NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 825 N 4.6372 8.4249 119.2034 52.9681 40.8896 174.4925 826 E 4.3862 7.7973 116.0602 54.4822 31.1728 174.4478 827 D 4.1406 8.7982 121.3964 54.9145 42.3560 176.6540 828 W 4.9847 7.4545 117.3175 54.1174 32.3499 174.6880 829 C 4.0649 9.0991 122.0366 59.6722 31.2545 174.6628 830 A 3.8945 8.1873 130.8990 54.9502 17.7555 178.1730 831 V 4.1035 7.4454 114.9727 65.0137 31.9679 176.3626 832 C 4.3453 7.9616 112.8693 58.1154 30.3866 174.3411 833 Q 4.1317 8.3861 118.4549 56.8610 26.6012 172.5437 834 N 5.1274 7.6514 118.0619 51.9870 41.6161 172.0845 835 G 4.1874 9.0641 108.9736 43.7457 0.0000 169.9610 836 G 3.7896 8.7219 104.5429 44.0098 0.0000 172.6311 837 E 4.0125 8.8185 120.7415 56.8554 29.3929 176.0417 838 L 4.8878 8.2699 123.7972 52.6156 44.7809 175.9093 839 L 4.3956 9.0519 126.2294 54.4191 43.2221 175.1474 840 C 4.9915 8.6059 124.1785 59.0567 29.5649 173.2931 841 C 5.1180 8.9970 123.9541 59.3574 32.3485 172.7653 842 E 4.7666 8.5143 114.2608 55.7349 30.7566 176.9224 843 K 4.5963 8.0064 116.4561 55.9062 33.3838 174.8342 844 C 4.7579 7.4855 112.2201 56.7026 32.1460 172.3283 845 P 4.4434 0.0000 0.0000 64.4933 31.5280 177.0217 846 K 4.2567 8.1240 118.1045 56.9767 33.1916 176.2432 847 V 5.0959 7.8488 114.9071 59.9337 35.9632 174.5097 848 F 5.1280 8.9760 120.2942 56.4633 44.0442 173.8705 849 H 4.7034 8.9297 118.2202 55.1324 29.9608 176.4850 850 L 3.6428 8.4234 120.5836 58.0108 41.5374 179.6163 851 S 4.2826 7.8008 111.8953 59.9146 63.3046 174.7482 852 C 4.1679 7.6071 117.2247 61.5764 28.4779 173.8927 853 H 4.0827 7.9154 117.8862 55.7221 30.0274 174.3011 854 V 4.0885 6.9354 122.2837 59.9808 33.3159 173.7125 855 P 4.4693 0.0000 0.0000 62.2362 32.1523 176.1009 856 T 4.1325 8.0968 115.9367 63.5529 68.9308 174.0718 857 L 4.5281 8.0945 126.1471 53.3523 42.9799 177.2912 858 T 4.0476 8.3891 113.6123 63.8648 69.3292 173.9716 859 N 5.0319 7.4387 116.8058 51.0986 42.8771 173.6773 860 F 3.9735 8.6064 118.6307 56.3594 39.6482 174.0148 861 P 4.4768 0.0000 0.0000 62.9268 31.6658 176.7936 862 S 4.3843 8.8463 118.0253 59.7386 63.4637 173.5656 863 G 4.4188 7.5384 108.8337 43.4979 0.0000 171.7768 864 E 4.2510 8.7407 119.8724 56.5703 30.0238 177.4052 865 W 5.2960 9.4072 134.6205 55.8124 34.4551 173.4908 866 I 4.5897 7.4421 119.9286 58.5897 39.9230 175.0998 867 C 3.4889 7.9652 119.4036 57.5979 30.3383 174.5006 868 T 3.7963 8.2162 116.6226 66.7663 67.7699 176.4979 869 F 4.4273 7.6419 118.6770 60.4556 39.1220 176.6801 870 C 4.4150 7.9727 114.4453 60.3400 28.7574 174.4494 871 R 3.9593 7.5111 121.2895 55.7842 29.8231 175.6580 872 D 4.4090 9.0653 125.2689 54.5755 41.7935 177.2895 873 L 4.0387 8.4608 126.0812 57.9192 42.1929 178.8678 874 S 4.2821 8.2106 113.5284 60.9531 63.0287 175.1634 875 K 4.4618 8.5843 121.2053 52.6538 32.3175 173.0384 876 P 4.3552 0.0000 0.0000 62.0906 31.6613 177.5241 877 E 4.0275 8.7205 121.7998 58.4187 29.7206 177.1256 878 V 4.4490 7.2179 109.3811 59.1519 35.4247 173.9760 879 E 4.4422 8.3061 121.1844 54.4839 31.7947 174.5275 880 Y 5.1909 8.0476 123.2026 57.1311 39.0513 175.9189 881 D 4.4786 9.2599 124.4432 57.9237 40.9826 178.9148 882 C 4.3468 8.2153 110.7997 60.0251 29.6211 173.5202 883 D 4.8528 8.4944 118.9662 53.7961 41.5258 176.2245 884 A 4.9023 7.7530 121.9680 51.0118 18.5187 174.6698 885 P 4.2194 0.0000 0.0000 64.4675 32.4912 176.3020 *888 N 4.5772 7.8223 116.8062 52.5223 39.9718 174.4273 889 S 4.6733 7.6174 113.2032 56.3867 66.8653 173.9137 890 E 4.4524 8.8039 123.1730 54.8129 30.6747 175.5364 891 K 4.6992 8.1368 124.8969 54.7244 35.2921 174.9385 892 K 4.0151 8.3934 119.7709 56.5865 32.5520 178.0728 893 K 4.1555 8.4486 125.7953 55.5985 30.7957 176.0181 894 T 3.7995 8.3989 120.0507 64.0759 68.5543 174.2395 895 E 4.2949 8.8138 125.9771 56.3891 30.6103 176.4386 896 G 4.4749 8.7060 107.4051 46.1708 0.0000 172.9429 897 L 4.6252 7.4952 119.4028 52.7528 44.8011 175.4128 898 V 4.3224 8.5516 125.6301 61.1806 32.6174 174.4835 899 K 4.8966 8.3076 125.4777 53.9302 35.8787 176.0435 900 L 4.3339 8.1440 121.3733 55.5275 42.3262 177.8101 901 T 4.1338 8.6218 112.4186 61.0618 69.8971 173.5293 902 P 4.3110 0.0000 0.0000 65.8714 31.2964 179.0060 903 I 3.7020 7.7661 118.1210 64.7054 37.1227 178.0823 904 D 4.6281 8.2377 119.3934 56.9655 40.6090 178.7931 905 K 3.9953 8.1577 120.5863 59.5959 32.2468 179.1702 906 R 4.2235 8.1615 119.8004 58.6255 29.8711 179.2113 907 K 4.0429 8.2153 118.5314 59.5051 31.9335 178.9911 908 C 3.8684 8.0694 119.1178 62.2607 30.7939 175.4722 909 E 3.9627 8.2486 120.4536 59.2268 28.9000 179.3360 910 R 3.7437 8.0891 118.8516 59.1674 30.1911 178.4335 911 L 4.2291 8.2389 118.9693 57.9698 41.6679 179.4690 912 L 4.3342 8.4522 119.1001 57.9863 41.6806 179.3939 913 L 4.1253 8.3171 120.4790 58.1433 41.6866 178.9131 914 F 4.7911 8.5293 117.0680 60.9308 39.2912 177.3550 915 L 4.5782 8.5303 118.5031 58.2986 41.3621 179.0632 916 Y 4.2605 8.8059 117.1054 61.4114 37.6537 178.1693 917 C 4.5986 8.5522 115.2342 60.3371 29.1255 173.5374 918 H 4.3409 8.1887 122.6245 55.2949 30.1350 175.6012 919 E 3.9747 8.7039 124.7571 59.8332 29.2087 177.6124 920 M 4.5716 8.2841 116.3507 55.2773 32.2384 176.7500 921 S 4.8060 8.3422 115.7125 59.3064 64.5514 176.0453 922 L 3.8148 8.3458 123.5000 58.2867 41.6215 178.8451 923 A 3.8066 7.7743 118.6305 54.0492 18.3831 177.7448 924 F 4.8270 8.1812 113.4391 57.2866 40.1888 177.5671 925 Q 3.7894 8.3140 122.0096 58.3133 28.6618 175.8680 926 D 5.5722 7.4643 113.7467 50.2893 44.0837 173.9129 927 P 4.3386 0.0000 0.0000 62.5397 31.8195 176.9366 928 V 3.4403 7.9983 121.4265 61.9902 32.1468 174.3323 929 P 4.4823 0.0000 0.0000 62.6281 31.7456 177.0484 930 L 4.3119 8.3408 118.8742 56.6860 41.5920 177.8609 931 T 4.3139 7.7475 108.1688 61.9851 69.7735 175.1766 932 V 4.5654 7.6359 120.7749 60.9570 31.4491 174.1681 933 P 4.5076 0.0000 0.0000 65.8369 32.0743 179.0766 934 D 4.4771 8.3564 118.8266 56.2414 38.9694 177.7976 935 Y 3.2529 7.8699 120.7655 60.7021 38.5532 177.4563 936 Y 4.1984 7.6355 114.0933 59.2741 38.0895 177.2243 937 K 4.3013 7.7315 119.0452 58.3061 32.9000 178.4234 938 I 4.1555 7.8968 119.5566 62.8818 37.4986 176.5388 939 I 3.8709 7.4059 122.7684 60.2636 36.5469 176.3265 940 K 4.2043 8.4712 125.9376 58.5366 32.4056 177.5680 941 N 4.9736 7.5708 115.1265 50.0427 39.1937 171.9363 942 P 4.4995 0.0000 0.0000 63.1412 32.4262 176.4089 943 M 4.7320 8.1633 117.7626 53.7179 35.0588 173.6684 944 D 4.7223 8.1215 123.0681 50.9788 43.8805 176.3336 945 L 3.8600 8.7379 120.4365 57.9675 41.4049 180.1686 946 S 4.5437 8.6149 115.7973 61.1598 62.7514 176.8078 947 T 3.8856 7.9732 119.1118 66.5144 68.2281 176.6387 948 I 3.7450 7.4920 121.6555 64.0985 37.0255 178.2378 949 K 3.9183 8.3268 120.7540 59.5039 32.0361 178.7350 950 K 3.9434 8.2863 119.8322 59.6742 31.4140 179.0448 951 R 3.8008 8.3133 118.7454 58.9967 29.6408 178.8569 952 L 4.2496 8.1327 119.8459 58.2325 42.2239 178.4337 953 Q 4.1539 7.8137 117.9089 57.1985 29.7207 175.9193 954 E 3.8627 7.8402 120.8951 56.6572 29.9000 176.4599 955 D 4.3597 8.8550 126.4171 58.2880 41.6119 177.4340 956 Y 4.7481 7.7050 119.6680 56.0667 37.8936 175.7633 957 S 4.1308 7.7230 114.7397 59.4294 63.6776 175.0502 958 M 3.9413 7.3876 115.9022 55.4576 31.2590 175.3993 959 Y 4.8410 7.4392 119.0590 57.1001 39.2376 175.9868 960 S 4.7430 9.2337 119.1948 58.3990 64.8628 173.9404 961 K 4.6113 7.8502 118.6571 53.8352 35.2435 174.5467 962 P 2.9700 0.0000 0.0000 65.7138 31.0304 178.5045 963 E 3.6515 7.8969 116.3610 59.5456 29.1281 179.2832 964 D 4.3199 7.9738 119.2558 57.3228 40.9897 178.6859 965 F 3.7526 7.1859 114.3652 59.1849 37.9985 177.7019 966 V 4.0452 7.4694 119.0765 65.8467 31.2854 177.7297 967 A 3.9996 7.9581 120.5854 55.4383 18.0270 179.3732 968 D 4.2914 7.5240 114.6520 57.3410 41.1207 178.8289 969 F 3.8370 8.0744 118.2851 60.5924 38.8447 178.0449 970 R 4.1648 8.2730 117.6278 58.9706 29.6877 178.8877 971 L 3.9703 7.8579 120.4768 57.8656 41.9827 179.0946 972 I 3.5404 7.2122 119.8434 64.4364 37.0080 178.4864 973 F 4.3052 7.1704 118.0039 60.4778 38.7890 177.4635 974 Q 4.0547 8.6124 119.8540 59.1601 28.8702 177.8949 975 N 4.3832 8.5529 118.0384 56.3224 38.5749 176.9397 976 C 4.3960 8.2704 119.9737 62.6318 31.5091 175.5813 977 A 4.1243 7.9360 121.2487 55.1302 18.0228 179.1842 978 E 4.0859 8.2669 116.5695 59.0866 29.6152 178.6681 979 F 4.3065 8.1989 119.5933 59.4520 40.2456 175.7714 980 N 4.6171 7.7738 114.6808 51.8794 39.7318 174.9910 981 E 4.0736 8.3846 121.1756 55.5181 30.2888 175.0147 982 P 4.3730 0.0000 0.0000 64.1850 31.8489 175.8347 983 D 4.5743 8.8257 119.1975 55.0657 40.0612 174.3394 984 S 4.4743 7.7535 113.0746 57.7802 65.2109 174.6796 985 E 3.9645 8.7493 122.2833 59.9164 29.1983 180.0474 986 V 3.6379 7.8187 117.1388 65.9484 31.7584 177.5724 987 A 4.1584 8.1093 120.5884 55.5624 18.2145 179.4433 988 N 4.4061 8.5481 114.5886 56.0210 38.4720 177.6970 989 A 4.2085 8.1775 122.7396 55.1651 18.5597 179.8086 990 G 3.4552 8.8638 104.7626 48.0114 0.0000 175.9799 991 I 3.6601 7.9139 122.1432 63.9633 37.1479 178.6864 992 K 3.9309 8.1678 119.3519 59.4415 31.9236 179.2248 993 L 3.9408 8.2367 120.9710 57.9101 41.9345 178.5605 994 E 2.5400 8.0360 119.6297 58.7459 29.5702 178.4605 995 N 4.2160 8.0328 116.5343 56.4880 38.6022 176.7328 996 Y 4.1321 8.0069 120.7926 60.5421 38.7971 177.7798 997 F 3.9702 8.6299 121.8183 61.4875 39.5536 176.9015 998 E 3.5726 8.3849 118.4170 59.3038 29.3010 179.3637 999 E 3.8109 7.8362 118.2427 59.2474 29.5396 179.2442 1000 L 3.5943 7.4024 118.9644 57.5984 41.5497 179.4009 1001 L 3.8511 7.5079 120.3813 58.0412 41.7215 179.2171 1002 K 3.9406 7.6844 117.4769 59.2262 31.9945 178.5703 1003 N 4.4904 7.6712 115.2582 54.9752 38.7418 176.6224 1004 L 4.3194 7.6482 118.6391 55.0065 43.5758 176.5008 1005 Y 4.6381 7.7870 115.7718 55.6265 38.5515 173.4185 1006 P 4.4869 0.0000 0.0000 62.9135 31.5871 177.2308 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 4.64 0.00 2.72 3.05 0.00 0.00 6.95 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 7.80 4.39 0.00 2.13 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 2.28 2.37 0.00 827 D 8.80 4.14 0.00 1.58 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 0.00 828 W 7.45 4.98 0.00 3.42 2.98 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 0.00 829 C 9.10 4.06 0.00 3.02 2.98 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 0.00 830 A 8.19 3.89 0.98 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 0.00 0.00 831 V 7.45 4.10 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 1.06 0.00 0.00 1.26 0.00 0.00 832 C 7.96 4.35 0.00 3.17 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 0.00 833 Q 8.39 4.13 0.00 2.20 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.68 0.00 0.00 0.00 0.00 0.00 2.32 2.39 0.00 834 N 7.65 5.13 0.00 2.58 2.79 0.00 0.00 6.91 7.79 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 0.00 835 G 9.06 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 0.00 0.00 0.00 0.00 836 G 8.72 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 0.00 837 E 8.82 4.01 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 2.31 2.32 0.00 838 L 8.27 4.89 0.00 1.43 1.48 0.87 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 839 L 9.05 4.40 0.00 1.41 1.33 0.66 -0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 840 C 8.61 4.99 0.00 2.98 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 0.00 841 C 9.00 5.12 0.00 3.46 3.27 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 0.00 842 E 8.51 4.77 0.00 2.07 1.97 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 2.34 2.48 0.00 843 K 8.01 4.60 0.00 1.71 1.80 0.00 1.81 0.00 0.00 1.78 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.32 1.31 7.81 844 C 7.49 4.76 0.00 3.11 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 0.00 845 P 0.00 4.44 0.00 2.23 2.27 0.00 3.66 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 2.14 2.13 0.00 846 K 8.12 4.26 0.00 2.04 1.47 0.00 1.72 0.00 0.00 1.84 0.00 0.00 2.79 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.66 1.76 7.81 847 V 7.85 5.10 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 0.79 0.00 0.00 0.89 0.00 0.00 848 F 8.98 5.13 0.00 2.78 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 0.00 849 H 8.93 4.70 0.00 3.14 3.20 0.00 5.83 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 850 L 8.42 3.64 0.00 1.47 1.63 -0.35 0.22 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 0.00 851 S 7.80 4.28 0.00 3.80 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 0.00 852 C 7.61 4.17 0.00 3.12 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 0.00 853 H 7.92 4.08 0.00 2.80 2.99 0.00 5.86 0.00 0.00 0.00 0.00 6.88 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 4.09 1.85 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 0.89 0.00 0.00 0.77 0.00 0.00 855 P 0.00 4.47 0.00 2.23 2.21 0.00 3.76 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.20 0.00 856 T 8.10 4.13 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 1.19 0.00 0.00 857 L 8.09 4.53 0.00 1.29 1.49 0.33 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 858 T 8.39 4.05 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 1.19 0.00 0.00 859 N 7.44 5.03 0.00 2.67 2.74 0.00 0.00 6.95 7.45 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 0.00 860 F 8.61 3.97 0.00 2.96 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 0.00 861 P 0.00 4.48 0.00 2.37 2.22 0.00 3.64 0.00 0.00 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.50 0.00 862 S 8.85 4.38 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 7.54 4.42 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 0.00 864 E 8.74 4.25 0.00 2.05 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 2.33 2.73 0.00 865 W 9.41 5.30 0.00 3.46 3.04 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 0.00 866 I 7.44 4.59 1.69 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.55 0.86 0.00 0.00 867 C 7.97 3.49 0.00 2.83 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 0.00 868 T 8.22 3.80 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 0.92 0.00 0.00 869 F 7.64 4.43 0.00 3.06 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 0.00 870 C 7.97 4.41 0.00 2.91 2.98 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 0.00 871 R 7.51 3.96 0.00 1.74 1.71 0.00 2.98 0.00 0.00 2.53 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.44 0.00 872 D 9.07 4.41 0.00 2.74 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 0.00 873 L 8.46 4.04 0.00 1.64 1.68 0.89 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 874 S 8.21 4.28 0.00 3.98 3.89 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 0.00 875 K 8.58 4.46 0.00 1.58 1.66 0.00 1.59 0.00 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1.45 1.41 7.81 894 T 8.40 3.80 4.26 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 1.21 0.00 0.00 895 E 8.81 4.29 0.00 2.03 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 2.38 2.42 0.00 896 G 8.71 4.47 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 0.00 897 L 7.50 4.63 0.00 1.53 1.53 1.09 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 898 V 8.55 4.32 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 0.97 0.00 0.00 0.96 0.00 0.00 899 K 8.31 4.90 0.00 1.70 1.74 0.00 1.91 0.00 0.00 1.77 0.00 0.00 3.07 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.52 7.81 900 L 8.14 4.33 0.00 1.70 1.78 1.24 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 901 T 8.62 4.13 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 1.27 0.00 0.00 902 P 0.00 4.31 0.00 2.19 2.16 0.00 3.63 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.21 0.00 903 I 7.77 3.70 1.91 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 1.83 0.69 0.91 0.00 0.00 904 D 8.24 4.63 0.00 2.94 3.13 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.16 4.00 0.00 1.92 2.03 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.15 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.47 1.52 7.81 906 R 8.16 4.22 0.00 2.06 1.94 0.00 3.11 0.00 0.00 3.16 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 907 K 8.22 4.04 0.00 2.11 1.95 0.00 1.35 0.00 0.00 0.77 0.00 0.00 2.62 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.35 1.55 7.81 908 C 8.07 3.87 0.00 1.72 2.65 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 0.00 909 E 8.25 3.96 0.00 2.16 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 2.32 2.52 0.00 910 R 8.09 3.74 0.00 1.98 2.17 0.00 3.26 0.00 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0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.62 0.00 944 D 8.12 4.72 0.00 3.01 2.70 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 0.00 945 L 8.74 3.86 0.00 1.37 1.21 0.55 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 946 S 8.61 4.54 0.00 4.10 4.37 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 0.00 947 T 7.97 3.89 4.35 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 1.19 0.00 0.00 948 I 7.49 3.75 1.74 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.63 0.59 0.00 0.00 949 K 8.33 3.92 0.00 2.08 2.03 0.00 1.60 0.00 0.00 1.57 0.00 0.00 2.81 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.48 7.81 950 K 8.29 3.94 0.00 1.95 1.93 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.41 1.47 7.81 951 R 8.31 3.80 0.00 1.92 1.36 0.00 3.14 0.00 0.00 2.81 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.74 0.00 952 L 8.13 4.25 0.00 1.90 1.93 0.99 0.98 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 7.81 4.15 0.00 2.08 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.48 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 954 E 7.84 3.86 0.00 2.22 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 2.29 2.37 0.00 955 D 8.86 4.36 0.00 2.74 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 956 Y 7.70 4.75 0.00 2.83 2.87 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 0.00 0.00 0.00 957 S 7.72 4.13 0.00 4.06 4.08 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 0.00 0.00 0.00 958 M 7.39 3.94 0.00 1.82 1.92 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.89 0.00 959 Y 7.44 4.84 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 9.23 4.74 0.00 4.09 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 7.85 4.61 0.00 1.86 1.90 0.00 1.59 0.00 0.00 1.80 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.57 1.51 7.81 962 P 0.00 2.97 0.00 1.62 1.39 0.00 3.50 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 2.11 2.39 0.00 963 E 7.90 3.65 0.00 1.90 1.90 0.00 0.00 0.00 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 2.33 0.00 964 D 7.97 4.32 0.00 2.91 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 0.00 965 F 7.19 3.75 0.00 2.71 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 966 V 7.47 4.05 2.06 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 1.21 0.00 0.00 0.80 0.00 0.00 967 A 7.96 4.00 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 0.00 968 D 7.52 4.29 0.00 2.76 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 0.00 969 F 8.07 3.84 0.00 3.00 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 0.00 0.00 0.00 970 R 8.27 4.16 0.00 2.03 2.08 0.00 3.24 0.00 0.00 3.21 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.01 0.00 971 L 7.86 3.97 0.00 1.86 1.81 0.95 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 972 I 7.21 3.54 1.15 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 1.41 0.39 0.54 0.00 0.00 973 F 7.17 4.31 0.00 3.05 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 8.61 4.05 0.00 2.26 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.46 0.00 975 N 8.55 4.38 0.00 3.04 2.97 0.00 0.00 6.63 8.00 0.00 0.00 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 8.27 4.40 0.00 3.32 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 7.94 4.12 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 0.00 978 E 8.27 4.09 0.00 2.00 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 2.39 2.59 0.00 979 F 8.20 4.31 0.00 2.93 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 7.77 4.62 0.00 3.02 2.80 0.00 0.00 7.10 6.99 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 0.00 981 E 8.38 4.07 0.00 1.96 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 2.29 2.22 0.00 982 P 0.00 4.37 0.00 2.03 2.00 0.00 3.80 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 8.83 4.57 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 0.00 984 S 7.75 4.47 0.00 4.14 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 0.00 985 E 8.75 3.96 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 7.82 3.64 2.29 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 1.21 0.00 0.00 0.92 0.00 0.00 987 A 8.11 4.16 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 0.00 0.00 0.00 0.00 0.00 988 N 8.55 4.41 0.00 2.94 2.92 0.00 0.00 6.93 6.67 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 0.00 989 A 8.18 4.21 1.68 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 0.00 0.00 990 G 8.86 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 0.00 0.00 0.00 991 I 7.91 3.66 2.00 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 1.51 0.75 0.89 0.00 0.00 992 K 8.17 3.93 0.00 1.96 1.88 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.61 1.63 7.81 993 L 8.24 3.94 0.00 1.92 1.69 1.02 0.95 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 8.04 2.54 0.00 1.16 1.61 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 1.95 1.60 0.00 995 N 8.03 4.22 0.00 2.90 2.83 0.00 0.00 6.72 7.01 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 0.00 996 Y 8.01 4.13 0.00 3.06 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 0.00 997 F 8.63 3.97 0.00 3.28 3.09 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 0.00 998 E 8.38 3.57 0.00 1.88 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 2.52 2.47 0.00 999 E 7.84 3.81 0.00 1.99 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 2.44 2.45 0.00 1000 L 7.40 3.59 0.00 1.41 1.36 0.47 -0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 1001 L 7.51 3.85 0.00 1.07 1.45 0.88 0.82 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 7.68 3.94 0.00 1.84 1.79 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.56 7.81 1003 N 7.67 4.49 0.00 2.70 2.77 0.00 0.00 6.99 7.13 0.00 0.00 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 7.65 4.32 0.00 1.69 1.47 1.04 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 1005 Y 7.79 4.64 0.00 3.04 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 1006 P 0.00 4.49 0.00 2.16 2.00 0.00 3.72 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 1.96 1.91 0.00 * Residues marked with a * may have inaccurate shift predictions.