NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 825 N 4.6506 8.4249 119.2083 52.8884 40.8879 174.2715 826 E 4.1951 8.2321 117.4405 56.0692 30.3872 174.8582 827 D 4.3114 9.0111 120.6853 54.2249 42.4180 176.4350 828 W 5.0550 7.3555 118.6999 54.2494 32.4839 174.6069 829 C 4.1074 8.8172 122.5966 59.5301 31.1941 174.4428 830 A 3.9628 8.1260 130.9554 54.6876 17.8601 178.0510 831 V 4.1509 7.5224 114.9200 64.7907 32.2280 176.3734 832 C 4.3617 7.9846 112.8024 58.0173 30.4006 174.3145 833 Q 3.8566 8.3176 118.2765 56.8686 26.6468 172.3787 834 N 5.0849 7.7378 116.8502 51.9300 41.7153 173.4192 835 G 4.4618 8.4277 109.2718 44.1786 0.0000 170.4148 836 G 3.8211 8.6475 105.0481 44.0523 0.0000 172.3531 837 E 4.1183 8.7885 119.9299 56.4705 29.6066 176.1133 838 L 5.0017 8.3161 123.6784 52.6673 45.0591 175.8221 839 L 4.5560 9.3771 126.7707 54.6264 43.1394 175.3550 840 C 4.9692 8.7827 124.0885 59.2576 29.4864 172.8555 841 C 5.1909 8.7041 122.3864 58.8387 32.4953 173.2115 842 E 4.6368 8.3929 120.9195 56.3156 30.4526 177.2711 843 K 4.3623 8.0548 117.0903 56.9975 33.2002 175.5476 844 C 4.9495 7.6715 111.4881 55.7096 32.8567 171.8354 845 P 4.6318 0.0000 0.0000 63.3639 31.7017 176.2318 846 K 4.4758 7.8593 119.3337 56.8163 33.4447 176.1873 847 V 5.1133 7.7864 114.3469 60.0590 36.2586 174.3849 848 F 5.1625 9.0107 119.7139 56.6412 44.1239 173.7412 849 H 4.7955 8.8087 117.1258 54.6052 30.2026 176.4972 850 L 3.5514 8.4088 122.7890 58.0028 41.3724 179.2864 851 S 4.5005 7.7220 108.0984 57.8756 63.4526 174.1603 852 C 4.2123 7.7818 119.1156 61.5269 28.7941 173.9448 853 H 4.0493 7.8714 117.8770 55.6473 30.0332 174.2680 854 V 4.0567 6.9352 122.5901 59.9916 33.2346 173.7487 855 P 4.4431 0.0000 0.0000 62.1300 31.8847 176.1373 856 T 4.0601 8.1214 115.8044 63.6317 68.2418 173.5705 857 L 4.7494 8.3760 126.3880 53.3033 42.6596 177.9075 858 T 3.9227 8.4036 113.8898 63.6671 69.2672 173.7202 859 N 4.7427 6.9928 118.1679 52.0556 42.9809 174.0450 860 F 3.9923 8.5376 119.3988 56.3545 39.6188 174.0317 861 P 4.4544 0.0000 0.0000 63.0896 31.5867 176.7780 862 S 4.3119 8.8574 117.9428 59.8050 63.3431 173.6916 863 G 4.2779 7.6525 108.8299 43.1077 0.0000 172.5319 864 E 4.3777 8.5124 116.7345 56.3713 30.3703 176.3576 865 W 5.3238 9.4355 130.6243 55.8013 34.4776 173.6141 866 I 4.5350 7.4465 119.7359 58.5746 39.9297 175.0563 867 C 3.4406 7.8920 119.5441 57.6029 30.3376 174.5726 868 T 3.8549 8.1044 116.2467 66.5798 67.7821 176.5968 869 F 4.3994 7.6853 118.8340 60.3166 39.1100 176.6235 870 C 4.4257 7.9619 114.4737 60.1655 28.8125 174.3716 871 R 3.9765 7.4354 121.2623 55.6972 30.1168 175.6390 872 D 4.3999 8.9930 125.3390 54.7735 41.6528 176.5478 873 L 4.1289 8.4476 125.8644 57.5729 42.2349 178.5364 874 S 4.2823 8.2274 112.2037 60.4586 62.6105 174.7308 875 K 4.4653 9.2369 122.0182 52.6795 32.0545 172.8307 876 P 4.2483 0.0000 0.0000 62.9092 31.9003 176.8470 877 E 4.0818 8.6590 122.3671 58.4284 29.8115 177.2390 878 V 4.4624 7.1738 109.5365 59.2309 35.4652 174.3015 879 E 4.4117 8.3361 120.6026 54.5684 31.6355 175.9809 880 Y 4.6811 8.0999 121.5279 57.5763 38.4745 174.9780 881 D 4.4307 8.7360 122.6380 58.2972 41.5210 176.8987 882 C 4.1245 7.8262 116.6338 58.4995 28.1101 173.2027 *890 E 4.1932 7.9379 124.1620 56.2252 31.3196 175.4257 891 K 4.1174 7.8966 116.8586 56.6537 32.6838 175.3109 892 K 4.2784 8.1586 120.5206 55.0869 32.9743 176.2533 893 K 4.0701 8.4770 125.3235 56.1509 31.4059 176.8383 894 T 3.8162 8.5036 121.3586 64.0807 68.3254 174.2493 895 E 4.2786 8.8122 126.1254 56.5091 30.5622 176.5129 896 G 4.2283 8.7038 107.6035 46.1466 0.0000 173.0769 897 L 4.5751 7.4714 120.1519 52.8752 44.7684 175.3214 898 V 4.2633 8.5423 125.9822 61.3347 32.2901 174.5885 899 K 4.8873 8.2963 125.6981 53.9401 35.6341 176.0717 900 L 4.3372 8.1407 121.8011 55.5615 42.3690 177.7669 901 T 4.1533 8.6133 112.2788 61.0314 69.9233 173.5365 902 P 4.3142 0.0000 0.0000 65.8865 31.2763 178.9854 903 I 3.7081 7.7781 118.0579 64.7396 37.1552 178.1187 904 D 4.6258 8.2120 119.2494 57.0088 40.5493 178.8115 905 K 4.0100 8.2088 120.5825 59.5794 32.2259 179.1771 906 R 4.2228 8.2258 119.8875 58.6080 29.8486 179.2019 907 K 4.0215 8.2338 118.5909 59.5221 32.0382 178.9840 908 C 3.8900 8.0504 119.0717 62.2769 30.7923 175.4499 909 E 4.0226 8.2871 120.4999 59.2626 28.9483 179.3578 910 R 3.7019 8.1351 118.7924 59.2144 30.2091 178.4522 911 L 4.2229 8.3354 119.1624 57.9610 41.6776 179.4784 912 L 4.3352 8.6149 119.1289 57.9483 41.6700 179.4031 913 L 4.1204 8.3918 120.5744 58.1281 41.7102 178.8593 914 F 4.8096 8.5685 117.0709 61.0171 39.2807 177.3271 915 L 4.5687 8.5812 118.4409 58.3148 41.3467 179.1964 916 Y 4.2614 8.8893 117.0688 61.2147 37.6353 177.8841 917 C 4.7488 8.5337 115.1448 60.0528 29.1566 173.3628 918 H 4.3849 8.0953 122.8169 55.1770 30.1918 175.5569 919 E 3.9693 8.7255 124.8674 59.9586 29.2039 177.7317 920 M 4.5329 8.2043 115.8856 55.5103 32.2011 176.7804 921 S 4.7984 8.4049 115.3486 59.3138 64.5968 176.0249 922 L 3.8399 8.4064 123.5237 58.2839 41.5657 178.7828 923 A 3.8278 7.7433 118.3154 53.9204 18.4105 177.6285 924 F 4.8274 8.0315 113.5893 57.2067 40.3632 177.5169 925 Q 3.8002 8.3022 121.5293 58.4802 28.6454 175.9684 926 D 5.6196 7.4689 113.6822 50.3337 44.0056 174.0322 927 P 4.3312 0.0000 0.0000 62.5841 31.8365 176.8853 928 V 3.4328 7.9664 120.9698 62.1006 31.9470 174.4061 929 P 4.4686 0.0000 0.0000 62.6162 31.7437 177.0877 930 L 4.3702 8.3144 119.3738 56.4605 41.7107 178.0515 931 T 4.2378 7.7741 107.8625 62.3280 69.6257 175.0033 932 V 4.5411 7.5125 121.8488 60.5195 31.4073 173.8300 933 P 4.4634 0.0000 0.0000 66.0311 32.0276 179.0535 934 D 4.4680 8.4575 118.4865 57.3256 40.6103 177.8154 935 Y 3.3166 7.9094 119.7655 60.9162 38.4907 177.6854 936 Y 4.2802 7.6112 113.7195 59.1215 38.1207 176.9479 937 K 4.3654 7.7822 118.8350 57.5302 33.1545 178.0104 938 I 4.2700 7.5915 119.1382 62.3929 37.7619 176.3394 939 I 3.8585 7.3949 122.7085 60.4260 36.3281 176.1237 940 K 4.3179 8.4145 124.7611 57.4120 32.7686 177.6761 941 N 5.0276 7.4838 115.2898 50.4168 39.4370 172.0938 942 P 4.4800 0.0000 0.0000 63.3143 32.6004 175.8216 943 M 4.6756 8.2008 118.3226 53.7562 34.9942 173.7840 944 D 4.7271 8.1145 123.5740 51.0184 43.9339 176.2854 945 L 3.8532 8.7948 120.5929 57.9464 41.4184 180.1635 946 S 4.5209 8.5287 115.5796 61.0761 62.8704 176.7973 947 T 3.9073 7.9616 119.1923 66.4835 68.2810 176.6793 948 I 3.8474 7.4343 123.1446 63.5884 37.1341 178.2399 949 K 3.9318 8.2499 120.6181 59.5061 31.9229 178.7531 950 K 3.9541 8.2509 119.7766 59.6254 31.4680 179.0464 951 R 3.7535 8.3608 118.8317 59.0373 29.6623 178.7968 952 L 4.3612 8.2441 119.8318 58.1784 42.1987 178.3772 953 Q 4.1797 7.8218 117.7171 56.9501 29.6082 175.8236 954 E 3.8483 8.0335 121.2732 56.6753 29.8608 176.4402 955 D 4.3386 8.8362 126.3002 58.4205 41.6559 177.4553 956 Y 4.7119 7.7023 119.6293 56.1496 37.4760 175.8567 957 S 4.1386 7.8764 115.7146 59.7154 63.7914 175.3402 958 M 3.9337 7.5968 122.0129 55.4648 31.6973 175.3741 959 Y 4.9035 7.4880 118.7640 56.8774 39.5289 176.1423 960 S 4.8652 9.0204 119.0043 58.6510 64.8007 174.1053 961 K 4.6369 7.8953 118.4515 53.7195 35.3329 174.5682 962 P 2.9753 0.0000 0.0000 65.8484 31.0984 178.4429 963 E 3.6534 7.9361 116.2973 59.6741 29.3053 179.3011 964 D 4.3417 8.0822 119.3231 57.2351 40.9679 178.6063 965 F 3.6714 7.1597 114.3260 59.0476 38.0853 177.8012 966 V 4.0356 7.3657 118.9620 65.9041 31.2789 177.7072 967 A 3.9961 8.0163 120.5255 55.4325 18.1120 179.4081 968 D 4.2783 7.6384 116.4426 57.3154 40.5622 179.0328 969 F 3.6595 8.0962 118.3222 60.5652 38.8784 178.0283 970 R 4.1083 8.2814 117.7120 58.9343 29.7205 178.8345 971 L 4.0054 7.8080 120.4903 57.9477 42.0211 179.0230 972 I 3.5426 7.0647 119.5002 64.5048 37.0494 178.4719 973 F 4.3218 6.9324 118.2118 60.5731 38.7119 177.6324 974 Q 4.0707 8.7098 119.7743 59.1235 28.8232 177.9657 975 N 4.3810 8.6216 118.1549 56.2563 38.5501 176.8695 976 C 4.3352 8.3416 119.8810 62.7225 31.5293 175.6043 977 A 4.0767 7.9895 120.8560 55.2044 18.0410 179.1152 978 E 4.1119 8.3334 116.0130 58.4634 29.6479 178.3222 979 F 4.3855 8.0916 119.7199 58.9052 40.5155 175.7398 980 N 4.6481 7.8051 114.5854 51.8497 39.8238 174.9426 981 E 4.0892 8.3646 120.9363 55.4479 30.3004 174.9902 982 P 4.4472 0.0000 0.0000 64.2176 31.8025 176.2315 983 D 4.7933 9.1487 119.4584 55.0067 40.1415 174.4475 984 S 4.4568 7.8401 113.3846 58.2688 65.1455 174.7662 985 E 3.9797 8.7105 122.0725 59.8606 29.2389 179.9880 986 V 3.6821 7.8316 117.3097 65.9202 31.6283 177.6980 987 A 4.1849 8.1287 120.6084 55.4001 17.6974 179.4247 988 N 4.3226 8.4559 114.7884 56.2854 38.5132 177.5765 989 A 4.2537 8.4041 122.5510 54.9882 18.4190 179.8121 990 G 3.4747 8.8266 104.6886 48.1349 0.0000 175.9406 991 I 3.6344 8.0657 122.9563 63.8309 37.0797 178.7646 992 K 3.9501 8.2064 119.3599 59.4221 31.8821 179.2522 993 L 3.9306 8.2454 121.0308 57.8772 41.9877 178.5814 994 E 2.5400 7.8976 119.6036 58.7737 29.4743 178.4934 995 N 4.2542 8.0171 116.5084 56.3974 38.5014 176.7763 996 Y 4.0738 7.9373 120.8360 60.5799 38.8425 177.6007 997 F 3.9814 8.5975 121.9029 61.5740 39.5908 176.9185 998 E 3.5578 8.4793 118.3063 59.3234 29.2816 179.3431 999 E 3.8245 7.8973 118.5260 59.2219 29.4879 179.2483 1000 L 3.5922 7.5319 119.1796 57.6131 41.5642 179.3937 1001 L 3.8471 7.5325 120.3762 57.9815 41.6970 179.1937 1002 K 3.9944 7.4724 117.3517 59.0900 31.9851 178.7460 1003 N 4.4454 7.5666 115.9108 55.7637 38.6498 176.8803 1004 L 4.1862 7.8260 118.7497 55.5155 43.3612 176.7493 1005 Y 4.6217 7.6842 115.2755 55.2883 38.3379 173.5855 1006 P 4.5247 0.0000 0.0000 62.8239 31.3704 176.8326 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 825 N 8.42 4.65 0.00 2.70 2.92 0.00 0.00 7.02 6.77 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 0.00 826 E 8.23 4.20 0.00 2.26 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 2.36 2.36 0.00 827 D 9.01 4.31 0.00 1.82 1.77 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 0.00 828 W 7.36 5.05 0.00 3.24 3.02 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 0.00 0.00 0.00 0.00 829 C 8.82 4.11 0.00 2.97 3.06 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 0.00 830 A 8.13 3.96 1.12 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 0.00 0.00 831 V 7.52 4.15 2.24 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 1.00 0.00 0.00 1.24 0.00 0.00 832 C 7.98 4.36 0.00 3.19 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 0.00 833 Q 8.32 3.86 0.00 2.15 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.73 0.00 0.00 0.00 0.00 0.00 2.31 2.38 0.00 834 N 7.74 5.08 0.00 2.73 2.81 0.00 0.00 7.04 7.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 835 G 8.43 4.46 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 0.00 0.00 0.00 836 G 8.65 3.82 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 0.00 0.00 0.00 837 E 8.79 4.12 0.00 2.10 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 2.27 2.34 0.00 838 L 8.32 5.00 0.00 1.45 1.48 0.83 0.79 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 0.00 839 L 9.38 4.56 0.00 1.47 1.33 0.88 -1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 840 C 8.78 4.97 0.00 3.00 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 0.00 841 C 8.70 5.19 0.00 3.43 3.29 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 0.00 842 E 8.39 4.64 0.00 1.96 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 0.00 2.51 2.45 0.00 843 K 8.05 4.36 0.00 1.71 1.88 0.00 1.59 0.00 0.00 1.75 0.00 0.00 3.15 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.47 7.81 844 C 7.67 4.95 0.00 3.07 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 0.00 845 P 0.00 4.63 0.00 2.26 2.35 0.00 3.74 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.01 0.00 846 K 7.86 4.48 0.00 1.96 1.51 0.00 1.90 0.00 0.00 1.93 0.00 0.00 2.78 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.54 1.56 7.81 847 V 7.79 5.11 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 0.81 0.00 0.00 0.86 0.00 0.00 848 F 9.01 5.16 0.00 2.79 2.89 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 0.00 0.00 0.00 0.00 849 H 8.81 4.80 0.00 3.26 3.18 0.00 5.84 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 850 L 8.41 3.55 0.00 1.47 1.65 -0.68 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 851 S 7.72 4.50 0.00 3.89 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 0.00 852 C 7.78 4.21 0.00 3.25 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 0.00 853 H 7.87 4.05 0.00 2.76 2.95 0.00 5.86 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 854 V 6.94 4.06 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.78 0.00 0.00 855 P 0.00 4.44 0.00 2.25 2.18 0.00 3.54 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 2.12 0.00 856 T 8.12 4.06 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 1.12 0.00 0.00 857 L 8.38 4.75 0.00 1.39 1.51 0.73 -0.09 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 0.00 858 T 8.40 3.92 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 1.19 0.00 0.00 859 N 6.99 4.74 0.00 2.88 2.73 0.00 0.00 7.00 7.33 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 0.00 860 F 8.54 3.99 0.00 3.01 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 0.00 861 P 0.00 4.45 0.00 2.52 2.22 0.00 3.78 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 2.04 1.61 0.00 862 S 8.86 4.31 0.00 3.93 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 0.00 863 G 7.65 4.28 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 864 E 8.51 4.38 0.00 2.24 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 0.00 2.31 2.35 0.00 865 W 9.44 5.32 0.00 3.49 3.11 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 0.00 866 I 7.45 4.53 1.69 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 1.11 0.53 0.83 0.00 0.00 867 C 7.89 3.44 0.00 2.88 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 0.00 868 T 8.10 3.85 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 0.83 0.00 0.00 869 F 7.69 4.40 0.00 3.06 2.96 0.00 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2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.46 7.81 951 R 8.36 3.75 0.00 1.91 1.34 0.00 3.15 0.00 0.00 2.81 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.73 0.00 952 L 8.24 4.36 0.00 1.88 1.93 1.00 0.69 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 0.00 953 Q 7.82 4.18 0.00 2.09 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.48 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 954 E 8.03 3.85 0.00 2.19 1.80 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 2.28 2.37 0.00 955 D 8.84 4.34 0.00 2.74 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 0.00 956 Y 7.70 4.71 0.00 2.82 2.85 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 0.00 957 S 7.88 4.14 0.00 3.94 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 0.00 958 M 7.60 3.93 0.00 1.96 1.85 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.84 0.00 959 Y 7.49 4.90 0.00 3.17 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 0.00 960 S 9.02 4.87 0.00 4.13 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 0.00 961 K 7.90 4.64 0.00 1.86 1.89 0.00 1.61 0.00 0.00 1.80 0.00 0.00 2.84 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.56 1.37 7.81 962 P 0.00 2.98 0.00 1.64 1.44 0.00 3.51 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.38 0.00 963 E 7.94 3.65 0.00 1.90 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 2.31 2.34 0.00 964 D 8.08 4.34 0.00 2.88 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 0.00 965 F 7.16 3.67 0.00 2.70 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 0.00 0.00 0.00 0.00 966 V 7.37 4.04 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 1.23 0.00 0.00 0.79 0.00 0.00 967 A 8.02 4.00 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 0.00 968 D 7.64 4.28 0.00 2.85 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 0.00 0.00 0.00 0.00 969 F 8.10 3.66 0.00 2.98 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 0.00 0.00 0.00 970 R 8.28 4.11 0.00 1.91 2.08 0.00 3.24 0.00 0.00 3.21 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.98 0.00 971 L 7.81 4.01 0.00 1.88 1.81 0.91 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 972 I 7.06 3.54 1.19 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.63 0.50 0.00 0.00 973 F 6.93 4.32 0.00 3.16 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 0.00 974 Q 8.71 4.07 0.00 2.24 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.54 0.00 975 N 8.62 4.38 0.00 3.04 2.98 0.00 0.00 6.61 7.22 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 0.00 976 C 8.34 4.34 0.00 3.31 3.24 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 0.00 977 A 7.99 4.08 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 0.00 978 E 8.33 4.11 0.00 2.07 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 2.36 2.62 0.00 979 F 8.09 4.39 0.00 2.94 3.32 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 0.00 980 N 7.81 4.65 0.00 3.00 2.81 0.00 0.00 7.10 7.18 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 0.00 981 E 8.36 4.09 0.00 1.97 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.22 0.00 982 P 0.00 4.45 0.00 2.03 2.00 0.00 3.75 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 983 D 9.15 4.79 0.00 2.82 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 0.00 984 S 7.84 4.46 0.00 4.13 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 0.00 985 E 8.71 3.98 0.00 2.02 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 0.00 2.42 2.34 0.00 986 V 7.83 3.68 2.19 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 1.18 0.00 0.00 0.92 0.00 0.00 987 A 8.13 4.18 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 0.00 988 N 8.46 4.32 0.00 2.96 2.92 0.00 0.00 6.92 6.81 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 0.00 989 A 8.40 4.25 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 0.00 0.00 0.00 0.00 0.00 0.00 990 G 8.83 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 991 I 8.07 3.63 1.99 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 1.82 0.90 0.88 0.00 0.00 992 K 8.21 3.95 0.00 2.08 1.88 0.00 1.68 0.00 0.00 1.61 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.58 7.81 993 L 8.25 3.93 0.00 1.91 1.67 1.05 0.98 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 0.00 994 E 7.90 2.54 0.00 1.16 1.63 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 2.00 1.76 0.00 995 N 8.02 4.25 0.00 2.90 2.83 0.00 0.00 6.71 7.08 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 0.00 996 Y 7.94 4.07 0.00 3.04 3.11 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 0.00 997 F 8.60 3.98 0.00 3.30 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 0.00 998 E 8.48 3.56 0.00 2.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.47 0.00 999 E 7.90 3.82 0.00 1.96 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 2.45 2.44 0.00 1000 L 7.53 3.59 0.00 1.40 1.37 0.59 -0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 1001 L 7.53 3.85 0.00 1.09 1.46 0.92 0.85 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 1002 K 7.47 3.99 0.00 1.83 1.79 0.00 1.67 0.00 0.00 1.65 0.00 0.00 3.04 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.40 1.63 7.81 1003 N 7.57 4.45 0.00 2.73 2.76 0.00 0.00 7.01 7.54 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 1004 L 7.83 4.19 0.00 1.63 1.36 1.01 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 1005 Y 7.68 4.62 0.00 3.09 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1006 P 0.00 4.52 0.00 2.02 1.95 0.00 3.66 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 1.98 2.16 0.00 * Residues marked with a * may have inaccurate shift predictions.