NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 737 G 3.9163 8.1976 109.7359 45.1771 0.0000 174.4611 738 E 4.2270 7.9760 118.1154 56.0889 29.6197 175.6371 739 A 4.3111 8.1335 123.9674 53.6877 19.7971 180.6264 740 A 4.0504 7.5482 118.8358 54.6655 18.7972 179.6796 741 I 3.6144 7.6388 111.2341 64.3441 37.7349 178.0299 742 E 3.9563 7.9631 120.1967 58.2370 29.1128 178.6847 743 A 3.9798 7.3225 120.0757 54.9539 18.9375 179.1391 744 V 3.6797 8.0289 115.5673 66.7420 31.7816 177.4950 745 E 4.0406 8.3036 118.1669 58.8792 29.0797 178.2961 746 E 3.8555 8.0428 117.3317 57.6641 30.7962 178.7979 *748 E 4.1802 8.0775 117.1532 56.1683 31.8622 177.6870 749 R 3.8650 8.0738 118.3299 59.9044 29.8361 178.2284 750 L 3.9834 7.6788 118.1257 57.6511 41.5667 179.4794 751 L 3.9733 7.6645 119.9341 58.0204 42.1088 178.8310 752 R 4.1494 8.3516 115.6558 57.9985 29.6147 177.9442 753 E 4.0169 8.1155 120.7781 59.0093 29.8072 178.0409 754 A 3.9668 7.8762 120.9498 55.2977 18.1971 179.4967 755 S 4.2458 8.0991 111.5357 60.4618 63.3209 176.1282 756 S 4.2488 8.0580 117.5526 60.4199 62.2250 175.7889 757 I 3.7663 7.6979 113.7457 62.8269 37.5898 176.1342 758 L 4.1117 7.2885 119.5916 54.0264 42.7682 175.7050 759 R 3.7481 7.4767 116.1976 56.8783 27.1165 174.5597 760 V 4.3973 7.9498 117.3102 61.3676 35.7078 173.2603 761 E 4.2550 8.4514 122.1575 55.1714 30.0473 176.6885 762 P 4.2466 0.0000 0.0000 65.9061 31.0758 178.4275 763 A 4.0922 7.9848 118.6753 53.6094 18.6843 178.2460 764 K 4.3806 7.8962 115.6185 55.9880 33.1218 177.5616 765 L 3.8117 7.3928 121.7734 58.0394 41.6431 176.7227 766 P 4.1743 0.0000 0.0000 65.6592 31.2433 178.1967 767 K 3.9252 8.0830 117.6448 59.8817 32.0424 178.6813 768 T 3.9380 8.0899 109.9636 64.9507 68.7910 176.5152 769 V 3.6693 8.1839 121.7788 66.0484 31.2052 176.8398 770 E 4.0365 8.1488 119.5449 58.2223 29.4221 178.2054 771 R 4.3901 8.1123 119.7396 59.1842 30.3388 178.8007 772 F 4.0240 8.9591 117.5352 60.7080 38.7868 177.4403 773 F 4.2986 8.4614 118.8400 61.6028 39.2231 176.5098 774 E 4.2698 8.9191 118.8875 59.2932 29.2997 178.6883 775 E 4.0358 8.6107 118.3040 59.7054 29.5820 179.5340 776 W 4.2562 8.8104 128.1801 60.0351 30.5642 178.1487 777 K 3.7367 8.7377 119.1083 59.0486 31.7596 178.7940 778 D 4.2816 7.9262 118.5244 57.4338 40.7302 178.3197 779 Q 4.0960 8.3857 118.7650 59.2934 28.2882 179.5725 780 R 3.6414 7.0022 117.9541 59.2566 30.2203 179.0236 781 K 3.8419 7.8525 119.0834 59.3595 32.0416 178.1739 782 E 3.8536 8.8208 120.9228 59.3700 29.6861 178.9286 783 I 3.6602 8.0449 113.0828 63.4502 37.2335 177.6406 784 E 3.9238 7.4399 120.4646 58.9330 29.7419 178.3276 785 R 3.9739 7.7578 118.4765 59.3793 30.1843 178.0332 786 L 3.9246 8.0056 118.9498 58.1148 41.5098 179.5385 787 K 3.8436 8.0199 117.9269 60.0074 31.9602 179.1063 788 S 4.1906 8.1413 112.9724 61.2740 62.2639 176.4141 789 V 4.3484 7.4996 121.9037 65.6374 31.5639 177.8809 790 I 3.7619 8.2010 119.5404 63.9479 36.7197 178.2587 791 A 4.1579 7.6515 120.6401 55.1149 18.4724 178.9044 792 D 4.3967 7.8289 116.9764 57.8157 40.9273 179.5470 793 L 3.9564 7.9321 118.8152 57.7735 41.5399 179.4570 794 W 4.4909 8.0487 126.3757 60.3791 30.6676 177.3140 795 A 4.1092 8.4148 121.0019 54.5165 17.8255 179.3830 796 D 4.3888 8.1011 117.3871 57.5137 41.1826 178.7366 797 I 3.9809 7.7655 110.7095 62.6408 37.9455 176.0343 798 L 4.4323 7.2386 119.9312 55.0421 42.6365 177.0377 *800 E 4.3458 7.9383 113.9566 56.0482 31.1412 175.9305 801 R 4.6211 7.8320 114.4253 56.1318 32.1920 174.6694 802 A 4.4080 8.0265 119.8808 51.9543 19.4481 177.8035 803 E 4.5276 8.9245 122.7363 55.0975 32.4439 174.0642 804 E 4.9642 8.7487 121.9509 54.3019 32.0504 175.0154 805 F 4.1826 8.5075 128.1341 57.0948 41.0595 173.4917 806 D 4.1243 8.3800 130.0062 56.5252 37.3909 175.9050 807 S 3.4879 7.6769 111.7017 59.3334 60.4541 171.7061 *809 K 4.9630 7.4113 118.0258 56.5129 34.1005 175.8145 810 V 5.4496 8.4013 117.7833 58.9911 34.8390 174.9963 811 V 4.8944 8.0952 122.2234 61.2340 35.0394 174.0377 812 A 5.6238 8.3042 128.1331 51.0381 21.9057 175.0306 813 E 4.6887 8.4595 119.4835 55.3170 33.7580 175.2276 814 V 3.9548 8.4341 123.5594 62.5027 32.2380 175.2793 815 V 4.5039 8.4288 126.7521 61.3378 35.2848 173.9687 816 D 5.0169 8.9031 124.1885 51.9919 40.0522 174.8273 817 A 4.9427 7.7372 124.3284 50.5649 24.0607 177.4034 818 D 4.7042 8.7294 123.5669 54.0621 38.0373 178.1162 *820 Q 4.1370 9.2660 118.7324 55.9048 31.2149 175.9543 821 A 4.0106 8.0030 118.1283 55.1535 18.4249 179.1592 822 L 3.7063 8.1031 118.0022 58.3588 41.7747 179.8225 823 Q 3.9265 8.0580 116.7901 59.1873 28.7990 179.1681 824 K 3.9275 7.7836 119.1546 59.3246 31.9704 179.5088 825 L 3.7306 7.9026 118.9833 57.7370 41.6124 178.7738 826 A 3.3781 8.1654 120.7578 55.4756 18.1267 179.3505 827 E 3.8781 8.2171 115.8947 59.7726 29.8130 179.7789 828 R 3.7877 7.6459 117.3039 59.5985 29.9967 179.1563 829 L 3.9371 8.1519 118.6780 57.4463 41.4967 179.4333 830 A 4.1792 7.9681 120.9109 55.3066 18.1669 179.5916 831 E 4.1986 8.7950 116.5645 59.1218 29.5872 178.8886 832 K 4.2707 7.7454 115.9285 55.9567 33.3433 176.2074 833 G 3.6363 8.6888 106.7073 46.2241 0.0000 172.2256 834 A 4.8399 8.0049 120.6295 50.3204 23.3433 175.4672 835 V 4.4988 9.0072 118.8362 60.4345 34.3624 176.0718 836 G 3.3171 5.9734 110.4281 46.1059 0.0000 170.6178 837 C 5.3343 8.5327 119.4213 58.2108 35.6925 173.4355 838 L 4.8040 8.7243 121.9664 54.0233 45.7527 173.7256 *840 A 4.4650 8.3427 123.8849 51.6429 20.5703 175.6601 841 K 4.2631 8.5626 121.3000 55.7394 32.7343 176.9862 842 G 2.9975 7.9549 117.2721 43.4087 0.0000 171.8930 843 E 4.0222 8.1335 119.9683 56.8555 29.1497 176.7673 844 G 4.0640 10.3783 116.3219 45.2625 0.0000 171.5374 845 K 4.5876 7.4988 116.3787 56.1801 36.8845 174.5112 846 V 4.7043 9.1677 120.5787 61.3086 33.4827 174.7377 847 F 5.2875 8.7073 126.6234 57.0442 39.7202 175.2608 848 V 4.6275 8.4415 121.2853 61.5351 35.8285 174.6453 849 V 4.8776 8.1422 122.3181 62.3403 35.1883 172.6742 850 T 5.2863 8.7336 118.6504 60.2383 72.0107 173.2220 851 F 5.4386 7.9394 116.1125 56.0478 41.4480 172.9691 852 S 5.0772 9.5561 116.4771 56.7551 64.9222 173.7971 853 G 4.1544 8.6248 110.0329 44.7228 0.0000 172.1523 854 Q 4.7860 7.5296 116.7902 53.2195 31.7847 175.2928 855 K 3.9348 8.8349 117.4162 60.5798 32.0760 176.8214 856 Y 4.1232 7.2870 115.0485 57.9496 38.4732 175.3813 857 D 4.9364 8.9067 122.5614 52.9375 42.5369 176.3633 858 A 3.9139 8.5317 129.1416 55.8156 18.3586 179.4539 859 R 3.8208 7.5900 115.0773 60.0886 29.9765 178.5918 860 E 3.9688 8.9164 118.9302 58.7776 29.5079 178.7143 861 L 2.6286 7.2419 120.3710 57.4138 41.9681 179.3031 862 L 3.8659 7.6465 120.2912 58.1400 42.1674 178.8706 863 R 3.9695 7.8041 117.8465 58.7642 29.5961 178.1685 864 E 3.8658 8.2131 120.0541 59.4460 29.5743 178.5165 865 I 3.9019 7.4158 111.0962 62.2699 37.9412 178.0426 866 G 3.5012 7.7889 108.4478 47.6717 0.0000 175.2378 867 R 4.1948 7.7863 118.6679 57.5324 30.2985 178.1280 868 V 3.7799 6.9844 117.3308 65.8923 32.0326 176.6724 869 A 4.5194 8.3259 118.4404 50.4290 19.3509 174.7338 870 K 3.7443 8.0037 122.1011 56.8003 28.7486 174.4168 871 G 4.5034 8.3977 109.4714 46.5091 0.0000 169.4827 872 S 4.8742 8.1492 113.1599 56.9503 66.6073 172.5503 873 G 4.0292 8.3632 108.8959 46.1772 0.0000 171.6731 874 G 4.1065 8.3347 106.2052 45.0068 0.0000 173.2980 875 G 4.0885 7.7556 106.2364 45.7328 0.0000 170.4165 876 R 4.7875 8.7309 123.5265 54.4781 33.0389 176.2791 877 K 5.1382 8.7448 115.6967 58.3181 33.2290 177.1195 878 D 5.0005 7.8789 117.0389 52.8301 41.5622 175.1842 879 V 5.1138 7.6810 118.4575 61.7513 35.4349 173.0276 880 A 4.7877 8.8231 126.8626 51.0397 23.1037 175.0929 881 Q 5.0329 9.3615 118.8217 52.1519 33.3130 174.7448 882 G 4.7046 8.1365 112.1458 45.9081 0.0000 172.1435 883 A 5.0384 7.8359 124.3518 51.6375 20.8282 176.0431 884 V 4.4061 8.6267 118.0097 62.6158 35.2351 174.0814 885 Q 4.2244 8.5765 120.5235 57.3351 30.1724 175.9964 886 Q 4.4178 7.9251 120.5985 54.3856 30.2107 174.8905 887 L 4.4749 8.4571 128.0152 53.6789 43.3726 175.3209 888 L 4.8518 8.1183 125.5669 52.6971 43.8868 175.9941 889 D 4.4556 8.7480 122.2180 53.9411 41.9107 176.9653 890 R 3.9204 8.7194 124.9560 59.6757 30.3530 177.4130 891 E 3.9410 9.8151 119.5191 59.4689 29.8992 178.3922 892 E 3.7743 7.6832 116.4262 58.0213 30.2615 179.0660 *894 L 3.8167 7.7762 119.3686 54.4222 43.5022 177.9795 895 D 4.3996 7.5872 118.3218 56.5926 40.9667 178.1541 896 V 3.6204 8.0296 118.9977 65.7048 31.3952 177.9904 897 I 3.8106 7.4661 117.7309 63.6063 37.9380 177.0875 898 F 4.1879 8.0142 116.4748 59.1505 38.9586 175.9824 899 R 4.3635 7.8554 119.1993 56.8385 30.5571 176.7105 900 F 4.8128 7.3298 117.9336 60.9279 40.1347 176.6458 901 L 3.5824 8.0116 118.8759 56.6180 41.1971 178.5714 902 S 4.4719 7.9874 114.6091 61.7291 62.6856 174.1559 903 E 4.0831 8.2770 124.3999 56.6449 29.3127 176.1792 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 737 G 8.20 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 0.00 0.00 0.00 738 E 7.98 4.23 0.00 2.28 2.18 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 2.32 2.43 0.00 739 A 8.13 4.31 1.32 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 0.00 0.00 740 A 7.55 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 0.00 741 I 7.64 3.61 1.87 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 1.54 0.63 0.91 0.00 0.00 742 E 7.96 3.96 0.00 2.08 2.12 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 2.30 2.32 0.00 743 A 7.32 3.98 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 0.00 744 V 8.03 3.68 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 0.90 0.00 0.00 0.92 0.00 0.00 745 E 8.30 4.04 0.00 2.31 1.92 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 2.32 2.36 0.00 746 E 8.04 3.86 0.00 2.08 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 0.00 2.31 2.43 0.00 *748 E 8.08 4.18 0.00 2.09 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 2.29 2.49 0.00 749 R 8.07 3.86 0.00 1.92 1.95 0.00 3.29 0.00 0.00 3.27 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.85 0.00 750 L 7.68 3.98 0.00 1.78 1.69 0.94 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 751 L 7.66 3.97 0.00 1.69 1.71 0.90 0.89 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 0.00 752 R 8.35 4.15 0.00 1.94 2.03 0.00 3.10 0.00 0.00 2.99 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.52 0.00 753 E 8.12 4.02 0.00 2.36 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 2.29 2.30 0.00 754 A 7.88 3.97 1.32 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 0.00 0.00 755 S 8.10 4.25 0.00 4.21 4.09 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 0.00 756 S 8.06 4.25 0.00 4.06 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 757 I 7.70 3.77 1.85 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.65 0.92 0.00 0.00 758 L 7.29 4.11 0.00 1.64 1.49 0.65 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 759 R 7.48 3.75 0.00 2.01 1.94 0.00 3.24 0.00 0.00 3.16 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.53 0.00 760 V 7.95 4.40 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.83 0.00 0.00 761 E 8.45 4.25 0.00 2.03 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.23 0.00 762 P 0.00 4.25 0.00 2.24 2.29 0.00 3.68 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 2.06 2.02 0.00 763 A 7.98 4.09 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 764 K 7.90 4.38 0.00 1.87 1.81 0.00 1.72 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.36 1.55 7.81 765 L 7.39 3.81 0.00 1.68 1.73 0.85 0.88 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 0.00 766 P 0.00 4.17 0.00 2.17 2.08 0.00 3.59 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.14 0.00 767 K 8.08 3.93 0.00 1.82 1.96 0.00 1.73 0.00 0.00 1.88 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.52 7.81 768 T 8.09 3.94 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 1.28 0.00 0.00 769 V 8.18 3.67 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 0.99 0.00 0.00 0.90 0.00 0.00 770 E 8.15 4.04 0.00 2.12 2.20 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 2.33 2.42 0.00 771 R 8.11 4.39 0.00 1.94 2.29 0.00 3.44 0.00 0.00 3.42 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.80 0.00 772 F 8.96 4.02 0.00 3.24 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 773 F 8.46 4.30 0.00 3.18 3.30 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 0.00 774 E 8.92 4.27 0.00 2.34 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.69 0.00 775 E 8.61 4.04 0.00 2.00 1.92 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 2.30 2.63 0.00 776 W 8.81 4.26 0.00 3.35 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 0.00 777 K 8.74 3.74 0.00 2.08 1.83 0.00 2.00 0.00 0.00 1.80 0.00 0.00 3.17 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.50 1.50 7.81 778 D 7.93 4.28 0.00 2.63 2.67 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 0.00 779 Q 8.39 4.10 0.00 1.82 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.76 0.00 0.00 0.00 0.00 0.00 2.29 2.47 0.00 780 R 7.00 3.64 0.00 1.74 1.65 0.00 2.21 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.93 0.00 781 K 7.85 3.84 0.00 1.80 1.92 0.00 1.49 0.00 0.00 1.54 0.00 0.00 2.98 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.45 7.81 782 E 8.82 3.85 0.00 2.07 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 2.25 2.31 0.00 783 I 8.04 3.66 1.81 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.55 0.87 0.00 0.00 784 E 7.44 3.92 0.00 2.12 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 2.27 2.32 0.00 785 R 7.76 3.97 0.00 1.93 1.93 0.00 3.16 0.00 0.00 3.15 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 786 L 8.01 3.92 0.00 1.68 1.69 0.88 1.17 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 0.00 787 K 8.02 3.84 0.00 2.06 1.91 0.00 1.80 0.00 0.00 1.57 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.63 7.81 788 S 8.14 4.19 0.00 3.99 4.00 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 0.00 867 R 7.79 4.19 0.00 1.83 1.95 0.00 3.26 0.00 0.00 3.15 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 868 V 6.98 3.78 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 0.85 0.00 0.00 0.99 0.00 0.00 869 A 8.33 4.52 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 0.00 870 K 8.00 3.74 0.00 1.96 1.97 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.36 7.81 871 G 8.40 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 0.00 0.00 0.00 0.00 872 S 8.15 4.87 0.00 3.84 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 873 G 8.36 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 0.00 874 G 8.33 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 875 G 7.76 4.09 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 0.00 876 R 8.73 4.79 0.00 1.74 1.88 0.00 3.13 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.53 0.00 877 K 8.74 5.14 0.00 1.93 2.07 0.00 1.64 0.00 0.00 1.84 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.51 1.35 7.81 878 D 7.88 5.00 0.00 2.90 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 0.00 879 V 7.68 5.11 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 0.95 0.00 0.00 0.98 0.00 0.00 880 A 8.82 4.79 1.22 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 0.00 0.00 881 Q 9.36 5.03 0.00 1.94 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.09 0.00 0.00 0.00 0.00 0.00 2.19 2.11 0.00 882 G 8.14 4.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 883 A 7.84 5.04 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 0.00 884 V 8.63 4.41 2.11 0.00 0.00 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 0.00 885 Q 8.58 4.22 0.00 2.12 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.48 0.00 0.00 0.00 0.00 0.00 2.64 2.32 0.00 886 Q 7.93 4.42 0.00 2.09 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.71 0.00 0.00 0.00 0.00 0.00 2.32 2.33 0.00 887 L 8.46 4.47 0.00 1.63 1.53 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 0.00 888 L 8.12 4.85 0.00 1.63 1.65 0.89 1.08 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 0.00 889 D 8.75 4.46 0.00 2.67 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 0.00 890 R 8.72 3.92 0.00 1.78 1.94 0.00 3.33 0.00 0.00 3.14 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.69 0.00 891 E 9.82 3.94 0.00 2.04 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 2.29 2.30 0.00 892 E 7.68 3.77 0.00 2.27 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 2.32 2.30 0.00 *894 L 7.78 3.82 0.00 1.63 1.29 0.87 0.82 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 0.00 895 D 7.59 4.40 0.00 2.67 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 896 V 8.03 3.62 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 0.92 0.00 0.00 0.97 0.00 0.00 897 I 7.47 3.81 1.70 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.28 0.65 0.00 0.00 898 F 8.01 4.19 0.00 3.18 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 0.00 899 R 7.86 4.36 0.00 1.92 2.14 0.00 3.25 0.00 0.00 3.19 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 900 F 7.33 4.81 0.00 3.04 3.14 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 0.00 901 L 8.01 3.58 0.00 0.38 0.72 0.09 -0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 902 S 7.99 4.47 0.00 4.29 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 0.00 903 E 8.28 4.08 0.00 2.00 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 2.25 2.32 0.00 * Residues marked with a * may have inaccurate shift predictions.