NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 803 L 4.2993 8.1844 120.6290 54.8952 42.9351 176.3382 804 D 4.0111 7.9766 120.8698 56.6985 41.8921 171.1557 805 A 3.7931 8.8580 128.9097 50.8397 18.9992 175.4475 806 P 4.5124 0.0000 0.0000 63.1686 33.1229 174.6621 807 S 4.9766 8.3742 123.7873 57.6287 61.3673 176.1734 808 Q 3.5720 8.9178 125.9564 57.6936 28.4826 177.4216 809 I 4.5986 8.6745 121.7841 63.4889 33.8224 171.7930 810 E 4.4738 7.7578 120.6481 56.1245 32.5291 176.9003 811 V 5.2574 7.6112 117.5157 62.6642 34.7423 173.1625 812 K 4.2048 8.3393 119.5717 56.6790 36.2304 175.7681 813 D 4.6918 8.8541 121.7602 55.2432 37.6559 174.6615 814 V 4.3008 7.4215 113.6439 60.8367 30.3385 175.0628 *818 T 4.2289 8.0245 115.9078 63.3838 70.8610 171.5227 819 A 4.5331 7.5306 120.4324 52.9116 24.5766 175.1526 820 L 4.6398 7.3559 118.3385 54.2987 44.7815 174.8300 821 I 5.1145 9.5592 128.6399 59.8232 39.9894 174.8553 822 T 4.3251 8.2139 115.3761 60.5844 72.5033 173.1662 823 W 4.6125 7.5314 118.8057 57.3467 31.5087 174.8112 824 S 4.5950 8.9179 111.1649 58.1080 64.2089 172.5248 *831 E 4.1962 8.2052 120.8628 55.7555 30.7252 174.8060 832 G 4.3968 8.6634 111.9677 44.7169 0.0000 170.7578 833 I 4.9226 8.2723 119.7876 59.3260 40.1246 174.3881 834 E 4.5303 9.0343 127.3338 54.3425 31.7747 174.0813 835 L 4.8680 8.7098 129.7991 53.9080 44.0223 175.0237 836 T 5.2827 8.8067 123.0761 61.9508 71.8757 172.7368 837 Y 5.9231 8.6632 124.3588 54.2665 42.2675 174.4718 838 G 4.4875 8.5205 106.3565 46.1812 0.0000 172.1825 839 I 3.5849 8.3290 121.0441 60.8980 37.2740 176.2020 840 K 3.8696 8.7014 128.1365 59.6723 31.7819 177.3600 841 D 4.4530 7.4864 117.0130 56.5373 41.4817 176.5818 842 V 3.7301 7.3018 119.3689 62.1578 32.5630 174.4496 843 P 4.3357 0.0000 0.0000 65.9398 31.6226 178.6117 844 G 3.7657 8.1664 107.2514 47.4151 0.0000 172.4895 845 D 4.5583 7.7740 117.7914 52.5144 42.1867 174.6411 846 R 4.6988 8.1331 123.2108 54.5214 33.5825 175.2562 847 T 4.3790 8.1831 115.4170 62.4857 71.5835 173.6025 848 T 5.5900 8.3374 122.7787 61.1736 71.2735 174.1836 849 I 4.5626 7.8284 125.0024 59.8356 41.5463 173.8751 850 D 5.0005 8.7830 127.0333 53.9331 41.6363 175.8378 851 L 4.8754 7.9697 122.8038 52.9000 44.0447 176.8272 852 T 3.9987 8.3032 118.6316 63.6392 69.0857 174.3139 853 E 4.1955 8.7977 122.8850 59.3028 29.8968 177.8892 854 D 5.0104 7.8886 117.3181 53.2879 40.7120 175.7650 855 E 4.7254 7.8874 117.4439 54.8201 32.5572 176.4086 856 N 4.0366 8.0743 117.8229 52.1060 40.5817 173.3876 857 Q 4.3911 6.8497 113.8643 55.5653 31.0281 172.8620 858 Y 4.7206 10.1250 121.2479 56.1750 42.8693 174.0349 859 S 4.4304 6.9906 120.9775 56.8201 62.6016 172.9908 860 I 4.0765 8.1915 128.0783 60.3124 38.4261 175.5754 861 G 4.0094 8.0772 110.9150 45.2590 0.0000 171.8445 862 N 4.1335 7.9927 113.6861 54.6639 35.6452 176.6121 863 L 4.6486 7.0749 119.8707 52.1252 41.8743 175.8843 864 K 4.4606 7.8863 120.3281 53.6049 32.3506 174.7321 865 P 4.3512 0.0000 0.0000 63.2642 31.8127 175.1342 866 D 4.3408 8.5467 115.5506 55.3428 39.9688 172.6767 867 T 4.4770 7.3144 112.3484 60.9271 70.8432 173.6906 868 E 4.3903 8.6561 127.7949 56.6451 30.5679 174.8875 869 Y 4.8829 9.3519 126.0007 56.2671 41.1198 174.1809 870 E 4.8150 9.1229 123.9981 54.8407 31.9802 174.5875 871 V 5.0319 9.2401 127.3833 61.3146 34.0309 174.1134 872 S 5.2776 9.6725 123.2030 56.4629 65.5942 172.5051 873 L 5.4891 8.8401 125.5635 51.7411 45.2325 175.5731 874 I 4.7609 8.0621 116.1677 58.8658 41.0183 174.3887 875 S 4.9068 8.2757 118.2648 58.0012 63.9461 173.0841 876 R 4.9055 9.5033 124.7890 54.4878 34.2565 174.7814 877 R 4.4000 8.4062 122.0059 54.3382 32.7537 175.0744 878 G 3.9709 8.8645 118.6412 47.3878 0.0000 172.8307 879 D 4.7387 8.8371 125.0995 54.3147 41.0489 175.3405 880 M 4.9123 7.7329 119.5480 53.6811 35.2466 175.0044 881 S 5.3737 8.8349 116.5426 55.6765 67.2674 173.0499 882 S 4.8523 8.3777 115.2558 55.9628 65.9069 173.2670 883 N 4.2353 8.8158 116.9113 53.4263 38.8089 173.2943 884 P 4.5858 0.0000 0.0000 62.7132 32.4747 175.6084 885 A 4.5091 8.8457 126.6738 51.0254 20.2019 176.3505 886 K 5.1986 8.6019 120.8180 54.7119 35.8509 175.3316 887 E 4.7460 9.0635 122.7010 55.1773 33.5768 173.8532 888 T 5.7439 8.9868 123.3062 61.4738 69.9622 173.7245 889 F 5.2616 8.6328 120.5239 55.4668 42.2434 173.7597 890 T 5.8635 8.5426 114.8938 60.9631 72.0506 174.2111 891 T 4.3713 8.9031 121.8219 64.1119 68.1535 174.1083 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 803 L 8.18 4.30 0.00 1.65 1.72 0.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 804 D 7.98 4.01 0.00 2.72 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 0.00 805 A 8.86 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 806 P 0.00 4.51 0.00 1.83 1.20 0.00 3.55 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.58 0.00 807 S 8.37 4.98 0.00 3.95 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 0.00 808 Q 8.92 3.57 0.00 2.08 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.29 0.00 0.00 0.00 0.00 0.00 2.40 2.52 0.00 809 I 8.67 4.60 1.95 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 1.28 0.91 1.08 0.00 0.00 810 E 7.76 4.47 0.00 2.03 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 2.32 2.26 0.00 811 V 7.61 5.26 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.25 0.00 0.00 0.80 0.00 0.00 812 K 8.34 4.20 0.00 1.61 1.54 0.00 1.68 0.00 0.00 1.78 0.00 0.00 2.77 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.33 1.36 7.81 813 D 8.85 4.69 0.00 2.72 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 0.00 814 V 7.42 4.30 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.95 0.00 0.00 *818 T 8.02 4.23 4.20 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 1.20 0.00 0.00 819 A 7.53 4.53 0.93 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 0.00 0.00 820 L 7.36 4.64 0.00 1.58 1.50 0.78 0.83 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 0.00 821 I 9.56 5.11 2.04 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 1.10 1.07 1.17 0.00 0.00 822 T 8.21 4.33 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 1.12 0.00 0.00 823 W 7.53 4.61 0.00 3.21 3.26 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 0.00 824 S 8.92 4.60 0.00 3.90 3.83 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 *831 E 8.21 4.20 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 2.21 2.33 0.00 832 G 8.66 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 833 I 8.27 4.92 1.96 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 0.25 0.56 0.55 0.00 0.00 834 E 9.03 4.53 0.00 2.04 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 0.00 2.14 2.16 0.00 835 L 8.71 4.87 0.00 1.69 1.34 1.03 1.00 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 0.00 836 T 8.81 5.28 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 1.16 0.00 0.00 837 Y 8.66 5.92 0.00 3.23 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 0.00 838 G 8.52 4.49 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 0.00 0.00 0.00 0.00 0.00 0.00 839 I 8.33 3.58 1.71 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.44 0.69 0.00 0.00 840 K 8.70 3.87 0.00 1.53 1.82 0.00 1.66 0.00 0.00 1.69 0.00 0.00 3.06 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.74 1.44 7.81 841 D 7.49 4.45 0.00 2.61 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 0.00 842 V 7.30 3.73 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 0.78 0.00 0.00 0.87 0.00 0.00 843 P 0.00 4.34 0.00 2.24 2.26 0.00 3.75 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.94 0.00 844 G 8.17 3.77 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 0.00 0.00 0.00 845 D 7.77 4.56 0.00 2.58 2.58 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 0.00 0.00 0.00 0.00 846 R 8.13 4.70 0.00 1.59 1.91 0.00 3.11 0.00 0.00 3.18 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.59 0.00 847 T 8.18 4.38 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 1.06 0.00 0.00 848 T 8.34 5.59 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 1.15 0.00 0.00 849 I 7.83 4.56 1.52 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 1.23 0.75 0.80 0.00 0.00 850 D 8.78 5.00 0.00 2.54 2.58 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 0.00 0.00 0.00 0.00 851 L 7.97 4.88 0.00 1.57 1.83 1.24 0.87 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 0.00 852 T 8.30 4.00 4.29 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 0.00 0.00 0.00 1.24 0.00 0.00 853 E 8.80 4.20 0.00 2.10 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 2.31 2.40 0.00 854 D 7.89 5.01 0.00 2.66 2.66 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 0.00 855 E 7.89 4.73 0.00 2.18 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 2.24 2.42 0.00 856 N 8.07 4.04 0.00 2.42 2.31 0.00 0.00 6.70 7.43 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 0.00 857 Q 6.85 4.39 0.00 1.97 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.72 0.00 0.00 0.00 0.00 0.00 1.99 2.16 0.00 858 Y 10.13 4.72 0.00 3.30 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 0.00 859 S 6.99 4.43 0.00 3.62 3.35 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 0.00 860 I 8.19 4.08 1.63 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.55 0.01 0.00 0.00 861 G 8.08 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 0.00 862 N 7.99 4.13 0.00 2.86 3.10 0.00 0.00 6.67 7.85 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 0.00 863 L 7.07 4.65 0.00 1.60 1.62 0.71 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 864 K 7.89 4.46 0.00 1.84 1.76 0.00 1.73 0.00 0.00 1.74 0.00 0.00 3.14 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.63 7.81 865 P 0.00 4.35 0.00 2.20 2.02 0.00 3.78 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.12 0.00 866 D 8.55 4.34 0.00 2.72 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 0.00 867 T 7.31 4.48 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 0.59 0.00 0.00 868 E 8.66 4.39 0.00 1.97 1.73 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 2.34 2.32 0.00 869 Y 9.35 4.88 0.00 1.83 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.12 4.82 0.00 2.05 1.86 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 2.28 2.26 0.00 871 V 9.24 5.03 2.38 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 0.99 0.00 0.00 1.31 0.00 0.00 872 S 9.67 5.28 0.00 3.86 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 0.00 873 L 8.84 5.49 0.00 1.45 1.15 0.77 -0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 874 I 8.06 4.76 1.81 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.14 0.96 0.00 0.00 875 S 8.28 4.91 0.00 3.85 3.71 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 0.00 876 R 9.50 4.91 0.00 1.69 1.73 0.00 3.08 0.00 0.00 3.06 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.50 0.00 877 R 8.41 4.40 0.00 1.86 1.74 0.00 3.21 0.00 0.00 3.17 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 878 G 8.86 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 0.00 0.00 0.00 879 D 8.84 4.74 0.00 2.65 2.69 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 0.00 0.00 0.00 0.00 880 M 7.73 4.91 0.00 1.90 2.05 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.47 0.00 881 S 8.83 5.37 0.00 3.67 3.68 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 0.00 882 S 8.38 4.85 0.00 3.81 3.79 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 0.00 883 N 8.82 4.24 0.00 2.61 2.82 0.00 0.00 6.96 8.02 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 0.00 884 P 0.00 4.59 0.00 1.91 1.96 0.00 3.64 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.06 0.00 885 A 8.85 4.51 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 886 K 8.60 5.20 0.00 1.63 1.72 0.00 1.73 0.00 0.00 1.64 0.00 0.00 2.89 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.34 1.39 7.81 887 E 9.06 4.75 0.00 2.09 1.86 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 2.32 2.36 0.00 888 T 8.99 5.74 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 1.28 0.00 0.00 889 F 8.63 5.26 0.00 3.04 3.18 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 0.00 890 T 8.54 5.86 4.31 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 1.23 0.00 0.00 891 T 8.90 4.37 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 1.46 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.