57.2148 41.7413 178.4595 631 A 4.0649 7.5045 120.3064 54.7993 18.2789 179.3289 632 I 3.8891 7.6013 118.5698 64.3405 37.0903 178.3590 633 A 4.0482 7.9991 121.6521 55.2751 18.2545 179.3842 634 N 4.3818 8.4605 114.5187 55.7471 38.6459 177.2434 635 I 3.9769 7.5589 121.4158 64.3857 37.1546 177.5050 636 S 4.6384 7.8765 114.7186 59.9740 62.3454 176.4570 637 V 3.5306 7.4950 115.7950 63.3880 31.1304 176.4328 638 W 4.9034 7.5428 116.8749 56.5943 29.0385 175.2699 639 E 4.9255 7.9055 117.2187 55.3753 33.2592 175.2781 640 T 4.5767 8.4525 113.2802 63.9169 70.9110 175.4547 641 N 5.8456 7.4934 117.0351 51.7920 39.4320 174.2677 642 G 4.3549 8.7733 104.0513 44.9770 0.0000 176.1927 643 E 3.9908 8.2798 120.0964 59.2484 29.4871 178.2322 644 T 4.0896 8.1245 116.1878 65.9549 68.7871 176.8300 645 L 4.0453 7.7965 122.4821 58.1217 42.2546 179.0275 646 K 4.1038 8.6359 118.4452 59.6193 31.8644 179.1451 647 A 4.0591 7.7536 120.3067 54.8282 18.2931 179.9339 648 V 3.5366 8.0059 116.8273 66.2968 31.6909 178.1166 649 I 3.8626 7.9234 119.5791 64.7650 37.0562 178.0656 650 E 3.9656 8.2114 119.5633 59.2025 29.2585 178.7305 651 Q 4.1144 7.9500 117.8694 58.5072 28.7778 178.4115 652 I 3.7281 7.7981 121.1838 64.1316 37.0172 178.4640 653 F 3.6153 8.4857 118.8087 60.3802 38.5512 177.6489 654 L 3.9521 7.6804 117.3638 57.6602 41.7374 179.5623 655 K 3.9080 7.8838 118.0443 59.3636 31.9481 179.2877 656 A 3.6075 7.4413 121.2661 55.2072 17.8307 179.4910 657 C 4.1596 7.8929 114.2160 62.0365 28.2411 174.9619 658 D 4.7478 7.5336 117.8261 53.9020 42.6629 176.0734 659 E 4.8407 7.6661 117.2189 53.5549 30.3482 174.8187 660 P 4.3911 0.0000 0.0000 66.3660 31.6313 177.8558 661 H 3.9517 8.1197 115.2787 58.0379 29.8778 176.0364 662 W 4.7754 8.2632 118.8426 56.3932 29.4328 177.6173 663 S 4.4619 8.2889 118.1805 61.9109 62.4007 176.5736 664 S 3.7781 7.7140 115.6808 60.3663 63.1395 176.0677 665 M 3.9782 7.7499 121.6361 58.6341 32.1086 177.6277 666 Y 4.3682 8.0588 116.8146 61.0744 37.9654 178.1846 667 A 4.2414 8.7406 121.8915 55.2709 18.3954 179.7313 668 Q 4.0409 8.0536 116.3956 58.8384 28.8970 178.2277 669 L 4.1254 8.2350 121.5770 58.4315 41.9789 178.9910 670 C 4.3435 8.3907 116.6252 62.9689 28.2922 176.1054 671 G 3.7915 7.9856 107.0194 47.9642 0.0000 175.4253 672 K 4.1103 8.1523 121.5894 59.1657 32.3175 179.2008 673 V 3.6453 7.7550 118.6285 65.8130 30.9703 178.2507 674 V 3.6144 8.1690 118.4603 65.7225 31.1258 177.9362 675 K 4.0553 7.8491 118.0857 58.4686 32.2385 177.7319 676 E 4.5367 7.8336 115.1887 54.8083 30.4764 175.9921 677 L 3.9876 7.1794 121.2760 54.6415 42.7069 176.2482 678 N 4.3569 8.6505 124.0906 53.2343 39.1665 173.5425 679 P 4.3637 0.0000 0.0000 65.1926 31.7193 177.7798 680 D 4.4731 7.7668 117.0392 55.6804 40.8262 176.4584 681 I 4.0597 7.3394 122.4311 60.6797 37.9326 175.0811 682 T 4.7512 8.1248 113.7309 59.7753 71.3468 172.8495 683 D 4.8161 8.4937 124.1243 53.0776 43.5558 176.6611 684 E 4.1412 9.0445 123.9953 58.4354 29.8203 174.0718 685 T 4.4048 7.5267 105.1302 62.0787 69.0160 174.5485 *689 K 4.0664 7.9254 120.8213 57.1202 32.8443 175.2157 690 T 4.6639 7.9592 112.6377 60.7358 72.7117 176.9603 691 G 3.7706 7.6510 109.5890 46.5758 0.0000 174.5037 692 P 4.4210 0.0000 0.0000 64.7369 30.9077 177.8652 693 K 4.0603 7.9765 116.3246 58.5302 31.8915 179.1530 694 L 3.9772 7.7105 120.9047 58.1920 42.1437 178.8334 695 V 3.4047 7.3227 117.6449 65.6663 31.5013 177.9190 696 L 4.0301 8.1512 119.0684 58.1860 41.5381 178.9989 697 H 4.2705 8.1047 118.0415 59.3509 29.6254 176.7528 698 Y 4.0319 8.4891 118.7671 61.0717 37.7982 178.5498 699 L 4.1646 8.3522 119.9799 57.9568 41.8508 179.5193 700 V 3.5293 7.6845 117.1284 66.2805 31.4805 177.6476 701 A 3.9749 7.9381 120.1702 55.4753 18.1213 179.5137 702 R 3.7659 7.9378 116.5254 59.0168 29.9169 178.5646 703 C 4.3012 7.7843 116.8695 63.0089 28.1196 175.4244 704 H 4.2551 8.2835 117.6027 58.8471 27.7652 177.6218 705 A 4.0092 7.9606 122.2601 55.4921 18.0989 179.6850 706 E 4.0668 8.0260 115.5839 59.2274 29.7829 179.2673 707 F 4.4365 9.3498 122.1389 61.5747 39.3516 176.8329 708 D 4.4577 8.4868 117.5188 57.3826 40.6620 178.4240 709 K 3.9889 7.4863 117.2967 59.3666 32.5224 178.1048 710 G 3.6533 8.5341 106.3432 45.9853 0.0000 171.9923 711 W 4.1863 7.1934 114.5797 56.5830 29.6107 173.3169 712 T 4.5349 8.4267 108.9542 59.7992 70.5008 174.0912 713 D 4.5016 8.7046 124.0351 57.1754 41.6152 176.7406 714 K 4.2201 8.0532 120.4410 56.3487 32.7120 176.8303 715 L 4.7985 8.3350 126.2657 52.3149 44.6748 171.6095 716 P 4.5273 0.0000 0.0000 63.8191 29.2600 178.7183 *730 S 4.4074 9.2673 110.8842 59.0872 64.8450 177.2675 731 E 3.9770 8.3981 120.9425 59.7242 28.6739 180.9845 732 E 4.4743 8.8627 115.7337 59.3814 30.4672 179.5566 733 Y 4.1387 8.0051 124.1327 62.2278 38.8908 178.0109 *734 Y 4.0274 8.0228 121.4407 61.8648 37.0084 181.5665 735 A 4.2082 8.1176 121.9175 54.2528 18.1157 178.6154 736 A 4.2903 7.4313 117.5287 53.1330 19.6456 179.0383 737 A 3.8380 7.4197 119.8146 54.9543 18.3972 179.8971 738 S 4.0508 7.9907 113.4112 61.2704 62.9078 176.6104 739 A 3.9387 7.6206 123.8826 54.7909 18.1006 179.6661 740 K 3.5060 7.6666 117.6313 59.3852 32.3445 178.7298 741 R 3.7137 7.8127 119.0725 59.8381 29.8994 178.6406 742 R 4.0776 8.2018 117.9803 58.8482 30.0094 179.0684 743 G 2.3143 7.3856 105.5319 47.5420 0.0000 175.7766 744 L 3.8775 7.5488 122.4155 56.9072 41.5493 179.8576 745 G 3.5817 8.2165 106.3080 47.4823 0.0000 175.6198 746 L 4.0384 7.6824 122.5244 58.2509 42.3445 179.3372 747 V 3.6505 7.7130 112.3802 64.5302 31.2758 178.6283 748 R 3.7194 7.8390 117.9585 59.2834 29.9274 178.4169 749 F 4.4886 8.1781 120.5195 61.2102 39.4053 176.9857 750 I 3.6106 8.5366 120.1381 64.5623 36.8424 178.5208 751 G 3.5559 7.6624 105.8532 47.7388 0.0000 175.5132 752 F 4.6897 7.6238 119.5629 59.6152 38.9083 178.0835 753 L 3.8029 7.6100 119.1538 57.7118 41.6214 178.4018 754 Y 4.1111 8.4561 119.8333 60.8433 38.4428 178.3559 755 R 4.3820 7.6850 118.0799 58.4290 30.3341 176.8241 756 L 4.3481 7.3638 115.2587 53.9649 41.7127 175.9627 757 N 4.1360 7.6996 115.0127 54.6709 36.1884 174.7828 758 L 4.6010 8.1296 115.8466 54.5975 42.3052 176.7589 759 L 4.7503 7.3653 117.6142 53.4306 45.6985 175.6396 760 T 4.5693 8.3768 111.8313 60.4313 70.6893 175.9810 761 G 4.1725 9.0758 109.1189 47.1011 0.0000 175.7362 762 K 4.1655 7.8851 120.5592 60.2685 32.4259 178.5524 763 M 4.0126 7.8560 117.2381 57.6969 32.2393 177.7030 764 M 3.7164 7.8366 118.0921 58.1128 32.3304 177.9889 765 F 4.1663 8.9744 118.7787 60.4630 39.1560 177.2377 766 E 4.1106 7.9380 118.4517 59.0134 29.3573 178.3836 767 C 4.0669 7.5887 118.5364 62.5377 31.7253 175.4319 768 F 4.1848 7.8706 119.2918 60.5741 37.9469 177.6357 769 R 4.0203 8.5879 118.8040 59.5459 29.3394 178.6278 770 R 3.9605 8.0597 118.3646 59.2995 30.1704 178.4963 771 L 4.0967 8.1479 118.8830 58.1198 41.2194 179.3144 772 M 4.1151 8.7273 119.0037 58.1639 31.5874 178.7587 773 K 3.9815 7.5163 118.0814 59.6534 32.4467 178.3451 774 D 4.4987 7.8130 117.3083 56.4697 40.5916 178.4590 775 L 3.9095 7.6799 119.0981 56.9044 41.7338 178.3268 776 T 4.3440 7.4376 106.8578 61.7173 70.7657 175.0278 777 D 4.7230 7.3537 122.8680 53.9901 39.8333 176.8924 778 S 3.5987 7.7880 110.3544 58.4644 61.5188 170.1319 779 P 4.6703 0.0000 0.0000 62.7589 32.3803 177.3612 780 S 4.5153 8.6061 117.7899 57.9021 65.3786 175.4310 781 E 4.0659 8.5703 121.2776 59.2598 29.1804 179.4298 782 E 3.9686 8.1428 118.5848 59.5186 29.5227 179.2445 783 T 3.9049 7.5878 114.3488 66.6699 68.6372 176.6526 784 L 3.9588 7.7363 120.3697 57.7238 41.6244 179.0177 785 E 3.9032 8.3452 119.3161 59.4725 29.5296 178.8873 786 S 4.0222 8.0835 112.9021 61.3525 62.4786 176.2493 787 V 3.5746 7.9454 120.9571 65.9507 31.2271 177.8955 788 V 3.5844 7.6539 117.7227 66.3523 31.3941 177.6188 789 E 3.9840 8.1535 118.1047 59.4372 29.2821 179.4225 790 L 3.7870 7.9514 120.0947 58.2118 42.2353 179.0748 791 L 4.4551 8.6512 119.1072 57.8363 41.2663 179.3004 792 N 4.6841 8.4129 116.4458 56.3881 38.6221 177.3934 793 T 4.1687 7.9592 116.4602 65.9895 68.8652 175.8168 794 V 4.4980 8.2925 110.7822 60.0291 33.7320 177.5795 795 G 3.5215 8.0710 108.1050 47.7609 0.0000 175.3575 796 E 2.5730 6.6646 121.1931 58.3905 29.2244 178.2199 797 Q 3.8951 7.8078 118.9929 59.4118 28.8756 178.2470 798 F 4.8551 8.4076 121.3870 60.2089 39.1144 175.9750 799 E 4.2307 7.9131 119.8234 58.1445 29.6378 175.7346 800 T 4.4565 6.8068 109.5057 59.5446 69.5369 172.2445 801 D 4.3783 7.9910 126.3364 54.6432 45.0291 174.7306 802 S 4.6061 9.0266 125.1304 57.2868 62.7592 170.7272 *812 G 3.5587 8.6722 118.2045 45.3406 0.0000 174.4937 813 S 4.3574 7.6921 120.5700 62.6315 61.9045 178.4582 814 Q 4.5925 7.9543 121.4317 57.7811 28.5409 178.1150 815 L 4.1115 7.7509 121.4622 57.8838 42.2802 178.5979 816 L 4.0971 7.7621 119.0203 57.6953 41.0738 178.7408 817 D 4.4370 8.2575 118.9353 57.8167 40.6187 179.0069 818 S 4.1912 7.5900 113.6622 61.7926 63.3625 176.4734 819 L 4.0732 8.0597 122.5957 58.3422 41.8264 179.0898 820 F 4.1141 8.9682 117.9499 60.0027 38.3112 177.7867 821 G 3.6716 8.0911 105.0084 47.2264 0.0000 175.7157 822 I 3.9579 7.5997 121.7480 63.7138 37.1581 178.1730 823 L 4.0599 7.6357 119.5745 57.5079 41.5701 178.7684 824 D 4.3583 8.3296 119.0723 57.2265 40.5149 178.2041 825 N 4.2545 7.6003 115.7372 56.9342 39.0084 176.3969 826 I 3.8324 7.7287 120.9928 64.5617 37.2742 178.5441 827 I 3.7817 8.0579 120.6109 64.3869 36.7206 177.8277 828 Q 4.6606 8.0849 118.7874 57.3808 28.8267 176.8981 829 T 4.6294 7.9487 111.9951 61.1362 76.4400 177.1241 830 A 4.0106 7.7066 126.5028 52.4178 19.2087 177.7121 831 K 4.3331 8.3685 121.4434 54.7280 31.7531 175.5871 832 I 4.6481 7.7090 118.6829 57.7111 40.8022 176.2910 833 S 4.1532 8.5266 116.9865 59.0096 64.4762 175.7080 834 S 3.7094 8.5716 119.7973 61.7415 62.3812 177.0743 835 R 3.9613 7.7825 120.6733 59.6881 29.9264 178.5763 836 I 3.7889 7.5883 119.0732 64.1110 37.0998 178.3396 837 K 3.9413 8.0117 120.5242 59.3503 31.9371 178.9047 838 F 4.6882 8.1689 118.3792 60.2210 38.9174 177.9215 839 K 4.0662 7.9273 118.2577 59.4942 31.9817 179.4127 840 L 4.0292 8.0752 119.2103 57.9650 41.6916 179.7204 841 I 3.8475 7.7614 119.2194 64.2863 36.9806 178.2446 842 D 4.4429 8.1257 119.8665 57.0620 40.6882 178.7620 843 I 3.8340 7.8609 113.6314 63.6747 37.7016 178.2409 844 K 4.1031 8.1361 121.3911 59.4281 31.9612 178.3915 845 E 4.0803 8.1590 119.2646 58.7832 29.5591 178.4320 846 L 3.7291 7.7714 120.6702 57.8657 42.2333 178.9325 847 R 2.5100 7.6801 118.9153 58.6215 29.6993 177.8046 848 H 4.1130 7.4466 116.5286 58.7076 30.1479 175.7294 849 D 4.4688 7.6669 117.9303 56.2521 41.4403 177.8678 850 K 4.0782 7.9995 116.0884 56.2661 32.4663 176.3329 851 N 4.0537 8.5620 115.0062 53.0204 37.3989 173.6163 852 W 4.0434 8.1608 121.4633 56.8314 29.5428 174.3531 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 577 N 8.42 4.80 0.00 2.76 2.73 0.00 0.00 6.48 6.77 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 0.00 578 R 7.36 4.69 0.00 1.86 1.89 0.00 3.40 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.66 0.00 579 W 9.02 4.20 0.00 3.21 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 0.00 580 V 7.23 4.01 1.82 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 0.73 0.00 0.00 0.90 0.00 0.00 581 P 0.00 3.87 0.00 1.94 1.86 0.00 3.48 0.00 0.00 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.96 0.00 582 K 7.91 4.35 0.00 1.78 1.36 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.36 1.00 7.81 *597 K 8.60 4.37 0.00 1.79 1.80 0.00 1.82 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.01 7.81 598 T 7.70 3.38 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 1.17 0.00 0.00 599 E 7.13 4.58 0.00 1.86 1.87 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 2.11 2.19 0.00 600 L 8.40 4.87 0.00 1.51 1.41 0.90 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 601 L 8.45 5.01 0.00 1.63 1.52 0.94 1.19 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 0.00 602 D 8.89 4.63 0.00 2.95 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 0.00 603 K 8.40 3.99 0.00 1.83 1.90 0.00 1.70 0.00 0.00 1.75 0.00 0.00 2.89 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.55 1.57 7.81 604 D 8.15 4.36 0.00 2.74 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 0.00 605 E 8.68 3.98 0.00 2.31 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 0.00 2.33 2.40 0.00 606 V 7.73 3.94 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 1.01 0.00 0.00 607 E 8.10 4.49 0.00 2.20 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 2.22 0.00 608 R 8.18 3.96 0.00 1.88 2.00 0.00 3.33 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.90 0.00 609 K 7.79 4.01 0.00 1.87 1.87 0.00 1.84 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.50 7.81 610 M 7.76 4.08 0.00 2.15 2.35 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.78 0.00 611 K 8.19 3.90 0.00 2.05 1.88 0.00 1.70 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.58 7.81 612 S 7.93 4.08 0.00 3.96 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 0.00 613 L 8.26 4.13 0.00 1.75 1.67 0.94 0.94 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 0.00 614 L 8.38 4.25 0.00 1.74 1.73 0.84 0.60 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 0.00 615 N 8.34 4.47 0.00 2.87 2.86 0.00 0.00 6.98 8.12 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 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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 0.00 0.00 0.00 625 I 7.45 3.97 1.93 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 1.51 0.50 0.81 0.00 0.00 626 S 8.43 4.09 0.00 3.66 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 0.00 627 S 7.70 4.26 0.00 4.01 4.41 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 0.00 628 E 7.84 3.98 0.00 2.03 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 2.30 2.58 0.00 629 I 7.78 3.73 1.82 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 1.39 0.92 0.92 0.00 0.00 630 L 7.50 4.13 0.00 1.86 1.88 0.97 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 631 A 7.50 4.06 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.60 3.89 2.03 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 1.47 0.97 0.94 0.00 0.00 633 A 8.00 4.05 1.39 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 0.00 0.00 0.00 634 N 8.46 4.38 0.00 2.87 2.89 0.00 0.00 7.01 6.92 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 0.00 635 I 7.56 3.98 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 1.65 1.36 1.03 0.00 0.00 636 S 7.88 4.64 0.00 3.98 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 0.00 637 V 7.50 3.53 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 0.56 0.00 0.00 -0.66 0.00 0.00 638 W 7.54 4.90 0.00 3.42 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 0.00 639 E 7.91 4.93 0.00 2.05 1.88 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 2.32 2.37 0.00 640 T 8.45 4.58 4.27 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 1.23 0.00 0.00 641 N 7.49 5.85 0.00 2.88 2.80 0.00 0.00 7.02 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 642 G 8.77 4.35 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 643 E 8.28 3.99 0.00 2.20 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 0.00 2.72 2.39 0.00 644 T 8.12 4.09 4.44 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 1.31 0.00 0.00 645 L 7.80 4.05 0.00 1.90 1.90 0.93 0.27 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 0.00 646 K 8.64 4.10 0.00 2.04 1.80 0.00 1.70 0.00 0.00 1.52 0.00 0.00 2.74 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.87 1.70 7.81 647 A 7.75 4.06 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 0.00 648 V 8.01 3.54 2.29 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 1.08 0.00 0.00 0.98 0.00 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0.00 797 Q 7.81 3.90 0.00 2.09 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.67 0.00 0.00 0.00 0.00 0.00 2.49 2.33 0.00 798 F 8.41 4.86 0.00 3.15 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 0.00 799 E 7.91 4.23 0.00 2.22 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.43 0.00 800 T 6.81 4.46 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 801 D 7.99 4.38 0.00 2.73 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 0.00 0.00 0.00 0.00 802 S 9.03 4.61 0.00 3.41 3.66 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 0.00 0.00 0.00 0.00 *812 G 8.67 3.56 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 813 S 7.69 4.36 0.00 3.75 3.89 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 0.00 0.00 0.00 814 Q 7.95 4.59 0.00 2.14 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.91 0.00 0.00 0.00 0.00 0.00 2.47 2.28 0.00 815 L 7.75 4.11 0.00 1.91 1.82 1.08 0.60 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 0.00 816 L 7.76 4.10 0.00 1.98 1.96 1.30 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 817 D 8.26 4.44 0.00 2.95 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 0.00 818 S 7.59 4.19 0.00 4.02 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 819 L 8.06 4.07 0.00 1.78 1.86 0.86 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 820 F 8.97 4.11 0.00 3.25 3.10 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 0.00 821 G 8.09 3.67 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 0.00 0.00 0.00 822 I 7.60 3.96 2.03 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 1.53 0.89 0.90 0.00 0.00 823 L 7.64 4.06 0.00 1.75 1.64 0.52 1.04 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 0.00 824 D 8.33 4.36 0.00 2.71 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 0.00 825 N 7.60 4.25 0.00 2.83 3.06 0.00 0.00 7.28 7.82 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 0.00 826 I 7.73 3.83 1.98 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 1.51 0.67 0.90 0.00 0.00 827 I 8.06 3.78 2.02 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.02 0.91 0.00 0.00 828 Q 8.08 4.66 0.00 2.03 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.80 6.70 0.00 0.00 0.00 0.00 0.00 2.38 2.52 0.00 829 T 7.95 4.63 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 1.21 0.00 0.00 830 A 7.71 4.01 1.27 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 0.00 0.00 831 K 8.37 4.33 0.00 1.70 1.75 0.00 1.71 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.32 1.38 7.81 832 I 7.71 4.65 1.83 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 1.43 0.78 0.89 0.00 0.00 833 S 8.53 4.15 0.00 4.05 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 0.00 834 S 8.57 3.71 0.00 3.72 3.43 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 0.00 835 R 7.78 3.96 0.00 1.88 1.92 0.00 3.21 0.00 0.00 3.36 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.80 0.00 836 I 7.59 3.79 1.84 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 1.39 1.12 0.90 0.00 0.00 837 K 8.01 3.94 0.00 1.68 1.60 0.00 1.57 0.00 0.00 1.53 0.00 0.00 2.46 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.42 7.81 838 F 8.17 4.69 0.00 3.32 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 0.00 839 K 7.93 4.07 0.00 1.98 1.90 0.00 1.70 0.00 0.00 1.68 0.00 0.00 3.17 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.52 1.67 7.81 840 L 8.08 4.03 0.00 1.72 1.72 0.91 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 841 I 7.76 3.85 2.06 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.24 0.97 0.00 0.00 842 D 8.13 4.44 0.00 2.96 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 0.00 843 I 7.86 3.83 2.12 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.36 1.10 0.00 0.00 844 K 8.14 4.10 0.00 2.18 2.03 0.00 1.62 0.00 0.00 1.53 0.00 0.00 2.84 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.67 1.82 7.81 845 E 8.16 4.08 0.00 2.10 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 2.24 2.45 0.00 846 L 7.77 3.73 0.00 1.84 1.56 0.90 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 847 R 7.68 2.51 0.00 0.67 1.16 0.00 3.31 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 1.13 0.00 848 H 7.45 4.11 0.00 3.00 3.30 0.00 5.79 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 849 D 7.67 4.47 0.00 2.80 2.64 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 0.00 850 K 8.00 4.08 0.00 1.76 1.81 0.00 1.85 0.00 0.00 1.59 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.38 1.47 7.81 851 N 8.56 4.05 0.00 2.77 2.87 0.00 0.00 7.45 7.95 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 0.00 852 W 8.16 4.04 0.00 3.44 3.32 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 * Residues marked with a * may have inaccurate shift predictions.