NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 820 K 4.2939 8.2993 121.7899 56.2661 33.2735 174.7426 821 I 4.5670 7.9877 118.5035 57.4979 40.8477 172.7278 822 P 4.4663 0.0000 0.0000 62.5877 32.7811 179.6027 823 V 3.7230 8.3781 115.2233 64.7018 31.6425 177.3132 824 E 4.2607 8.1905 115.5424 56.9138 29.4535 176.6402 825 A 4.3911 7.5279 122.3724 53.0576 19.3359 177.3777 826 D 4.6723 8.9131 118.4653 54.7429 38.9875 174.1629 827 F 4.6526 8.0763 117.8806 55.8126 41.4049 174.5703 828 L 5.1405 8.3316 123.9548 53.7311 44.7870 175.0749 829 Y 4.4775 9.6156 125.3519 56.5132 39.7714 175.2059 830 A 4.9214 8.5971 127.9013 50.8465 19.0491 175.7756 831 Y 4.3464 8.9217 119.4575 58.1408 38.9126 177.4519 832 S 2.7900 8.4530 116.3900 60.1886 63.7555 173.3466 833 T 5.0322 7.3953 113.1771 60.3791 70.6829 172.8528 834 A 4.2576 8.4243 126.1844 50.8049 19.9436 175.1491 835 P 4.2784 0.0000 0.0000 64.1744 31.4901 177.7091 836 G 3.8480 9.0853 111.2222 45.8094 0.0000 172.9981 837 Y 4.4628 7.4723 116.3480 56.4221 39.6228 174.5214 838 Y 4.3041 8.4157 122.2089 57.3375 39.6940 174.2141 839 S 4.6877 7.0575 116.7986 56.1379 65.2891 173.0951 840 W 4.0924 9.6577 128.4272 55.7907 30.1388 175.3461 841 R 4.7738 8.2969 123.7003 54.4500 32.7889 173.7371 842 N 5.0993 8.7551 124.2857 51.8033 40.4385 175.8556 843 S 4.2560 9.0376 121.9901 60.8031 63.0657 175.1847 844 K 4.5481 8.8750 116.9988 56.5545 33.8213 176.2876 845 D 4.7260 8.7041 117.0551 53.5499 42.4854 176.5161 846 G 4.0078 8.2817 106.5127 44.6284 0.0000 173.0228 847 S 4.6575 8.2385 112.9766 57.8995 64.9393 175.2621 848 W 3.8534 8.4409 123.8738 59.8591 28.7135 178.6726 849 F 4.3937 8.3095 120.0012 61.6569 38.8904 177.1186 850 I 3.4928 7.7764 119.3122 64.1434 36.8534 178.4326 851 Q 4.0902 8.0790 118.1727 59.0639 28.5095 178.7642 852 S 4.2174 7.9668 116.9648 61.2608 63.1027 176.1338 853 L 3.8659 7.9705 123.4268 58.4516 41.7504 178.9275 854 C 4.1670 8.1060 116.4163 62.3869 27.9741 175.9983 855 A 3.9760 7.8671 122.1384 55.5031 18.0724 179.5578 856 M 4.2332 8.1735 117.2117 58.5906 32.0294 179.0092 857 L 4.1271 7.9382 118.7973 57.9158 41.6137 179.6581 858 K 3.9107 7.9112 117.1012 59.2993 32.0006 178.6059 859 Q 4.1228 7.6045 116.3400 56.7301 29.4106 176.1535 860 Y 4.7840 8.1793 115.1163 57.5069 38.8841 177.3355 861 A 4.3315 8.2507 125.0431 54.5209 18.5517 178.6564 862 D 4.3803 8.0181 113.2941 52.8244 39.8491 176.7098 863 K 4.3877 7.9417 117.4649 57.9403 35.3244 176.5120 864 L 4.8630 8.0056 116.7044 52.6505 43.6740 176.1945 865 E 3.4035 8.3636 121.7572 55.4412 30.5699 177.3478 866 F 4.4123 8.9421 126.4791 62.1180 38.9849 177.7252 867 M 3.9301 8.5059 118.0075 58.5724 31.6111 178.3913 868 H 4.3585 7.9709 115.9975 58.3914 28.8725 177.9489 869 I 3.7339 7.4810 121.6213 64.2958 37.1460 178.1255 870 L 4.0654 7.6986 119.2966 57.4445 41.3500 179.5440 871 T 4.0139 7.4679 116.0484 66.2571 68.3701 177.1752 872 R 3.8965 7.6877 119.9349 59.0911 30.1090 179.0865 873 V 3.6575 7.8761 118.0346 66.1289 31.6543 177.6487 874 N 4.3992 8.2318 116.1062 56.5240 38.4659 177.3426 875 R 3.9207 8.1140 119.8704 59.1715 30.0992 178.3586 876 K 3.9670 8.2990 119.5311 59.7000 32.0391 178.9330 877 V 3.8875 7.8629 116.8551 66.1120 31.5574 177.5361 878 A 4.4502 7.8924 120.3829 53.9880 18.3122 179.1633 879 T 4.2397 7.8668 113.3775 65.4921 69.2215 176.0023 879A E 4.3350 7.9173 117.4368 55.6750 29.6752 175.7614 880 F 4.1387 7.4694 116.4253 55.5494 42.6090 173.5985 881 E 4.9291 7.6797 124.0390 54.9216 32.7028 174.3144 881A S 4.6005 8.5246 120.9272 57.7173 64.8555 172.5659 881B F 5.2614 8.7193 124.6226 56.5690 41.2789 174.0291 881C S 4.2707 7.8381 118.9981 56.9182 64.8930 174.0974 881D F 4.3442 8.3748 123.3534 59.2860 39.4862 174.9656 881E D 4.7146 8.4447 121.9156 52.3864 41.6372 176.5431 881F A 4.0829 8.8235 130.4355 55.7299 18.6719 179.2635 881G T 3.6825 8.0225 111.5058 66.3882 68.4453 175.1702 881H F 4.8632 8.0023 116.0514 57.3469 39.3961 174.9700 881I H 4.4898 7.9075 120.4827 56.1216 30.8805 174.6295 882 A 3.7507 8.1763 127.0975 53.2923 16.6503 177.1795 883 K 4.6221 8.1392 120.3489 55.0981 34.6305 176.6812 884 K 5.1448 8.3938 119.8479 54.8719 34.9283 175.2917 885 Q 4.7033 8.4211 119.2313 54.7057 32.3582 172.9809 886 I 4.9279 8.0621 122.9156 58.6267 41.1935 173.0006 887 P 4.7431 0.0000 0.0000 62.1441 32.8776 175.6189 888 C 4.5576 8.7851 120.3102 57.9282 34.1944 172.7756 889 I 4.3972 8.4500 128.0810 60.9318 37.6644 176.1555 890 V 4.1384 8.9370 128.6169 61.0896 32.7263 173.8937 *892 S 4.6929 8.3634 121.1650 58.0757 63.5731 172.9376 893 M 5.0564 8.7777 124.7907 55.1725 34.3469 175.1294 894 L 4.4522 7.9799 118.4461 55.1079 42.4146 177.5529 895 T 4.2651 8.3991 118.1823 64.7356 69.1864 174.5084 896 K 4.7364 7.5136 118.1961 54.1053 36.3298 175.1405 897 E 4.3156 8.5773 119.1983 56.3839 30.4631 176.4421 898 L 4.5917 9.1191 125.6002 53.4279 44.5713 174.6705 899 Y 4.7296 8.2787 122.8928 56.0455 41.1858 175.3559 900 F 4.8255 9.0811 121.1640 57.6840 39.3917 175.4405 901 Y 4.5017 7.6534 124.9231 57.2231 38.0008 174.9992 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 820 K 8.30 4.29 0.00 1.72 1.80 0.00 1.58 0.00 0.00 1.71 0.00 0.00 3.10 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.51 7.81 821 I 7.99 4.57 1.90 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 0.99 0.92 0.00 0.00 822 P 0.00 4.47 0.00 2.25 2.04 0.00 3.63 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 2.14 2.13 0.00 823 V 8.38 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 0.74 0.00 0.00 0.97 0.00 0.00 824 E 8.19 4.26 0.00 2.00 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 2.32 2.23 0.00 825 A 7.53 4.39 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 0.00 826 D 8.91 4.67 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 0.00 827 F 8.08 4.65 0.00 3.10 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 0.00 828 L 8.33 5.14 0.00 1.69 1.60 1.10 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 829 Y 9.62 4.48 0.00 3.14 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 0.00 830 A 8.60 4.92 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.92 4.35 0.00 3.04 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 0.00 832 S 8.45 2.79 0.00 3.85 3.99 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 0.00 833 T 7.40 5.03 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 1.25 0.00 0.00 834 A 8.42 4.26 1.11 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 0.00 835 P 0.00 4.28 0.00 1.93 1.91 0.00 3.71 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.90 0.00 836 G 9.09 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 0.00 0.00 0.00 837 Y 7.47 4.46 0.00 3.13 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 838 Y 8.42 4.30 0.00 2.78 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 0.00 839 S 7.06 4.69 0.00 3.68 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 840 W 9.66 4.09 0.00 1.78 1.74 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 0.00 841 R 8.30 4.77 0.00 1.65 1.67 0.00 3.20 0.00 0.00 3.10 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.66 0.00 842 N 8.76 5.10 0.00 3.16 3.08 0.00 0.00 6.99 7.62 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 0.00 843 S 9.04 4.26 0.00 3.96 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 0.00 844 K 8.87 4.55 0.00 1.83 1.94 0.00 1.60 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.49 1.49 7.81 845 D 8.70 4.73 0.00 2.80 2.95 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 0.00 846 G 8.28 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 847 S 8.24 4.66 0.00 4.18 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 848 W 8.44 3.85 0.00 3.18 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 849 F 8.31 4.39 0.00 3.09 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 0.00 850 I 7.78 3.49 1.87 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.68 0.87 0.00 0.00 851 Q 8.08 4.09 0.00 2.39 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.83 0.00 0.00 0.00 0.00 0.00 2.75 2.55 0.00 852 S 7.97 4.22 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 0.00 853 L 7.97 3.87 0.00 1.11 1.46 0.94 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 854 C 8.11 4.17 0.00 3.01 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 0.00 855 A 7.87 3.98 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 856 M 8.17 4.23 0.00 2.23 2.22 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.98 0.00 857 L 7.94 4.13 0.00 1.88 1.70 0.92 0.77 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 0.00 858 K 7.91 3.91 0.00 1.89 1.84 0.00 1.67 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.45 1.74 7.81 859 Q 7.60 4.12 0.00 1.24 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.97 0.00 0.00 0.00 0.00 0.00 2.18 2.53 0.00 860 Y 8.18 4.78 0.00 3.09 2.95 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 0.00 861 A 8.25 4.33 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 0.00 862 D 8.02 4.38 0.00 2.46 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 0.00 863 K 7.94 4.39 0.00 1.90 1.95 0.00 1.82 0.00 0.00 1.80 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.33 1.39 7.81 864 L 8.01 4.86 0.00 1.75 1.64 0.54 0.85 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 0.00 865 E 8.36 3.40 0.00 1.55 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.79 0.00 866 F 8.94 4.41 0.00 2.82 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 0.00 867 M 8.51 3.93 0.00 2.03 2.21 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 2.59 2.70 0.00 868 H 7.97 4.36 0.00 3.25 3.25 0.00 5.63 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 0.00 869 I 7.48 3.73 2.10 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.22 1.07 0.00 0.00 870 L 7.70 4.07 0.00 1.50 1.64 0.67 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 871 T 7.47 4.01 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 872 R 7.69 3.90 0.00 1.94 1.94 0.00 3.01 0.00 0.00 2.94 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.43 0.00 873 V 7.88 3.66 2.35 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 1.18 0.00 0.00 0.98 0.00 0.00 874 N 8.23 4.40 0.00 3.04 2.90 0.00 0.00 6.71 7.17 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 0.00 875 R 8.11 3.92 0.00 1.90 2.07 0.00 3.10 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 876 K 8.30 3.97 0.00 2.07 2.08 0.00 1.79 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.66 1.64 7.81 877 V 7.86 3.89 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 1.18 0.00 0.00 1.15 0.00 0.00 878 A 7.89 4.45 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 0.00 879 T 7.87 4.24 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 879A E 7.92 4.34 0.00 1.34 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.34 0.00 880 F 7.47 4.14 0.00 2.61 1.45 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.68 4.93 0.00 1.79 1.64 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 2.12 2.36 0.00 881A S 8.52 4.60 0.00 3.26 2.63 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 881B F 8.72 5.26 0.00 2.97 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 881C S 7.84 4.27 0.00 3.92 3.70 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 881D F 8.37 4.34 0.00 3.10 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 881E D 8.44 4.71 0.00 2.80 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 881F A 8.82 4.08 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 881G T 8.02 3.68 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 0.69 0.00 0.00 881H F 8.00 4.86 0.00 3.21 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 881I H 7.91 4.49 0.00 3.26 3.32 0.00 6.10 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 882 A 8.18 3.75 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 883 K 8.14 4.62 0.00 1.49 1.96 0.00 1.74 0.00 0.00 1.69 0.00 0.00 3.22 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.68 1.85 7.81 884 K 8.39 5.14 0.00 1.78 1.79 0.00 1.78 0.00 0.00 1.83 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.35 7.81 885 Q 8.42 4.70 0.00 2.44 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.14 6.87 0.00 0.00 0.00 0.00 0.00 2.46 2.47 0.00 886 I 8.06 4.93 1.86 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.17 0.78 0.00 0.00 887 P 0.00 4.74 0.00 2.34 1.84 0.00 3.78 0.00 0.00 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.02 0.00 888 C 8.79 4.56 0.00 2.88 2.83 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 0.00 0.00 0.00 889 I 8.45 4.40 1.90 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.69 0.94 0.00 0.00 890 V 8.94 4.14 2.56 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 1.08 0.00 0.00 1.00 0.00 0.00 *892 S 8.36 4.69 0.00 4.03 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 0.00 893 M 8.78 5.06 0.00 2.11 2.33 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.61 0.00 894 L 7.98 4.45 0.00 1.72 1.62 1.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 895 T 8.40 4.27 4.39 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 1.22 0.00 0.00 896 K 7.51 4.74 0.00 1.67 1.68 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 1.43 7.81 897 E 8.58 4.32 0.00 1.97 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 2.27 2.31 0.00 898 L 9.12 4.59 0.00 1.54 1.35 0.51 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 899 Y 8.28 4.73 0.00 2.45 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 900 F 9.08 4.83 0.00 3.40 3.07 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 0.00 901 Y 7.65 4.50 0.00 3.11 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.