NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 855 P 4.3408 0.0000 0.0000 62.9488 33.6882 173.7758 856 Y 4.7137 8.5849 117.3848 57.4087 38.9757 173.6516 857 L 4.5876 9.0309 125.0236 53.1712 44.5082 175.4898 858 V 5.1160 8.5042 125.3478 59.7907 32.5680 173.1855 859 P 4.8861 0.0000 0.0000 62.2859 33.0387 175.2862 860 D 4.7333 8.6967 121.6153 53.2617 42.8982 177.3245 861 T 3.8756 8.4329 111.2360 64.8251 68.3992 176.3788 862 Q 3.9594 8.0241 120.6222 58.5195 28.9021 178.0142 863 A 4.0345 7.9197 121.3274 55.2798 18.1985 179.4790 864 L 3.9732 7.5338 116.0155 57.5921 41.8326 178.8001 865 C 4.2758 7.9956 115.5953 61.2430 28.3992 174.0473 866 H 4.9057 8.1669 114.6736 55.7671 30.7785 173.5002 867 H 4.9549 8.1678 117.4824 53.8960 30.0310 175.2876 868 L 3.7535 8.2129 122.7886 58.0802 41.7636 175.8555 869 P 4.0775 0.0000 0.0000 65.2844 31.2502 178.7531 870 V 3.2675 7.4894 116.8247 65.6148 31.5287 177.9707 871 I 3.5485 7.6518 119.6884 64.1249 36.8128 178.1130 872 R 4.3644 7.6525 120.9043 59.0079 29.7042 178.4661 873 Q 4.1834 7.7784 117.3063 59.0530 28.5563 178.9323 874 L 3.4639 7.6660 118.3427 57.5063 41.5256 179.1964 875 A 4.2411 8.5082 121.1338 55.4986 18.2873 179.6233 876 T 3.9889 8.1903 106.1940 63.7893 69.0648 176.4043 877 S 4.4988 7.7761 117.6139 59.6813 62.9937 175.4871 878 G 2.3797 6.9446 107.7529 45.3446 0.0000 173.9694 879 R 4.0939 7.3746 116.6454 55.7219 30.6502 176.2427 880 F 4.9177 7.1173 116.1538 55.8142 43.3001 174.2841 881 I 4.2576 8.3266 124.6297 60.5942 38.1549 175.4688 882 V 4.4603 9.0334 129.8171 62.0380 32.6979 174.7453 883 I 4.8057 8.8165 130.6511 59.9636 38.9740 174.9442 884 I 4.6099 9.0784 129.7609 59.1088 39.1233 173.8839 885 P 4.6380 0.0000 0.0000 62.0039 32.3023 176.8370 886 R 3.8148 8.1000 121.4979 60.2241 29.7972 178.6413 887 T 3.7985 7.8537 111.9113 65.1447 67.3335 176.0387 888 V 3.4468 7.5546 119.7169 65.9711 31.7559 177.9290 889 I 3.6995 8.2730 119.9556 64.5129 36.9215 178.2330 890 D 4.4579 8.4745 120.1037 56.9989 40.4103 178.6027 891 G 3.7891 8.6556 106.6704 48.0800 0.0000 175.1231 892 L 4.1379 8.0021 121.7962 57.5857 41.5819 179.6967 893 D 4.4702 7.8016 116.3503 56.6604 40.7024 178.5866 894 L 4.1626 7.6859 119.4211 57.6123 42.0454 178.6362 895 L 4.8005 7.5592 117.7595 53.5854 41.5107 178.7692 896 K 4.0306 7.6837 117.5258 57.3266 31.0955 177.5038 *898 E 4.3879 7.9144 116.3529 55.1490 31.8777 174.8084 899 H 4.9313 8.8734 115.3529 53.3678 31.9375 173.6920 900 P 4.5592 0.0000 0.0000 65.0322 31.2720 178.8811 901 G 3.6400 8.1895 104.1869 47.9013 0.0000 174.9404 902 A 3.9751 8.0429 123.2163 54.6761 18.2642 179.5263 903 R 3.8075 7.5888 115.4174 59.8944 30.3012 178.6124 904 D 4.5278 8.5039 118.6246 56.6627 40.6882 179.1554 905 G 3.5697 8.3133 107.1638 47.8224 0.0000 175.5843 906 I 3.7022 7.6907 123.1580 64.2224 37.2252 178.4848 907 R 4.2312 8.1156 119.9286 58.9484 29.9186 178.4876 908 Y 4.1211 8.2039 119.0229 60.6678 38.7785 178.1364 909 L 3.7822 7.9840 119.9833 57.4989 41.3729 178.9800 910 E 3.9717 8.5439 118.8219 59.6490 29.6033 179.4202 911 A 3.9975 7.9597 120.4543 55.2156 18.5170 179.5750 912 E 3.8440 7.9662 117.1331 59.0418 29.4638 179.1819 913 F 4.1667 8.1637 120.8107 61.4525 39.3062 177.2222 914 K 3.5528 7.7695 116.5029 59.2321 31.9315 178.5657 915 K 4.2454 7.4781 115.2704 56.4829 32.2301 177.9285 916 G 3.7088 7.6736 108.4353 44.8172 0.0000 173.2733 917 N 4.3265 7.6186 118.0631 53.7110 38.5697 174.5481 918 R 4.0968 8.2055 126.6718 58.4580 30.7702 176.9667 919 Y 4.8093 7.9302 114.0587 58.5528 38.5928 174.7158 920 I 5.1559 7.7907 119.8152 59.5169 40.9693 174.6220 921 R 4.7601 9.0127 127.8912 54.5683 33.6655 174.3117 922 C 4.9029 8.6156 120.8741 58.9917 29.6103 173.4167 923 Q 4.4361 9.5695 124.0013 55.2088 30.0785 174.8303 924 K 4.5373 8.3352 121.8958 56.0713 34.4720 176.4488 925 E 4.2529 8.7348 124.1777 57.2455 26.9807 176.7684 *944 T 4.2444 7.8390 112.5063 62.1375 69.4970 175.2647 945 L 3.9820 8.1082 120.7159 57.8124 42.1491 178.1943 946 Y 4.5166 7.9055 114.8379 58.0754 39.3395 177.6953 947 K 3.2214 7.5421 120.6955 58.9787 31.4846 178.5797 948 I 3.5993 7.4691 113.2954 64.3710 36.7123 178.2881 949 L 4.0294 7.7329 120.2510 57.4408 41.3521 179.0607 950 D 4.4160 7.7470 117.6510 56.9561 40.9768 178.5394 951 S 4.1629 8.1260 114.2489 61.5788 62.5322 176.0939 952 C 4.1634 7.7451 116.0659 61.1128 29.1188 175.8326 953 K 3.9734 7.7536 120.4950 59.5352 31.0909 179.1351 954 Q 4.0642 8.1959 117.9593 58.2779 28.5074 177.9553 955 L 4.1487 7.6071 118.7935 56.4807 41.6196 178.4566 956 T 4.0686 7.3898 112.4126 64.0449 67.3618 176.1460 957 L 4.0870 7.2700 119.6404 57.8856 41.7699 178.8408 958 A 4.1670 7.8256 118.7993 54.2546 19.3077 178.2638 959 Q 4.0188 7.3989 116.6197 55.8272 26.5739 173.9268 *978 L 4.8918 7.7465 118.5631 54.6269 43.4945 175.6431 979 D 4.9985 8.4035 123.7811 53.7260 43.0742 175.4284 980 N 5.0629 8.9248 118.3735 50.5621 41.1906 172.0914 981 P 5.3455 0.0000 0.0000 61.0476 35.0793 173.3921 982 S 4.9952 8.7713 113.3086 58.2806 66.5277 171.6713 983 V 3.4651 8.7177 118.1974 60.6985 27.8916 172.4871 *993 A 4.3032 9.1203 129.0510 52.9105 19.8395 178.6467 994 A 4.1105 8.8903 124.3167 53.3615 19.7010 178.5715 995 A 4.3910 7.6614 118.2675 52.5396 19.0616 177.9324 996 H 4.5197 7.7234 118.3158 55.8194 30.8774 173.9632 *999 S 4.2776 8.4645 118.3463 57.2894 63.7603 173.8579 1000 V 4.2277 7.4334 118.4525 61.0852 31.7154 174.1289 1001 D 4.6815 8.4177 126.3122 54.9031 42.1850 175.7930 1002 I 4.9901 8.1053 119.7916 59.9167 41.0214 174.5607 1003 K 4.7124 8.3673 122.5926 54.8431 37.5472 174.9724 1004 N 4.6495 8.7477 119.4797 53.3167 39.5797 175.3804 1005 V 3.5217 8.3257 119.0696 65.3599 31.6558 179.0958 1006 L 4.0911 7.8618 117.4933 57.7740 41.5853 179.1037 1007 D 4.4138 8.1571 118.4478 57.5964 40.6488 178.4566 1008 F 4.0059 8.4185 119.8420 61.5564 39.5892 176.2330 1009 Y 4.4491 8.5187 119.3659 60.7702 38.4640 177.9734 1010 K 3.9196 8.2859 118.2950 59.1197 32.2294 179.0485 1011 Q 4.0452 8.0065 117.4614 57.6410 28.5375 177.7764 1012 W 4.5469 7.6666 129.0995 59.3903 31.2002 175.6761 1013 K 3.6200 7.5251 122.6492 56.5446 31.5763 175.9492 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 855 P 0.00 4.34 0.00 2.32 2.35 0.00 3.67 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 2.20 2.22 0.00 856 Y 8.58 4.71 0.00 2.99 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 0.00 857 L 9.03 4.59 0.00 1.47 1.29 -0.15 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 858 V 8.50 5.12 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 1.16 0.00 0.00 0.88 0.00 0.00 859 P 0.00 4.89 0.00 2.05 1.92 0.00 3.94 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.92 0.00 860 D 8.70 4.73 0.00 2.91 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.43 3.88 4.18 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 1.15 0.00 0.00 862 Q 8.02 3.96 0.00 2.07 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.43 2.53 0.00 863 A 7.92 4.03 1.38 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 0.00 0.00 0.00 864 L 7.53 3.97 0.00 1.76 1.71 0.91 0.71 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 0.00 865 C 8.00 4.28 0.00 2.82 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 0.00 866 H 8.17 4.91 0.00 3.09 3.05 0.00 5.62 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 867 H 8.17 4.95 0.00 3.26 3.16 0.00 5.83 0.00 0.00 0.00 0.00 7.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 868 L 8.21 3.75 0.00 1.79 1.55 0.68 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 869 P 0.00 4.08 0.00 2.08 1.99 0.00 3.50 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.05 0.00 870 V 7.49 3.27 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 0.87 0.00 0.00 0.75 0.00 0.00 871 I 7.65 3.55 1.69 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.17 0.80 0.00 0.00 872 R 7.65 4.36 0.00 1.32 2.00 0.00 3.20 0.00 0.00 3.44 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 873 Q 7.78 4.18 0.00 2.40 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.58 0.00 0.00 0.00 0.00 0.00 2.56 2.56 0.00 874 L 7.67 3.46 0.00 1.54 1.12 0.75 0.20 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 0.00 875 A 8.51 4.24 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.19 3.99 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 1.46 0.00 0.00 877 S 7.78 4.50 0.00 4.44 4.45 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 0.00 878 G 6.94 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 879 R 7.37 4.09 0.00 1.07 1.20 0.00 3.32 0.00 0.00 3.86 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.71 0.00 880 F 7.12 4.92 0.00 2.73 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 881 I 8.33 4.26 1.85 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 1.26 0.93 1.25 0.00 0.00 882 V 9.03 4.46 2.17 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 1.00 0.00 0.00 0.94 0.00 0.00 883 I 8.82 4.81 1.84 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.12 0.82 0.00 0.00 884 I 9.08 4.61 1.91 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 1.41 1.26 0.90 0.00 0.00 885 P 0.00 4.64 0.00 2.12 2.12 0.00 3.59 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.01 0.00 886 R 8.10 3.81 0.00 2.12 1.94 0.00 3.13 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.71 0.00 887 T 7.85 3.80 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 1.14 0.00 0.00 888 V 7.55 3.45 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 0.98 0.00 0.00 0.92 0.00 0.00 889 I 8.27 3.70 1.99 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 1.62 1.22 0.88 0.00 0.00 890 D 8.47 4.46 0.00 2.88 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 0.00 891 G 8.66 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 0.00 0.00 0.00 892 L 8.00 4.14 0.00 1.85 1.73 0.92 0.93 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 0.00 893 D 7.80 4.47 0.00 2.68 2.73 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 0.00 0.00 0.00 894 L 7.69 4.16 0.00 1.88 1.74 0.94 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 895 L 7.56 4.80 0.00 1.68 1.65 0.83 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 896 K 7.68 4.03 0.00 1.71 1.81 0.00 1.81 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.48 7.81 *898 E 7.91 4.39 0.00 2.35 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 0.00 2.33 2.37 0.00 899 H 8.87 4.93 0.00 3.28 3.16 0.00 5.80 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 900 P 0.00 4.56 0.00 2.16 2.08 0.00 3.62 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.12 0.00 901 G 8.19 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 0.00 0.00 0.00 902 A 8.04 3.98 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.59 3.81 0.00 2.10 2.09 0.00 3.11 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 904 D 8.50 4.53 0.00 2.87 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 905 G 8.31 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 906 I 7.69 3.70 2.03 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 1.66 1.14 0.97 0.00 0.00 907 R 8.12 4.23 0.00 2.06 2.04 0.00 3.31 0.00 0.00 3.21 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.78 0.00 908 Y 8.20 4.12 0.00 3.15 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 0.00 909 L 7.98 3.78 0.00 1.85 1.68 0.96 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 910 E 8.54 3.97 0.00 2.17 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 2.33 2.49 0.00 911 A 7.96 4.00 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 0.00 912 E 7.97 3.84 0.00 1.88 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 1.47 1.65 0.00 913 F 8.16 4.17 0.00 3.06 3.21 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 0.00 0.00 0.00 914 K 7.77 3.55 0.00 1.90 1.79 0.00 1.75 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.76 7.81 915 K 7.48 4.25 0.00 1.84 1.82 0.00 1.68 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.69 7.81 916 G 7.67 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 0.00 0.00 0.00 917 N 7.62 4.33 0.00 2.77 2.91 0.00 0.00 7.05 7.02 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 0.00 918 R 8.21 4.10 0.00 1.71 1.49 0.00 3.13 0.00 0.00 3.17 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 919 Y 7.93 4.81 0.00 3.36 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 0.00 920 I 7.79 5.16 1.98 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.14 1.00 0.00 0.00 921 R 9.01 4.76 0.00 1.81 1.77 0.00 3.23 0.00 0.00 3.26 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.61 0.00 922 C 8.62 4.90 0.00 2.80 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 0.00 923 Q 9.57 4.44 0.00 2.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.81 0.00 0.00 0.00 0.00 0.00 2.30 2.35 0.00 924 K 8.34 4.54 0.00 1.73 1.78 0.00 1.52 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.30 1.43 7.81 925 E 8.73 4.25 0.00 2.01 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.18 0.00 *944 T 7.84 4.24 4.21 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 0.00 0.00 1.22 0.00 0.00 945 L 8.11 3.98 0.00 1.76 1.78 0.95 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 946 Y 7.91 4.52 0.00 3.21 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 0.00 947 K 7.54 3.22 0.00 1.62 1.64 0.00 1.63 0.00 0.00 1.73 0.00 0.00 2.93 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.06 1.12 7.81 948 I 7.47 3.60 1.83 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 1.60 0.79 0.91 0.00 0.00 949 L 7.73 4.03 0.00 1.90 1.78 0.97 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 950 D 7.75 4.42 0.00 2.66 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 0.00 951 S 8.13 4.16 0.00 3.80 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 0.00 952 C 7.75 4.16 0.00 3.21 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 0.00 953 K 7.75 3.97 0.00 2.03 1.90 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.46 1.72 7.81 954 Q 8.20 4.06 0.00 2.24 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.84 0.00 0.00 0.00 0.00 0.00 2.35 2.53 0.00 955 L 7.61 4.15 0.00 1.85 1.67 0.92 0.65 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 0.00 956 T 7.39 4.07 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 1.30 0.00 0.00 957 L 7.27 4.09 0.00 1.85 1.67 0.89 0.74 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 0.00 958 A 7.83 4.17 1.04 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 0.00 959 Q 7.40 4.02 0.00 2.17 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.57 0.00 0.00 0.00 0.00 0.00 2.42 2.52 0.00 *978 L 7.75 4.89 0.00 1.74 1.63 1.19 1.40 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 0.00 979 D 8.40 5.00 0.00 2.58 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 0.00 980 N 8.92 5.06 0.00 2.48 2.57 0.00 0.00 6.53 7.48 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 0.00 981 P 0.00 5.35 0.00 2.07 2.16 0.00 3.91 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.90 0.00 982 S 8.77 5.00 0.00 4.01 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 0.00 983 V 8.72 3.47 2.08 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 0.66 0.00 0.00 0.93 0.00 0.00 *993 A 9.12 4.30 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 0.00 994 A 8.89 4.11 1.29 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 0.00 0.00 0.00 995 A 7.66 4.39 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 996 H 7.72 4.52 0.00 3.29 3.22 0.00 5.93 0.00 0.00 0.00 0.00 6.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *999 S 8.46 4.28 0.00 3.87 3.93 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 1000 V 7.43 4.23 2.08 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 0.96 0.00 0.00 0.94 0.00 0.00 1001 D 8.42 4.68 0.00 2.69 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 1002 I 8.11 4.99 1.86 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 1.32 0.78 0.89 0.00 0.00 1003 K 8.37 4.71 0.00 1.84 1.73 0.00 2.21 0.00 0.00 1.89 0.00 0.00 2.90 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.45 1.49 7.81 1004 N 8.75 4.65 0.00 2.73 2.69 0.00 0.00 6.83 7.71 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 1005 V 8.33 3.52 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 0.65 0.00 0.00 0.83 0.00 0.00 1006 L 7.86 4.09 0.00 1.67 1.76 0.90 1.02 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 1007 D 8.16 4.41 0.00 2.89 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1008 F 8.42 4.01 0.00 3.07 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 1009 Y 8.52 4.45 0.00 3.26 3.21 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 0.00 0.00 0.00 1010 K 8.29 3.92 0.00 1.82 1.86 0.00 1.89 0.00 0.00 1.92 0.00 0.00 3.08 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.57 1.72 7.81 1011 Q 8.01 4.05 0.00 2.01 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.88 0.00 0.00 0.00 0.00 0.00 2.32 2.32 0.00 1012 W 7.67 4.55 0.00 3.20 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 1013 K 7.53 3.62 0.00 1.34 1.43 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.26 1.21 7.81 * Residues marked with a * may have inaccurate shift predictions.