NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.2935 8.3349 117.0975 57.9936 64.5462 174.0859 *745 D 4.6413 7.1702 118.1830 54.7002 43.0288 175.6034 746 P 4.3658 0.0000 0.0000 65.7608 31.7308 178.7255 747 E 3.9320 8.0894 117.1536 59.4776 29.3444 178.7033 748 N 4.2008 7.7543 115.2366 56.3845 38.5163 177.6045 749 I 3.6801 7.4084 120.9720 64.3990 37.1951 178.6205 750 K 3.9783 7.9064 118.7981 59.7190 31.9035 179.4558 751 T 3.5144 8.1177 116.3895 66.0733 68.1732 176.6723 752 Q 3.8021 7.5285 121.6711 59.3339 29.1074 178.1152 753 E 3.9994 8.1832 119.5580 58.9952 29.3615 179.1316 754 L 3.9529 8.1192 120.8779 58.3223 42.1796 178.8859 755 F 4.5464 8.1154 117.6787 61.0177 38.8853 178.0529 756 R 4.0264 8.3741 117.5690 59.0403 29.8302 179.2553 757 K 4.0079 8.4038 118.7900 59.5077 32.0752 179.5965 758 V 3.6526 8.3571 118.9457 66.0934 31.3948 178.3012 759 R 3.9388 8.4661 118.2915 59.0319 28.6029 178.9928 760 S 4.0725 8.2110 112.9944 61.4908 62.2456 176.1137 761 I 3.8495 7.6044 120.9660 64.6888 36.9881 178.2374 762 L 4.3518 7.9556 118.1387 57.2797 41.5027 178.2101 763 N 4.8758 8.0914 114.7382 52.0859 38.3866 175.1423 764 K 4.1141 7.2261 122.8809 56.0193 32.3388 177.8748 765 L 4.0781 8.6684 126.0411 56.9306 42.2012 176.4205 766 T 4.3075 7.1592 113.6749 61.2260 69.3451 172.0315 767 P 3.8105 0.0000 0.0000 63.7295 31.9663 177.8493 768 Q 4.1806 8.0185 121.7263 54.2777 29.9295 171.7145 *770 F 4.7825 8.1573 113.4758 59.9100 41.4668 177.5592 771 N 4.1353 8.5469 118.3667 56.4886 38.7460 176.7315 772 Q 4.0351 8.0197 115.1728 58.9432 29.0266 178.3843 773 L 4.1287 7.8047 118.5937 55.3378 41.2185 178.2884 *775 K 4.1600 8.2004 119.6946 56.0692 33.9755 177.7698 776 Q 3.9769 8.2028 117.6433 59.0410 28.9700 179.0638 777 V 3.5682 8.1886 118.0396 65.5282 31.5956 177.2758 778 S 4.4294 7.6178 111.9313 59.1572 63.0717 174.6456 779 G 4.0375 8.1059 109.7120 45.2681 0.0000 173.3013 780 L 4.7304 7.4997 118.4521 52.9065 44.1169 176.7754 781 T 4.4220 8.2510 117.0025 62.1697 69.6685 174.0083 782 V 4.2230 8.1214 127.5807 61.0644 30.4788 174.7178 783 D 4.8522 8.1979 119.5496 52.8872 40.3773 177.6884 784 T 4.7498 7.3043 115.9642 61.1716 73.7225 174.1925 785 E 4.0381 8.8254 126.1207 60.1218 29.8945 179.7610 786 E 4.0421 8.1846 117.9251 60.9233 29.7127 181.5872 787 R 4.3931 7.8399 117.2889 59.1823 30.2850 178.5147 788 L 4.0402 8.3115 120.5168 58.2271 42.2007 178.9988 789 K 3.9846 8.5065 119.9727 59.2803 31.9661 179.0856 790 G 3.4681 8.1020 106.0771 47.5241 0.0000 175.8614 791 V 3.5372 8.2233 121.3737 65.8638 31.6120 177.9587 792 I 3.8552 8.0660 119.7129 64.7691 36.9209 178.0992 793 D 4.3681 8.1128 119.4432 57.3650 40.7461 178.8137 794 L 3.8593 8.0655 119.8691 57.7416 41.5331 179.8312 795 V 3.4400 7.9321 118.1963 65.8845 31.4311 178.1458 796 F 3.6313 8.4147 117.5660 60.5211 38.4992 177.3825 797 E 3.9196 8.3602 118.2788 59.2786 29.1950 179.5256 798 K 3.6996 7.6720 118.8977 59.3213 32.0186 178.8904 799 A 3.5245 7.4466 121.1859 54.7570 17.7448 179.5549 800 I 3.6961 7.6237 118.1571 64.0286 37.2490 177.5465 801 D 4.5647 7.3712 118.1678 55.5733 42.7356 176.1615 802 E 4.5574 8.0665 118.4510 53.1269 30.1720 173.9204 803 P 4.4905 0.0000 0.0000 64.7497 32.1063 178.9533 804 S 4.0288 8.0083 113.0685 61.5207 62.9171 175.5185 805 F 5.0672 7.9333 117.5510 57.5349 38.9049 177.9107 806 S 4.5049 8.3547 117.3528 61.1015 62.5441 176.5013 807 V 3.6107 7.8169 122.0311 65.7833 31.1501 177.5405 808 A 3.8749 7.6561 118.9125 55.5387 18.4096 178.7906 809 Y 4.4337 7.0901 113.4970 61.1817 38.0664 178.5065 810 A 4.4267 8.6257 122.0579 54.9805 18.6533 180.2209 811 N 4.7806 8.3569 115.0560 53.7138 38.7583 177.1895 *813 C 4.7013 8.1164 119.8963 59.9673 30.3340 176.4122 814 R 3.9448 8.2071 118.4537 59.5534 29.5609 178.0911 815 C 4.2748 7.8887 115.7293 62.6077 28.3843 175.7310 816 L 4.1120 7.7922 120.2371 57.1832 41.0417 178.9399 817 V 3.0712 6.7531 116.0229 62.5086 31.2407 176.3017 818 T 4.5768 7.1890 115.7920 63.4101 68.9723 174.5097 819 L 4.7309 7.6895 121.7552 53.6222 45.7892 176.5294 820 K 4.6423 8.5347 123.4592 52.8152 33.6588 175.2459 821 V 4.4763 8.1169 122.7611 59.7993 34.5736 174.2885 822 P 4.5276 0.0000 0.0000 63.1128 28.6934 175.9804 *832 N 4.6733 7.8587 117.8387 52.8919 39.7260 177.0857 833 F 3.9716 8.1788 121.4836 61.7579 39.5563 176.6497 834 R 4.0738 8.5955 119.6524 60.0083 29.7440 179.7102 835 K 4.0076 8.0048 122.7818 59.9008 31.8593 182.1114 836 L 4.1065 7.6177 120.1802 57.2662 41.4138 179.6146 837 L 3.8973 7.8859 121.5672 58.3098 41.6524 179.7998 838 L 4.0087 8.4683 122.6791 59.8313 40.6021 180.8534 839 N 4.3889 8.0864 116.4161 56.4072 38.7191 177.1509 840 R 3.6898 8.1785 119.9120 59.3305 29.9999 178.3049 841 C 4.0461 8.3802 116.7518 62.9299 28.1876 175.9924 842 Q 4.4409 8.7221 121.6459 58.5748 28.2249 179.8298 843 K 4.0401 7.4402 125.7838 59.8417 31.7534 184.5876 844 E 4.1244 7.9228 120.2106 58.9645 29.3292 179.6783 845 F 4.5936 7.6823 119.7998 61.4542 39.0847 178.2355 846 E 4.2250 9.2455 119.6742 61.0090 29.7581 180.9138 847 K 4.6042 8.1291 123.9239 59.4603 32.1425 184.0201 848 D 4.7364 8.2861 118.3145 56.0456 39.9813 181.9418 849 K 4.3372 7.8852 116.4415 55.9008 31.9840 182.5971 850 A 4.3558 7.5653 119.2392 53.8892 20.7779 177.2918 *881 A 4.1734 7.6055 117.9181 52.4450 19.3308 176.3737 882 K 4.5934 7.8171 118.7582 56.6817 33.3031 176.4224 883 D 4.8842 8.2345 114.3461 52.2081 41.6635 179.3962 884 K 4.6251 7.8333 122.5898 57.4020 33.7639 181.9506 885 A 4.2949 7.9353 119.3909 55.5912 18.3599 179.7542 886 R 3.9574 8.0752 119.0798 59.9889 30.2484 179.6882 887 R 3.9337 7.9510 119.8951 61.6512 29.4780 180.5432 888 R 4.1257 7.6978 119.3696 59.1468 30.0390 178.5287 889 S 4.1859 8.5571 113.5367 61.3049 62.3661 176.2575 890 I 3.8610 8.2049 123.2474 64.2066 36.9003 178.6129 891 G 3.6268 7.9641 106.1405 47.7024 0.0000 175.2086 892 N 4.3970 8.2551 119.6580 56.6719 39.0032 176.9385 893 I 3.9225 7.9690 121.1487 64.3159 37.2735 178.3049 894 K 3.9850 8.2755 120.4848 59.3698 31.9332 178.7152 895 F 4.4107 8.1987 120.7221 61.6409 39.3654 177.0998 896 I 3.5622 8.4170 119.9466 64.4720 36.8116 178.6817 897 G 3.6328 8.6106 106.8621 47.4899 0.0000 175.5379 898 E 4.0384 7.8321 120.6877 59.0836 29.9722 178.5807 899 L 4.0588 8.0664 119.5070 57.7416 41.7709 179.2336 900 F 4.1718 8.5087 120.6667 60.9734 39.0707 176.6584 901 K 4.1837 7.7536 115.7505 57.3346 31.9410 177.3616 902 L 4.4460 7.4644 121.0238 54.5200 42.2010 176.4713 903 K 3.3955 7.1649 121.9081 54.6986 28.3799 178.3345 *905 L 4.3154 7.5675 122.8752 54.4161 43.4576 176.7293 906 T 4.6127 8.0920 109.7921 60.5768 70.1699 175.9527 907 E 3.9935 9.0239 122.6114 59.3455 29.5477 178.4814 908 A 4.1915 7.6860 120.7775 55.1577 18.9425 178.9001 909 I 3.6996 7.5661 116.9568 61.5358 37.8339 177.5200 *911 H 4.6152 8.2894 117.6669 55.7429 30.9898 175.7639 912 D 4.1638 7.6884 118.1434 57.4253 40.3995 178.5857 913 C 3.9263 7.5545 116.5711 62.7340 28.0920 176.2055 914 V 3.2932 7.4524 119.0691 66.0738 31.0343 177.8815 915 V 3.4446 7.6223 117.8955 65.9666 31.1523 177.8888 916 K 3.9334 8.0325 119.3780 59.3920 31.7809 178.8961 917 L 3.9871 7.8040 118.8396 57.7116 41.6103 179.1376 918 L 4.1571 8.0165 120.7664 57.9358 41.5567 179.8552 919 K 4.2521 7.8357 123.0604 58.7567 31.7498 179.5582 920 N 4.9439 7.4979 120.9819 52.2999 38.2705 174.7495 921 H 4.8286 8.7793 121.4171 55.7301 29.6399 175.8137 922 D 4.5897 7.8161 119.3863 53.4525 41.9690 175.4322 923 E 3.8990 8.6701 120.7690 60.0969 29.5290 179.5524 924 E 3.9635 8.3019 117.4805 59.7713 29.4605 179.6968 925 S 4.1225 8.0529 114.3852 61.5870 62.8308 176.7216 926 L 3.9340 8.1004 121.8555 57.8070 41.2663 179.2755 927 E 3.9143 8.6263 119.7102 59.3042 29.5148 178.3148 928 C 4.0663 8.1993 118.8410 62.3584 31.5654 175.3655 929 L 3.8936 8.0668 122.1087 58.3533 41.6714 178.8109 930 C 4.2028 8.2825 116.9745 62.8365 28.1534 176.3845 931 R 3.9551 8.3395 120.0362 59.3410 29.6003 178.3866 932 L 3.9340 8.3297 120.5740 58.3015 42.0497 178.8958 933 L 3.9969 8.6301 119.2545 58.2031 41.4198 179.9941 934 T 4.1626 7.8554 115.1763 66.9528 68.4616 176.5240 935 T 4.2336 7.8482 116.7652 65.3018 68.9580 176.0768 936 I 4.5310 7.9187 112.2383 59.8977 38.3381 177.2647 937 G 3.0915 7.9117 109.0501 48.1528 0.0000 176.0237 938 K 2.9386 6.4140 120.1238 58.7226 32.6403 178.4077 939 D 4.4245 7.6264 119.0362 57.3049 40.9194 178.2568 940 L 4.1909 7.5529 118.0723 56.6049 42.9936 177.6160 941 D 4.6511 7.5441 122.5627 53.7074 39.6264 175.9741 *942 F 4.6270 7.6942 122.8009 55.5401 40.1681 178.9085 943 E 3.7094 8.9924 122.2894 59.4629 29.5275 179.2207 944 K 4.2298 8.0180 118.0214 55.9440 32.3887 180.1347 945 A 4.5428 8.6746 118.6639 52.6230 19.1565 178.7615 946 K 3.8626 8.1078 117.1769 59.0655 32.5618 176.5017 947 P 4.4189 0.0000 0.0000 65.8581 31.2119 179.1976 948 R 3.9668 7.5228 116.2523 56.1061 29.7056 178.3414 *950 D 4.6105 8.2270 120.0646 54.5526 43.0269 177.9679 951 Q 3.9825 7.8405 119.1085 59.1791 28.7563 177.4970 952 Y 4.4225 7.5978 116.6906 61.5715 38.1116 178.6806 953 F 4.0796 8.6816 116.4139 60.5190 39.4302 177.0363 954 N 4.6665 8.2402 115.8257 55.8152 38.2490 177.5481 955 Q 4.4012 8.1864 119.1770 56.1301 28.8711 177.8569 *957 E 4.2169 8.3681 125.4046 56.8185 31.8711 178.4564 958 K 4.0817 7.9627 122.9746 59.8562 31.4594 181.6057 959 I 3.9665 7.3961 119.8526 63.9140 36.9760 178.6599 960 V 3.6462 7.4606 118.1393 65.9069 31.6755 177.2111 961 K 4.0747 8.1345 118.4228 58.1804 31.9894 176.2121 962 E 4.3845 7.5549 118.8592 55.0228 29.8921 177.4595 963 R 4.2275 8.4631 130.3644 56.6482 29.3564 177.9784 964 K 4.4527 7.8548 116.7264 54.5535 32.5000 178.3266 965 T 4.8091 7.3175 108.0703 59.7448 71.9027 174.5142 966 S 4.3019 8.4053 117.8094 58.6421 64.8772 175.6752 967 S 4.1913 8.6866 118.5528 61.4660 62.5210 176.4546 968 R 4.0175 8.0239 121.5610 59.6995 30.0386 178.0468 969 I 3.8486 7.7741 118.9752 64.3631 37.3972 178.2108 970 R 4.0718 8.0641 119.7222 58.9197 29.7675 177.5071 971 F 4.2798 8.2332 116.9614 57.9167 39.3603 177.4559 *973 L 4.2576 7.8708 120.1481 55.0726 43.5055 179.4504 974 Q 4.1349 7.9876 116.8860 58.4774 28.3279 178.6164 975 D 4.4171 7.9954 120.2877 57.2534 40.9706 178.8185 976 V 3.7219 7.7702 118.3107 65.9856 31.6204 178.0439 977 I 4.0087 7.9427 119.8482 64.2909 36.6897 178.1310 978 D 4.2740 7.9104 119.0578 57.3562 40.8753 177.8813 979 L 3.8625 8.0501 120.8960 58.3784 41.9241 178.7684 980 R 2.5100 7.2032 117.7558 59.0511 29.7471 178.5638 981 L 3.9978 7.2369 116.7916 57.1430 41.8742 178.2934 982 C 4.5654 7.7781 116.4028 58.7104 28.8327 173.3963 983 N 4.3872 8.8955 115.8308 54.2913 36.2199 174.2016 984 W 3.6376 7.5894 112.6443 57.9653 26.8367 174.4584 985 V 4.4663 7.5231 115.7704 61.1203 33.4204 175.1694 986 S 4.3860 8.6235 119.1675 58.4466 62.2667 173.6291 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 1 S 8.33 4.29 0.00 3.65 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *745 D 7.17 4.64 0.00 2.79 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 0.00 746 P 0.00 4.37 0.00 2.14 2.08 0.00 3.75 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.16 0.00 747 E 8.09 3.93 0.00 1.94 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 2.38 2.32 0.00 748 N 7.75 4.20 0.00 2.99 2.85 0.00 0.00 7.06 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 749 I 7.41 3.68 2.06 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 1.50 1.06 0.89 0.00 0.00 750 K 7.91 3.98 0.00 1.84 1.80 0.00 1.64 0.00 0.00 1.79 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.49 7.81 751 T 8.12 3.51 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 0.34 0.00 0.00 752 Q 7.53 3.80 0.00 2.27 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.45 0.00 753 E 8.18 4.00 0.00 2.04 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 2.32 2.43 0.00 754 L 8.12 3.95 0.00 1.70 1.73 1.01 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 755 F 8.12 4.55 0.00 3.25 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 0.00 756 R 8.37 4.03 0.00 2.03 2.01 0.00 3.15 0.00 0.00 3.19 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.92 0.00 757 K 8.40 4.01 0.00 2.06 1.89 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.58 7.81 758 V 8.36 3.65 2.28 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 1.07 0.00 0.00 1.08 0.00 0.00 759 R 8.47 3.94 0.00 2.04 1.98 0.00 3.21 0.00 0.00 3.10 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.80 0.00 760 S 8.21 4.07 0.00 4.00 4.12 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 0.00 761 I 7.60 3.85 2.06 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 1.53 0.91 0.94 0.00 0.00 762 L 7.96 4.35 0.00 1.64 1.75 0.91 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 763 N 8.09 4.88 0.00 2.74 2.86 0.00 0.00 7.04 7.16 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 0.00 764 K 7.23 4.11 0.00 1.92 1.72 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.74 1.51 7.81 765 L 8.67 4.08 0.00 1.61 1.72 1.04 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 766 T 7.16 4.31 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 1.12 0.00 0.00 767 P 0.00 3.81 0.00 1.46 1.38 0.00 3.12 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 0.49 0.61 0.00 768 Q 8.02 4.18 0.00 2.07 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.66 0.00 0.00 0.00 0.00 0.00 2.26 1.91 0.00 *770 F 8.16 4.78 0.00 3.08 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 0.00 771 N 8.55 4.14 0.00 2.75 2.89 0.00 0.00 6.90 7.69 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 0.00 772 Q 8.02 4.04 0.00 2.19 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.01 7.18 0.00 0.00 0.00 0.00 0.00 2.37 2.30 0.00 773 L 7.80 4.13 0.00 1.71 1.43 0.90 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 *775 K 8.20 4.16 0.00 1.80 1.89 0.00 1.74 0.00 0.00 1.79 0.00 0.00 2.85 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.37 1.44 7.81 776 Q 8.20 3.98 0.00 2.32 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.10 6.57 0.00 0.00 0.00 0.00 0.00 2.36 2.33 0.00 777 V 8.19 3.57 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 0.96 0.00 0.00 0.97 0.00 0.00 778 S 7.62 4.43 0.00 4.01 3.92 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 0.00 779 G 8.11 4.04 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 0.00 0.00 0.00 780 L 7.50 4.73 0.00 1.75 1.60 0.96 0.87 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 0.00 781 T 8.25 4.42 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 1.29 0.00 0.00 782 V 8.12 4.22 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 1.01 0.00 0.00 783 D 8.20 4.85 0.00 2.80 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 784 T 7.30 4.75 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 1.29 0.00 0.00 785 E 8.83 4.04 0.00 2.05 1.96 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 2.39 2.38 0.00 786 E 8.18 4.04 0.00 2.01 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 1.97 0.00 787 R 7.84 4.39 0.00 2.07 2.08 0.00 3.24 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 788 L 8.31 4.04 0.00 1.95 1.72 1.07 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 789 K 8.51 3.98 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0.00 3.10 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 0.00 896 I 8.42 3.56 2.08 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.64 1.04 0.00 0.00 897 G 8.61 3.63 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 0.00 0.00 0.00 898 E 7.83 4.04 0.00 2.33 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.46 0.00 899 L 8.07 4.06 0.00 1.72 1.63 0.43 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 900 F 8.51 4.17 0.00 3.13 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 901 K 7.75 4.18 0.00 1.92 1.82 0.00 1.73 0.00 0.00 1.75 0.00 0.00 3.09 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.56 1.87 7.81 902 L 7.46 4.45 0.00 1.69 1.58 0.92 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 903 K 7.16 3.40 0.00 1.97 1.73 0.00 1.84 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.28 1.27 7.81 *905 L 7.57 4.32 0.00 1.90 1.86 1.01 1.04 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 0.00 906 T 8.09 4.61 4.33 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 1.28 0.00 0.00 907 E 9.02 3.99 0.00 2.09 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 0.00 2.74 2.55 0.00 908 A 7.69 4.19 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 0.00 0.00 0.00 0.00 0.00 909 I 7.57 3.70 1.98 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.54 1.09 0.00 0.00 *911 H 8.29 4.62 0.00 3.47 3.45 0.00 5.68 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 912 D 7.69 4.16 0.00 2.52 1.91 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 0.00 913 C 7.55 3.93 0.00 2.86 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 0.00 914 V 7.45 3.29 1.65 0.00 0.00 0.00 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 0.64 0.00 0.00 915 V 7.62 3.44 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 1.05 0.00 0.00 916 K 8.03 3.93 0.00 1.86 1.96 0.00 1.57 0.00 0.00 1.67 0.00 0.00 3.11 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.49 1.53 7.81 917 L 7.80 3.99 0.00 1.69 1.64 0.89 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 918 L 8.02 4.16 0.00 1.54 1.70 0.84 0.94 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 0.00 919 K 7.84 4.25 0.00 1.86 1.74 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.40 1.37 7.81 920 N 7.50 4.94 0.00 2.82 2.82 0.00 0.00 7.12 8.03 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 0.00 921 H 8.78 4.83 0.00 3.26 3.35 0.00 5.52 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 922 D 7.82 4.59 0.00 2.85 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 923 E 8.67 3.90 0.00 2.01 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 0.00 2.41 2.43 0.00 924 E 8.30 3.96 0.00 2.23 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 2.40 2.41 0.00 925 S 8.05 4.12 0.00 4.13 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 0.00 926 L 8.10 3.93 0.00 1.81 1.70 0.96 0.93 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 0.00 927 E 8.63 3.91 0.00 2.00 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 2.32 2.33 0.00 928 C 8.20 4.07 0.00 3.15 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 0.00 929 L 8.07 3.89 0.00 1.81 1.74 0.73 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 930 C 8.28 4.20 0.00 3.16 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 0.00 931 R 8.34 3.96 0.00 1.91 2.00 0.00 3.15 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.76 0.00 932 L 8.33 3.93 0.00 1.89 1.76 0.90 0.43 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 0.00 933 L 8.63 4.00 0.00 1.87 2.03 0.73 0.79 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 0.00 934 T 7.86 4.16 4.48 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 1.32 0.00 0.00 935 T 7.85 4.23 4.50 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 0.00 0.00 0.00 1.25 0.00 0.00 936 I 7.92 4.53 2.00 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.68 1.09 0.00 0.00 937 G 7.91 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 0.00 0.00 0.00 938 K 6.41 2.94 0.00 1.53 1.06 0.00 1.59 0.00 0.00 1.78 0.00 0.00 3.09 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.21 1.36 7.81 939 D 7.63 4.42 0.00 2.88 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 940 L 7.55 4.19 0.00 1.69 1.68 0.68 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 941 D 7.54 4.65 0.00 2.65 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *942 F 7.69 4.63 0.00 2.24 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 943 E 8.99 3.71 0.00 1.97 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 2.25 1.93 0.00 944 K 8.02 4.23 0.00 1.77 1.75 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.34 1.00 7.81 945 A 8.67 4.54 1.41 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 0.00 0.00 946 K 8.11 3.86 0.00 1.73 1.93 0.00 1.80 0.00 0.00 1.94 0.00 0.00 3.17 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.67 1.50 7.81 947 P 0.00 4.42 0.00 2.21 2.27 0.00 3.70 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 2.02 2.03 0.00 948 R 7.52 3.97 0.00 1.84 1.50 0.00 3.03 0.00 0.00 3.08 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.47 0.00 *950 D 8.23 4.61 0.00 2.93 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 951 Q 7.84 3.98 0.00 2.18 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.78 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 952 Y 7.60 4.42 0.00 3.20 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 953 F 8.68 4.08 0.00 3.06 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 954 N 8.24 4.67 0.00 2.82 2.89 0.00 0.00 6.91 6.83 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 0.00 955 Q 8.19 4.40 0.00 2.31 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.38 0.00 0.00 0.00 0.00 0.00 2.42 2.76 0.00 *957 E 8.37 4.22 0.00 2.16 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.27 0.00 958 K 7.96 4.08 0.00 1.84 1.80 0.00 1.87 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.37 1.35 7.81 959 I 7.40 3.97 1.85 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 1.40 1.08 0.91 0.00 0.00 960 V 7.46 3.65 2.28 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 0.75 0.00 0.00 0.89 0.00 0.00 961 K 8.13 4.07 0.00 1.89 1.83 0.00 1.83 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.44 1.48 7.81 962 E 7.55 4.38 0.00 2.02 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 2.28 2.40 0.00 963 R 8.46 4.23 0.00 1.79 1.92 0.00 3.18 0.00 0.00 3.24 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 964 K 7.85 4.45 0.00 1.77 1.69 0.00 1.75 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.31 0.98 7.81 965 T 7.32 4.81 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 1.22 0.00 0.00 966 S 8.41 4.30 0.00 4.10 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 0.00 967 S 8.69 4.19 0.00 4.24 4.23 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 0.00 968 R 8.02 4.02 0.00 1.88 2.04 0.00 3.27 0.00 0.00 3.25 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.76 0.00 969 I 7.77 3.85 2.00 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 1.43 0.93 0.91 0.00 0.00 970 R 8.06 4.07 0.00 2.03 1.95 0.00 2.90 0.00 0.00 3.16 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.58 0.00 971 F 8.23 4.28 0.00 3.43 2.97 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 *973 L 7.87 4.26 0.00 1.87 1.72 0.90 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 974 Q 7.99 4.13 0.00 2.27 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.83 0.00 0.00 0.00 0.00 0.00 2.33 2.55 0.00 975 D 8.00 4.42 0.00 2.92 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 0.00 976 V 7.77 3.72 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 1.05 0.00 0.00 977 I 7.94 4.01 1.92 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 1.73 0.69 0.96 0.00 0.00 978 D 7.91 4.27 0.00 2.85 2.71 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 0.00 0.00 0.00 0.00 979 L 8.05 3.86 0.00 1.94 1.37 1.31 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 980 R 7.20 2.51 0.00 0.71 1.23 0.00 2.21 0.00 0.00 2.33 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.82 0.00 981 L 7.24 4.00 0.00 1.73 1.65 0.88 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 982 C 7.78 4.57 0.00 3.09 2.94 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 0.00 983 N 8.90 4.39 0.00 2.83 2.92 0.00 0.00 6.89 7.89 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 0.00 984 W 7.59 3.64 0.00 3.46 3.31 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 0.00 985 V 7.52 4.47 2.22 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 0.79 0.00 0.00 1.05 0.00 0.00 986 S 8.62 4.39 0.00 3.91 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.