NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 670 Q 4.3466 8.3293 119.1211 54.3998 29.8451 175.6161 671 P 4.6144 0.0000 0.0000 63.0688 32.4522 176.0703 672 I 3.6778 7.8151 121.5389 64.7734 37.5014 178.8471 673 F 4.0957 8.2367 120.8446 61.5473 39.1459 177.0545 674 L 3.9311 8.0271 117.9448 57.6433 41.3860 178.8336 675 N 4.2634 8.5347 117.0329 56.4033 38.4272 177.5668 676 V 3.4940 7.6107 119.1705 66.0116 31.3748 178.0017 677 L 3.8945 7.5038 118.6940 57.9178 41.1917 179.5096 678 E 3.9986 8.2376 117.4449 59.3913 29.4943 179.0302 679 A 4.1794 8.0951 120.2661 54.3119 18.5392 178.6946 680 I 4.2852 7.6960 109.2599 59.8804 38.3433 175.6709 681 E 3.9810 7.4435 122.5314 56.0127 29.7404 174.9327 682 P 4.4244 0.0000 0.0000 62.6939 32.2103 176.7216 683 G 4.0280 7.9928 109.2376 44.1899 0.0000 173.2288 684 V 3.6289 8.2586 119.2091 62.9064 31.9633 176.1599 685 V 4.3442 8.1922 126.1332 61.1994 33.5007 174.7533 686 C 4.5729 8.4847 124.1709 58.8567 29.3704 173.4992 687 A 4.0978 8.8211 124.7123 52.9107 18.6020 179.2301 688 G 3.8826 8.6341 103.2241 45.9789 0.0000 173.2100 689 H 4.1377 8.1369 118.5955 55.9105 30.4994 174.9659 690 D 4.5239 8.0809 125.9153 53.0137 39.8444 176.2557 691 N 4.6084 8.3765 122.5426 54.2305 38.7863 176.0104 692 N 4.5320 8.4872 115.9676 53.8271 38.0608 175.4431 693 Q 4.1252 7.6776 121.2532 54.9122 29.7244 173.8545 694 P 4.3056 0.0000 0.0000 62.7180 31.8768 176.4653 695 D 4.5549 8.6788 121.8727 54.2646 39.9059 176.3080 696 S 4.8592 8.0882 118.8830 55.5114 67.3817 174.0220 697 F 4.1034 8.9085 124.6455 61.8492 39.0508 177.3323 698 A 3.9574 8.2581 119.1313 55.3166 18.3119 179.3510 699 A 3.9616 8.0169 119.1945 55.0263 18.3077 180.0061 700 L 3.7568 7.9834 117.6042 58.4405 41.8256 179.5267 701 H 4.0558 7.8285 115.8704 58.5088 28.4685 178.1471 702 S 3.9957 8.0539 117.3788 61.7044 62.6507 176.8679 703 S 4.1051 7.9755 117.7980 61.5214 62.4961 176.7598 704 L 3.8646 8.1106 122.1119 57.7289 41.2290 179.3345 705 N 4.1947 8.0887 116.5162 56.1100 38.3953 177.1210 706 E 3.8407 8.0548 120.7975 58.9332 29.7105 178.3452 707 L 3.9741 8.3160 121.0275 58.2437 42.0478 178.9372 708 G 3.8117 8.4989 105.7994 48.0910 0.0000 175.0202 709 E 3.8246 8.2426 122.0097 58.9547 29.3590 179.1382 710 R 3.9478 8.0055 118.1029 59.3605 30.0580 179.1230 711 Q 4.1452 8.6053 118.4130 58.6799 28.6566 178.3151 712 L 3.9037 8.2462 121.9296 58.0723 41.8010 178.9803 713 V 3.5327 7.6050 117.8316 66.6900 31.3927 177.8253 714 H 4.3704 7.8270 114.2568 58.6459 28.4434 177.9914 715 V 3.7486 8.2370 120.7879 65.8303 31.3212 178.3013 716 V 3.5896 8.0395 118.3000 65.9391 31.1517 178.2548 717 K 4.0502 7.5979 115.9942 58.8438 32.2976 179.0015 718 W 4.2290 8.3995 128.5593 60.4242 30.6563 177.8683 719 A 2.8925 8.3008 120.9319 54.8000 17.5285 179.7563 720 K 3.9707 7.6575 114.9480 58.4532 32.1321 178.2910 721 A 4.4590 7.0590 118.6982 50.9026 19.9676 177.1108 722 L 3.9747 6.9678 119.0289 53.3985 42.4058 174.9589 723 P 4.4399 0.0000 0.0000 64.4249 31.7502 177.3575 724 G 4.0459 9.0680 110.9724 45.6648 0.0000 174.8993 725 F 4.1557 8.1377 121.9066 61.5397 39.3272 176.7697 726 R 4.1921 8.1229 118.4015 57.8318 30.0652 177.7649 727 N 4.2497 8.2603 116.1185 54.4100 37.8315 181.2060 728 L 4.1924 7.2704 116.5762 54.7094 42.3380 177.0269 729 H 4.1104 8.9935 121.2194 56.8022 31.2422 176.4706 730 V 3.6219 8.5848 127.2428 65.4005 30.7952 178.3097 731 D 4.3548 8.4542 118.7503 57.3724 40.6117 178.3427 732 D 4.3583 7.9047 118.8532 57.0345 40.8260 178.3315 733 Q 3.7743 8.2579 119.0788 59.4819 28.7335 179.1184 734 M 4.0727 7.8775 118.7029 58.4280 32.1920 178.1397 735 A 3.4520 7.6652 121.0223 55.1778 18.6124 180.1487 736 V 3.7866 8.2093 111.2683 64.4449 31.0380 178.9824 737 I 3.8863 7.6844 120.0715 64.4970 36.7394 178.3969 738 Q 4.3401 8.0566 118.0535 58.7607 28.6139 177.6691 739 Y 4.6385 8.0712 117.8573 59.8969 38.5398 176.9259 740 S 4.6367 8.2888 113.4956 58.2099 63.6843 176.0295 741 W 4.3728 7.9495 120.9422 59.9454 27.7336 177.7820 742 M 3.5900 6.7839 118.5802 58.2143 31.5262 178.2938 743 G 3.5321 7.7664 105.1952 47.7152 0.0000 175.2496 744 L 4.0353 8.0079 121.5340 58.0786 41.6073 179.6853 745 M 4.1515 8.3475 118.4830 58.0387 31.9126 179.0712 746 V 3.5881 8.0937 118.6967 65.8873 31.7945 177.7256 747 F 4.3698 8.5788 120.3593 61.6071 39.2303 176.9699 748 A 4.2431 8.5924 120.6300 55.4181 18.0887 179.2833 749 M 4.0301 8.5076 117.2103 58.6115 32.1683 178.7430 750 G 3.6051 8.3177 106.1845 47.3240 0.0000 175.5719 751 W 3.0453 7.6792 130.5873 59.8393 30.5826 178.0669 752 R 3.5581 7.8483 118.0887 59.5314 29.5556 179.2601 753 S 3.9438 7.9610 114.6825 61.2261 62.6377 176.4631 754 F 4.6057 8.2869 125.1297 61.0244 38.9969 177.0665 755 T 3.0875 7.1026 106.8095 62.8888 68.6666 175.0642 756 N 4.4819 7.0946 118.1815 53.6226 40.4666 175.3903 757 V 4.2877 6.7161 112.2177 61.2352 33.2012 174.7336 758 N 4.1208 8.8551 113.8937 53.4050 37.4700 174.1455 759 S 3.8113 8.2969 108.6330 58.8988 61.0722 174.0760 760 R 4.0539 8.3946 119.5619 58.3757 29.5766 175.9834 761 M 4.7885 7.4668 115.7097 53.2213 36.3304 174.3425 762 L 4.0498 8.0988 119.8195 54.2477 41.4290 176.8604 763 Y 4.0763 8.5784 129.5163 55.9211 37.2237 175.7594 764 F 3.9821 7.8883 121.6442 59.9496 39.8746 175.5809 765 A 4.4994 7.4018 119.6169 50.1737 22.2405 175.0113 766 P 3.9479 0.0000 0.0000 64.4968 31.3889 177.4251 767 D 4.8125 7.8249 114.3284 52.9097 39.5221 177.0238 768 L 4.6972 7.8031 122.4212 54.1939 42.6721 173.2452 769 V 4.6793 7.7250 119.9575 61.0709 33.1173 174.9170 770 F 4.8257 9.5999 128.1598 56.9771 40.5866 175.4822 771 N 4.8434 8.5322 121.2854 51.4232 40.1830 175.5119 772 E 4.0769 8.8972 117.2045 59.7739 29.2918 178.7937 773 Y 4.1826 8.1074 119.0627 60.9965 38.9564 178.3953 774 R 3.5405 8.7815 119.2638 59.0939 29.7232 178.9029 775 M 4.2142 7.6431 117.9925 58.7820 32.2608 177.9902 776 H 4.5075 8.4408 118.2708 59.2856 29.8851 177.5165 777 K 3.9705 7.9291 119.6277 58.8092 31.9016 178.8414 778 S 4.3313 7.9734 112.9042 58.6711 63.1498 174.7360 779 R 4.1239 7.9152 120.4756 57.3759 28.2731 176.0171 780 M 5.3049 7.6210 112.2002 53.0054 31.7213 176.7590 781 Y 3.9925 8.5663 121.9462 62.1856 39.2254 176.9048 782 S 4.3349 8.3010 114.5504 61.5407 63.1778 176.1982 783 Q 4.0018 8.0921 121.2116 59.0084 28.5217 178.2786 784 C 4.0978 8.3070 117.9331 62.7067 28.0758 176.4450 785 V 3.4574 7.6349 119.9383 65.9463 31.0251 178.3677 786 R 3.9903 7.9625 117.8664 59.4608 29.7675 178.9883 787 M 4.0366 8.3431 119.0783 58.2299 31.8115 178.7905 788 R 3.8117 8.3493 119.4353 59.4228 29.9941 178.1508 789 H 4.2149 8.3593 115.6579 58.8774 29.0718 176.8251 790 L 4.0377 8.1022 122.2023 58.4435 41.9577 178.7690 791 S 4.2513 8.2489 112.9336 61.9063 62.1843 176.3466 792 Q 3.5609 8.1665 120.5265 58.5763 28.1767 178.6521 793 E 3.7044 7.6747 119.8659 59.0995 29.2967 179.0390 794 F 3.9750 7.4470 117.7529 60.3457 38.7040 178.0567 795 G 3.2131 6.9061 104.4745 47.3363 0.0000 175.5860 796 W 4.6983 7.4035 120.6893 59.5715 29.0939 177.3627 797 L 4.3737 8.2713 114.8681 54.2344 41.6662 176.3997 798 Q 3.5064 7.6689 116.8388 56.5199 26.7469 174.6825 799 I 4.0739 7.9658 118.0397 61.9904 38.1102 177.6378 800 T 4.5409 9.3452 116.7752 60.7329 71.1408 174.1315 801 P 4.2753 0.0000 0.0000 65.8787 31.3821 179.1048 802 Q 4.0819 8.1102 116.5829 58.8268 28.7020 178.3140 803 E 4.0551 8.2639 119.8212 59.1920 29.4743 178.8340 804 F 4.1921 8.5795 121.1034 61.5093 39.3098 177.2164 805 L 3.5711 7.8642 118.2334 57.8893 41.4082 179.4435 806 C 4.4386 8.2263 116.6360 63.1616 28.1994 176.0112 807 M 4.1010 8.5649 120.7813 58.3229 31.3158 178.7719 808 K 3.8500 8.1935 119.0139 59.2699 32.7189 178.4461 809 A 4.4039 8.1795 121.0881 55.2301 18.4016 179.3979 810 L 4.2091 8.2981 118.7964 58.2422 41.8972 179.1378 811 L 3.9752 7.5562 118.2090 57.4801 41.5167 178.8617 812 L 4.0857 7.4158 120.6280 56.3249 41.9570 177.7265 813 F 5.3646 7.5336 117.0082 57.6096 40.5547 176.0404 814 S 4.8518 7.9214 111.5409 58.0519 64.9265 173.5296 815 I 5.0208 7.7595 120.5881 59.9207 40.5025 173.7419 816 I 4.6297 8.4433 121.8611 58.4272 41.6680 172.5518 817 P 4.4823 0.0000 0.0000 62.8727 31.6554 178.3584 818 V 3.5952 8.9725 117.6462 64.1188 31.6375 176.9160 819 D 4.5750 8.0431 117.8496 53.6917 40.7011 177.2258 820 G 3.8967 7.7245 105.5905 45.2952 0.0000 173.4799 821 L 4.3848 8.8625 120.2061 52.9512 43.1738 177.4660 822 K 3.9896 9.0082 120.0645 59.4465 31.6596 176.7804 823 N 4.8653 9.0906 120.2808 50.9238 38.7227 174.0475 824 Q 4.0499 8.1999 123.6441 58.5904 29.4335 177.2387 825 K 3.9539 7.9631 119.0885 59.4389 32.1848 179.1082 826 F 4.5930 8.1258 117.6795 60.5426 38.8137 177.4728 827 F 4.0652 8.1428 119.4873 61.4721 39.1557 176.8109 828 D 4.4841 8.6293 118.7929 57.5184 40.5623 178.5468 829 E 3.9220 8.1001 119.5917 58.7248 29.5454 178.5515 830 L 3.7701 7.6220 120.1638 58.0487 42.1184 178.9485 831 R 3.4309 7.7124 118.9423 59.3172 29.9394 177.8610 832 M 3.9833 8.1142 118.2916 59.0605 32.1244 178.0708 833 N 4.2885 8.5627 116.6577 56.4548 38.7209 177.1139 834 Y 3.6194 8.4935 118.5626 60.7749 37.8179 178.4897 835 I 3.9849 8.1258 121.2017 64.1845 37.1196 178.4801 836 K 3.8946 8.0926 119.4787 59.5665 31.8060 179.1807 837 E 3.6613 8.1181 118.9607 58.9346 29.1220 179.2723 838 L 3.9756 7.7694 119.9393 58.2565 42.2779 178.2408 839 D 4.4245 8.3392 118.1385 57.5613 40.8271 178.2809 840 R 3.8351 8.0254 118.1086 59.6155 30.1616 178.1350 841 I 3.8847 7.7707 117.0783 63.7033 38.0972 177.7825 842 I 3.9893 7.9130 120.8644 64.1662 36.9549 177.6252 843 A 4.3978 8.4618 118.1637 53.2945 18.1223 177.2687 844 C 4.8097 7.6509 115.1168 59.2025 29.1743 173.7919 845 K 4.6177 7.8374 119.4173 54.6049 33.6160 176.6356 846 R 3.9589 8.2983 122.6990 56.4788 29.4723 177.0965 *851 S 4.1785 8.0422 110.6404 57.7094 63.2933 172.7510 852 C 4.1879 8.4786 128.2581 62.6695 28.1246 175.6697 853 S 4.1297 8.1597 114.4220 61.7232 61.8992 176.2845 854 R 4.0183 7.9415 121.0611 59.1620 29.7200 178.4145 855 R 4.1613 8.1937 120.1210 58.9611 30.1873 178.1910 856 F 4.0388 8.8663 120.8003 61.5344 39.3432 176.3248 857 Y 4.0707 8.1626 118.6737 60.8079 38.5332 178.2869 858 Q 3.8623 8.0785 118.9354 58.9959 28.8296 178.6772 859 L 4.0769 8.1497 120.5322 57.6101 41.5272 179.6019 860 T 3.4614 7.4482 110.0144 64.2475 68.4494 177.0596 861 K 3.7896 7.4023 120.6241 58.9326 32.2868 178.7026 862 L 4.0442 7.8544 120.5238 58.1282 42.0433 178.7599 863 L 3.8075 7.9355 118.9973 58.2296 41.6915 179.3748 864 D 4.5441 8.4187 118.7926 57.3928 39.3729 178.7953 865 S 4.3822 8.0628 113.9480 60.4924 63.0211 176.5714 866 V 3.8686 7.7182 122.8452 65.9117 31.1150 177.9243 867 Q 3.9059 7.9518 117.4978 58.5775 28.5976 176.8669 868 P 4.3265 0.0000 0.0000 65.4939 31.3306 178.8492 869 I 3.6716 7.3466 116.3011 64.3128 37.0211 178.0322 870 A 3.8357 8.1014 121.7862 55.3427 18.1431 179.6595 871 R 3.9207 8.3093 117.2756 59.6152 30.1345 178.5978 872 E 4.0534 8.1479 118.4306 59.5149 29.4631 179.4012 873 L 4.1106 8.0351 119.0366 57.8829 41.5566 179.1638 874 H 4.2698 8.5338 116.7656 58.9905 28.5839 177.5668 875 Q 4.0694 8.2071 121.2525 59.1562 28.8709 178.0729 876 F 4.0428 8.5500 121.5159 61.3626 39.4489 177.0296 877 A 4.3030 9.0774 120.8473 54.9903 18.1892 179.3718 878 F 4.0772 8.7135 119.4612 61.6928 39.6417 176.9546 879 D 4.2172 8.4965 118.7188 57.3307 40.7055 178.7145 880 L 3.9142 7.9922 120.7220 58.1263 41.9039 178.8284 881 L 3.2572 7.9670 119.5410 57.7744 41.9027 178.6522 882 I 3.6556 7.1523 119.3280 63.4612 37.2044 177.5742 883 K 4.2702 7.5488 117.5080 56.7492 32.7293 178.1381 884 S 4.2034 7.6062 116.3330 62.6629 62.3989 176.0123 885 H 4.4037 7.8153 114.1843 55.8963 28.0338 175.4106 886 M 4.6855 8.1566 118.9947 55.2411 33.9542 176.5953 887 V 4.1939 7.7567 109.7493 60.1114 32.4427 175.3915 888 S 3.6764 7.8902 113.0121 59.3900 60.5274 172.0966 889 V 4.3134 7.8038 117.6596 61.1107 33.1295 174.0589 890 D 4.8615 8.2519 126.8990 53.0344 42.0534 176.0535 891 F 4.5180 8.5993 121.6153 54.9018 40.5116 174.4346 892 P 4.5177 0.0000 0.0000 61.7602 33.2533 176.8431 893 E 3.9272 8.6774 119.1906 60.2475 29.4905 179.0620 894 M 4.0872 8.6855 118.5298 58.2381 31.9215 178.8724 895 M 3.9689 7.9212 119.0196 58.2262 32.2506 178.3371 896 A 4.1149 8.3006 120.9825 55.1807 18.3453 179.4370 897 E 3.8895 8.3418 117.6739 59.6475 29.7625 179.1411 898 I 3.7995 7.9963 119.9337 64.2750 36.9096 178.1924 899 I 4.1843 8.4365 120.0405 62.9063 37.2583 177.2903 900 S 4.7750 7.8419 113.1632 58.5186 63.7796 175.2443 901 V 4.1939 7.9676 120.7511 64.6815 32.7482 176.7742 902 Q 4.4456 7.8335 116.5689 58.2557 29.1991 178.1852 903 V 3.6153 8.2052 119.4953 65.5459 31.5736 176.2951 904 P 3.9466 0.0000 0.0000 65.3564 31.0969 178.6642 905 K 3.9770 7.8885 117.4036 59.2848 31.8801 179.4845 906 I 4.0006 7.3131 121.0468 63.7679 36.9864 178.3047 907 L 4.0337 7.8599 119.2463 57.1503 41.4729 178.6888 908 S 4.4390 8.2768 112.2397 58.1404 63.3638 175.1091 909 G 3.9005 7.7878 110.5755 45.7489 0.0000 174.8826 910 K 4.1263 8.0003 120.2503 58.0515 33.3322 176.9591 911 V 4.5265 7.5478 119.9294 60.7459 34.5442 174.4962 912 K 4.7849 8.7707 126.4892 53.4957 36.2895 174.2200 913 P 4.5508 0.0000 0.0000 63.1989 32.1542 175.9124 914 I 4.1565 8.7147 124.0978 60.4015 37.5121 175.0824 915 Y 4.6473 8.3506 125.0754 56.6729 39.3683 176.3268 916 F 4.3346 9.7176 123.1572 59.9905 39.4239 175.6566 917 H 4.6191 8.6507 121.2962 55.8745 28.8419 173.8401 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 670 Q 8.33 4.35 0.00 2.09 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.24 0.00 0.00 0.00 0.00 0.00 2.18 1.93 0.00 671 P 0.00 4.61 0.00 2.36 2.31 0.00 3.69 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.13 0.00 672 I 7.82 3.68 1.91 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 1.54 1.13 0.93 0.00 0.00 673 F 8.24 4.10 0.00 3.01 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 0.00 674 L 8.03 3.93 0.00 1.79 1.72 0.99 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 675 N 8.53 4.26 0.00 2.87 2.87 0.00 0.00 6.62 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 676 V 7.61 3.49 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 1.00 0.00 0.00 0.93 0.00 0.00 677 L 7.50 3.89 0.00 1.60 1.64 0.79 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 678 E 8.24 4.00 0.00 1.93 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 2.36 2.63 0.00 679 A 8.10 4.18 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 680 I 7.70 4.29 1.96 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.91 0.93 0.00 0.00 681 E 7.44 3.98 0.00 2.14 1.98 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 2.39 2.36 0.00 682 P 0.00 4.42 0.00 1.97 1.93 0.00 3.48 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 1.77 2.10 0.00 683 G 7.99 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 0.00 0.00 0.00 684 V 8.26 3.63 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 0.83 0.00 0.00 0.94 0.00 0.00 685 V 8.19 4.34 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 0.92 0.00 0.00 0.85 0.00 0.00 686 C 8.48 4.57 0.00 2.99 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 0.00 687 A 8.82 4.10 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 688 G 8.63 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 689 H 8.14 4.14 0.00 3.05 3.40 0.00 5.92 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 690 D 8.08 4.52 0.00 2.72 2.44 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 0.00 691 N 8.38 4.61 0.00 2.75 2.86 0.00 0.00 7.19 8.00 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 -0.77 0.00 0.00 861 K 7.40 3.79 0.00 1.63 1.72 0.00 1.49 0.00 0.00 1.12 0.00 0.00 2.46 0.00 0.00 2.96 0.00 0.00 0.00 0.00 0.54 0.89 7.81 862 L 7.85 4.04 0.00 1.69 1.77 0.76 0.38 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 0.00 863 L 7.94 3.81 0.00 1.96 1.77 0.95 0.81 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 0.00 864 D 8.42 4.54 0.00 2.97 2.98 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 0.00 865 S 8.06 4.38 0.00 4.10 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 866 V 7.72 3.87 2.16 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 1.09 0.00 0.00 1.01 0.00 0.00 867 Q 7.95 3.91 0.00 2.23 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.56 0.00 0.00 0.00 0.00 0.00 2.21 1.95 0.00 868 P 0.00 4.33 0.00 2.21 2.16 0.00 3.82 0.00 0.00 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.32 0.00 869 I 7.35 3.67 2.02 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.84 0.91 0.00 0.00 870 A 8.10 3.84 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 871 R 8.31 3.92 0.00 1.96 2.24 0.00 3.18 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.76 0.00 872 E 8.15 4.05 0.00 2.30 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.59 0.00 873 L 8.04 4.11 0.00 1.73 1.69 0.89 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 874 H 8.53 4.27 0.00 3.37 3.34 0.00 5.64 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 875 Q 8.21 4.07 0.00 2.28 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.81 0.00 0.00 0.00 0.00 0.00 2.44 2.67 0.00 876 F 8.55 4.04 0.00 3.42 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 877 A 9.08 4.30 1.67 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 0.00 878 F 8.71 4.08 0.00 3.24 3.28 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 0.00 879 D 8.50 4.22 0.00 2.61 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 0.00 880 L 7.99 3.91 0.00 1.91 2.07 1.11 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 881 L 7.97 3.26 0.00 0.65 1.34 -0.34 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 882 I 7.15 3.66 1.71 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.37 0.78 0.00 0.00 883 K 7.55 4.27 0.00 1.90 1.91 0.00 1.27 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.38 7.81 884 S 7.61 4.20 0.00 4.40 4.30 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 0.00 885 H 7.82 4.40 0.00 3.31 3.46 0.00 5.47 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 886 M 8.16 4.69 0.00 1.90 2.10 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.59 0.00 887 V 7.76 4.19 2.32 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 0.62 0.00 0.00 1.20 0.00 0.00 888 S 7.89 3.68 0.00 4.00 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 0.00 889 V 7.80 4.31 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.94 0.00 0.00 890 D 8.25 4.86 0.00 2.70 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 0.00 891 F 8.60 4.52 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 0.00 892 P 0.00 4.52 0.00 2.42 1.96 0.00 3.57 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 2.20 2.10 0.00 893 E 8.68 3.93 0.00 2.03 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 0.00 2.39 2.42 0.00 894 M 8.69 4.09 0.00 1.92 2.34 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 2.54 2.67 0.00 895 M 7.92 3.97 0.00 2.16 2.32 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.85 0.00 896 A 8.30 4.11 1.35 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 0.00 897 E 8.34 3.89 0.00 2.22 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.41 0.00 898 I 8.00 3.80 1.90 0.00 0.00 0.49 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 0.44 1.32 0.00 0.00 899 I 8.44 4.18 2.06 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.02 1.13 0.00 0.00 900 S 7.84 4.78 0.00 4.01 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 901 V 7.97 4.19 2.24 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 0.94 0.00 0.00 1.00 0.00 0.00 902 Q 7.83 4.45 0.00 2.46 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.68 0.00 0.00 0.00 0.00 0.00 2.50 2.43 0.00 903 V 8.21 3.62 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 1.24 0.00 0.00 904 P 0.00 3.95 0.00 2.16 1.92 0.00 3.72 0.00 0.00 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.20 0.00 905 K 7.89 3.98 0.00 1.86 1.77 0.00 1.80 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.46 1.72 7.81 906 I 7.31 4.00 1.81 0.00 0.00 0.71 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 1.51 0.80 0.00 0.00 907 L 7.86 4.03 0.00 1.33 1.56 0.63 0.93 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 0.00 908 S 8.28 4.44 0.00 3.91 3.91 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 0.00 909 G 7.79 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 0.00 0.00 0.00 910 K 8.00 4.13 0.00 1.82 1.78 0.00 1.57 0.00 0.00 1.54 0.00 0.00 2.79 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.41 1.34 7.81 911 V 7.55 4.53 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.31 0.00 0.00 0.32 0.00 0.00 912 K 8.77 4.78 0.00 1.62 1.60 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.31 1.29 7.81 913 P 0.00 4.55 0.00 1.26 1.92 0.00 3.72 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.88 0.00 914 I 8.71 4.16 1.77 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.56 0.78 0.00 0.00 915 Y 8.35 4.65 0.00 2.95 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 0.00 916 F 9.72 4.33 0.00 3.11 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 0.00 917 H 8.65 4.62 0.00 3.18 3.23 0.00 5.69 0.00 0.00 0.00 0.00 6.91 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.