NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 879 H 4.8650 8.4293 116.3651 55.6099 30.0691 172.7266 880 Q 4.4992 8.5327 122.1848 53.0748 31.6903 172.4155 881 S 4.9489 9.1585 114.7584 56.9470 65.3412 175.0660 882 Y 4.4922 9.3477 122.6057 57.4595 39.4970 175.4240 883 D 4.6347 8.8560 118.0263 55.0253 43.6519 176.5970 884 C 4.5405 8.1742 117.6844 58.0301 33.2817 172.5104 885 V 4.3941 9.0053 125.8821 60.8105 34.6485 173.6188 886 C 4.5757 8.9633 128.8000 58.4178 32.5711 172.0996 887 V 4.4307 8.7215 127.7775 61.6369 33.2443 174.3232 888 M 5.3616 8.4775 126.1573 53.8443 36.2263 173.8578 889 F 5.1265 8.9741 121.3680 55.8261 43.2395 173.7257 890 A 5.1039 9.3096 125.8513 50.1695 20.7711 175.3203 891 S 4.9530 8.9381 116.3694 57.9836 66.4648 173.9003 892 I 4.9265 7.8430 120.4498 58.3558 37.3676 174.7843 893 P 4.4637 0.0000 0.0000 64.8168 31.5952 177.9892 894 D 4.7138 8.2128 118.3715 55.9794 41.7794 178.2420 895 F 4.5166 8.8359 122.0602 61.3051 39.2159 176.6897 896 K 4.0377 8.5291 117.7598 59.8933 31.8209 177.7821 897 E 4.1819 8.2162 116.3868 59.1863 29.9028 178.2540 898 F 4.2110 7.6719 119.4973 60.0429 39.7962 175.2314 899 Y 3.8897 7.5986 119.6141 57.8242 39.0429 175.3059 900 T 4.0404 7.1078 120.0887 61.2418 70.3841 174.0182 901 E 4.0654 8.1276 131.0208 54.9250 28.2440 175.6523 902 S 4.5848 7.4190 117.5152 56.3158 65.5422 175.8487 903 D 4.3128 8.3791 120.1210 57.1159 41.3827 177.6331 904 V 3.7454 7.7956 119.0731 65.5185 31.8910 176.2349 905 N 4.6993 7.9641 116.3277 53.0183 37.4450 175.8723 906 K 3.9301 8.3009 115.2012 58.1319 31.0440 175.5593 907 E 3.5197 8.4974 115.2740 57.2118 26.1643 176.1626 908 G 3.9143 9.7620 108.5654 45.8655 0.0000 174.8196 909 L 4.0649 7.3199 119.6853 58.2712 42.2658 178.3746 910 E 4.1925 8.4920 118.7538 59.3846 29.3856 179.0272 911 C 4.4040 8.1168 116.3688 63.0956 28.2686 175.9309 912 L 4.2655 8.0973 120.0436 57.9407 41.2273 179.6255 913 R 3.9183 7.9402 118.4150 59.3421 29.8290 178.3669 914 L 4.0818 8.2077 120.2949 57.9149 42.0330 178.6730 915 L 3.6214 7.9494 120.0575 57.7472 42.0147 178.2724 916 N 4.2383 8.3220 117.5243 56.6281 38.8182 176.6255 917 E 4.0001 8.0670 118.8495 58.3985 29.4803 179.2461 918 I 3.3137 6.9626 120.4984 63.8134 37.1710 177.9718 919 I 3.4611 7.3887 119.1882 64.2814 37.2097 177.8679 920 A 4.3378 7.7527 122.6522 54.8876 17.7425 179.2953 921 D 4.4824 7.4437 118.4398 56.9386 40.8926 179.0817 922 F 4.1315 7.8153 117.4640 59.7599 38.4605 177.3750 923 D 4.6856 8.3579 119.1323 56.7808 40.6259 177.8286 924 D 4.6329 7.7358 118.2964 56.1213 40.7107 178.1011 925 L 4.4343 7.6650 119.5638 57.0578 41.6877 178.8615 926 L 4.1525 8.0052 118.2496 57.5929 41.6899 177.6495 927 S 4.7261 8.0650 113.1206 58.3216 63.3018 173.1987 928 K 4.6239 7.9724 122.0120 53.9525 34.0563 174.6510 929 P 4.1936 0.0000 0.0000 65.8004 31.3493 178.4843 930 K 3.9453 7.8258 115.0157 58.7890 32.6772 177.3124 931 F 5.1315 8.1988 119.0049 57.2820 39.3858 177.1760 932 S 4.2620 8.1687 117.0245 60.2866 62.7449 175.0850 933 G 3.8135 7.8864 108.5364 45.6636 0.0000 173.6633 934 V 3.6265 7.5405 120.9824 61.9296 32.0900 174.7627 935 E 4.4818 8.2708 127.0899 54.0336 31.5215 175.3982 936 K 3.9614 8.4958 127.0894 56.9790 32.2744 176.4019 937 I 4.0513 8.4263 129.6730 63.0317 38.1095 175.6882 938 K 4.1570 6.8339 117.9169 56.8661 35.6800 173.4375 939 T 4.5190 8.3019 115.9138 61.9343 71.2629 174.7652 940 I 3.9785 8.5862 129.1348 60.7325 38.1584 179.3177 941 G 3.9722 9.1847 119.0150 46.5398 0.0000 173.0387 942 S 4.6238 9.1877 114.3495 58.0890 65.3581 174.1909 943 T 4.9784 8.6060 117.6655 62.6016 71.0213 172.6717 944 Y 4.8600 8.7521 126.9235 56.3163 41.1944 173.8796 945 M 4.6822 7.9052 124.7505 53.5124 35.4806 173.8610 946 A 4.8381 8.3163 126.4527 50.1249 23.2973 174.1352 947 A 4.9197 8.4923 124.0159 50.3855 21.7853 175.7589 948 T 4.1592 10.4816 120.4455 64.3507 70.4835 173.6554 949 G 3.6814 8.4771 121.1371 45.2904 0.0000 172.8278 950 L 3.6656 7.5852 121.6155 54.8103 42.0682 177.9846 951 S 3.7816 8.1610 110.5908 57.6284 60.9012 170.3066 952 A 4.1226 7.8647 120.2355 52.7343 21.8636 175.3745 953 I 2.9885 8.0413 114.9807 62.8419 37.3872 173.9418 *964 R 4.1151 7.4629 118.3646 56.7993 30.9141 175.3714 965 Q 4.2043 8.4867 120.2413 58.0915 29.2901 176.0833 966 Y 5.1777 7.7430 115.1815 58.4796 38.8742 177.2003 967 M 4.2018 8.2533 122.0352 58.2786 32.5662 176.7642 968 H 4.4123 8.4593 114.5402 57.7327 28.5143 177.5134 969 I 3.6122 7.3115 123.4159 64.4329 36.8359 178.4177 970 G 3.5214 7.9016 104.5432 47.7916 0.0000 175.4790 971 T 4.1247 7.8366 117.7365 66.8433 68.5697 176.1262 972 M 3.9927 7.8544 119.7640 58.9456 32.1154 178.4287 973 V 3.3897 7.4817 118.0124 65.9495 31.6242 177.8906 974 E 4.1924 8.2782 118.2031 59.0468 29.2058 178.9822 975 F 3.6015 8.1785 120.4582 60.4726 39.4517 177.0381 976 A 3.7324 7.7507 120.5002 55.4190 18.1651 179.1659 977 Y 4.3537 7.7974 114.9726 61.1907 37.7821 178.7207 978 A 4.0027 7.9666 121.6708 55.2655 18.3649 179.6846 979 L 3.2040 7.3315 117.3618 57.4528 41.4709 179.7729 980 V 3.6197 7.5167 118.2778 66.1964 31.6668 178.2256 981 G 3.7287 8.3171 105.4521 47.6447 0.0000 175.2031 982 K 4.2799 7.7137 119.9983 58.2790 32.6045 178.9285 983 L 4.0086 8.3516 121.3683 58.2210 42.0620 178.7498 984 D 4.3853 8.4103 118.7978 57.0338 40.5788 178.5491 985 A 3.8959 7.5052 120.2926 55.1196 18.4027 179.5800 986 I 3.5223 7.5719 118.1825 64.6801 37.1221 178.1437 987 N 4.2648 7.9937 116.8848 56.2832 38.1759 176.9446 988 K 3.5483 7.4667 119.8782 59.4585 32.1514 176.7596 989 H 4.4743 7.4142 111.6429 55.6216 29.5031 175.2248 990 S 4.4506 7.7395 113.4412 57.9428 63.0364 174.8710 991 F 3.9170 8.6286 117.7378 57.5925 36.6677 174.3159 992 N 4.7564 7.6476 118.7407 52.0984 40.3591 173.8937 993 D 4.7723 7.6007 116.4137 52.5803 39.5926 175.8024 994 F 4.2961 8.4815 118.4126 59.3831 39.3262 175.1199 995 K 4.6438 8.6144 125.3401 54.4281 34.2110 175.6678 996 L 4.6735 8.2347 124.6105 54.1768 44.4406 175.1427 997 R 4.7429 8.6693 124.7966 54.7041 32.7720 174.0244 998 V 4.9687 8.4392 127.1375 61.0292 34.7164 174.6325 999 G 4.4283 9.1871 114.1174 43.6525 0.0000 171.3327 1000 I 5.0519 8.1142 127.3075 59.6525 39.9231 174.6698 1001 N 5.0702 8.8968 122.8581 52.9755 42.8063 172.5301 1002 H 5.8529 8.9295 117.0382 52.3457 32.3712 173.4971 1003 G 3.8692 8.0608 105.5008 44.1970 0.0000 169.3675 1004 P 4.8954 0.0000 0.0000 63.0059 31.9673 176.3037 1005 V 4.7022 8.3624 114.9181 59.9739 36.9593 174.6208 1006 I 4.8993 9.1525 123.9525 59.6060 38.2466 175.1416 1007 A 4.1744 8.6607 127.7093 50.9532 19.4995 177.6236 1008 G 4.1707 6.3163 106.4606 45.9751 0.0000 171.5164 1009 V 4.9591 8.2004 117.8370 61.2472 34.6145 175.0596 1010 I 4.5627 9.0195 124.5827 60.2041 41.4782 175.0695 1011 G 3.8912 8.9878 112.9715 46.1251 0.0000 174.1448 1012 A 3.8937 8.5284 128.4204 55.0288 17.9681 178.2388 1013 Q 3.7115 7.4410 111.5442 58.5670 29.2334 177.8004 1014 K 4.3937 7.4506 127.0433 52.9700 32.4458 172.5258 1015 P 4.7595 0.0000 0.0000 62.2387 31.9850 175.2141 1016 Q 4.7230 8.8858 122.3748 54.0751 32.8826 173.9454 1017 Y 4.9030 8.6635 124.2261 57.5248 39.6764 173.8609 1018 D 4.1544 8.8816 125.6265 52.9376 45.1578 173.7573 1019 I 4.2298 7.2834 116.3522 58.9637 40.0531 174.3504 1020 W 5.0251 9.0563 122.5588 55.1019 33.4900 173.6345 1021 G 4.5313 9.2203 105.7811 43.4053 0.0000 174.6271 1022 N 4.3451 8.8707 118.8465 56.6480 38.8800 177.0519 1023 T 3.8643 8.0004 116.8903 66.9791 68.4838 176.4928 1024 V 3.7475 7.4580 112.8213 64.2852 31.5276 178.0530 1025 N 4.1774 8.1453 116.2906 56.8265 38.6263 176.7605 1026 V 3.5514 7.5942 117.7427 65.8636 31.8600 177.4012 1027 A 4.1417 7.8248 119.9002 55.2929 18.2147 179.2036 1028 S 3.0214 7.8538 111.4549 61.5880 62.4936 176.7068 1029 R 3.4583 8.1026 121.9467 58.4368 29.6866 177.8693 1030 M 4.4686 7.8872 116.8308 55.4119 31.7996 176.7052 1031 D 4.7585 8.4979 120.7422 55.6285 43.2113 177.6412 1032 S 4.3744 7.8979 112.4001 60.3261 63.4141 174.5612 1033 T 4.5805 7.4259 117.2838 63.3622 69.5338 174.0356 1034 G 4.4516 7.9750 113.0276 44.5082 0.0000 173.4478 1035 V 4.4072 7.8677 118.0289 60.5246 34.7502 175.5798 1036 L 4.0317 8.5346 125.7734 56.7803 41.8197 176.7800 1037 D 4.5246 9.4550 122.8008 55.0726 38.8125 173.8239 1038 K 4.7032 7.7496 116.2849 54.9339 37.3276 175.5958 1039 I 4.7478 8.4894 123.8642 59.8488 39.3646 174.1173 1040 Q 5.2890 9.0981 129.4509 54.8956 30.6208 174.7513 1041 V 4.9177 9.1272 119.5903 58.5135 36.2022 175.9596 1042 T 4.5296 8.3110 113.2387 60.7424 69.8846 174.5656 1043 E 3.7964 8.5176 119.9627 59.7050 29.2978 179.0269 1044 E 3.9562 8.1985 117.3767 60.3416 29.7370 179.9724 1045 T 3.8917 7.5357 115.4331 66.4406 68.2980 176.9906 1046 S 4.0032 8.2695 115.5163 61.3981 63.1833 176.0877 1047 L 3.9992 8.0628 123.1085 57.6574 41.5591 179.3924 1048 I 3.7300 7.6159 118.9327 64.7524 37.1601 178.4786 1049 L 3.9533 7.9661 119.3921 57.9173 41.4403 179.6528 1050 Q 5.1448 8.3885 119.6367 58.2813 28.5286 177.9941 1051 T 4.1850 7.6845 108.5061 63.2707 69.0851 175.5596 1052 L 4.5924 7.7774 120.3789 54.0861 42.7473 176.2686 1053 G 3.8881 7.3964 105.1119 45.2319 0.0000 173.3354 1054 Y 4.6689 9.0497 119.5208 56.9847 40.0360 174.5920 1055 T 4.9016 8.5364 112.7725 60.4656 71.3796 173.1426 1056 C 5.5750 8.7091 120.7760 58.3803 32.2142 173.2711 1057 T 4.7420 8.5229 117.5538 61.6765 71.5456 173.0047 1058 C 3.6562 8.8053 126.4134 59.2465 31.2369 172.9393 1059 R 3.6906 8.0621 128.3377 57.7448 29.6931 176.7817 1060 G 3.9551 6.7160 108.2554 45.7098 0.0000 171.7366 1061 I 4.8149 7.8348 125.8582 59.2808 39.9405 174.6136 1062 I 4.5628 8.7909 126.2298 59.1328 41.4717 173.2723 1063 N 5.1753 8.7342 126.9328 52.2287 40.3555 173.9384 1064 V 4.2736 8.9617 126.9524 60.5606 33.6680 174.8054 1065 K 3.9059 8.7414 129.2503 58.3717 32.2498 176.9075 1066 G 4.0165 9.0936 113.5947 45.4227 0.0000 173.4310 1067 K 4.4773 8.1963 118.0724 54.9082 34.8467 177.4956 1068 G 4.0136 7.9636 105.8213 46.6799 0.0000 172.9644 1069 D 5.4247 8.5269 123.6107 52.4604 42.9519 175.1607 1070 L 4.8734 9.2683 121.7372 52.7808 46.4479 175.2442 1071 K 5.0932 8.8661 121.6829 54.4669 33.4473 175.3935 1072 T 4.9289 8.1484 117.4677 60.4346 71.9684 172.7871 1073 Y 4.9947 9.1890 119.2095 56.4695 43.2062 174.2605 1074 F 5.6564 9.1463 120.2770 55.6674 41.4269 175.2870 1075 V 3.9572 8.7364 124.8507 63.1162 31.6904 175.5340 1076 N 4.6909 9.3683 127.1791 53.6142 39.2823 175.8563 1077 T 4.2489 8.4637 118.2344 63.7786 69.0119 174.2057 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 879 H 8.43 4.87 0.00 3.68 3.55 0.00 5.50 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 880 Q 8.53 4.50 0.00 2.15 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.84 0.00 0.00 0.00 0.00 0.00 2.43 2.31 0.00 881 S 9.16 4.95 0.00 3.91 3.90 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 0.00 0.00 0.00 882 Y 9.35 4.49 0.00 2.93 2.99 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 0.00 883 D 8.86 4.63 0.00 2.60 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 0.00 884 C 8.17 4.54 0.00 3.01 2.90 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 0.00 0.00 0.00 885 V 9.01 4.39 1.99 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 0.71 0.00 0.00 0.79 0.00 0.00 886 C 8.96 4.58 0.00 2.88 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 0.00 887 V 8.72 4.43 2.11 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 0.81 0.00 0.00 0.86 0.00 0.00 888 M 8.48 5.36 0.00 2.16 1.79 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.50 0.00 889 F 8.97 5.13 0.00 3.00 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 0.00 890 A 9.31 5.10 1.14 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 0.00 0.00 891 S 8.94 4.95 0.00 4.01 4.10 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.84 4.93 1.81 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.96 0.89 0.00 0.00 893 P 0.00 4.46 0.00 2.25 2.25 0.00 3.84 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.05 0.00 894 D 8.21 4.71 0.00 3.24 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 0.00 895 F 8.84 4.52 0.00 3.12 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 0.00 896 K 8.53 4.04 0.00 1.92 1.97 0.00 1.90 0.00 0.00 1.82 0.00 0.00 3.13 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.52 1.62 7.81 897 E 8.22 4.18 0.00 2.21 2.13 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 2.53 2.45 0.00 898 F 7.67 4.21 0.00 3.17 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 0.00 899 Y 7.60 3.89 0.00 2.58 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 0.00 900 T 7.11 4.04 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 0.87 0.00 0.00 901 E 8.13 4.07 0.00 1.86 1.79 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 2.22 1.96 0.00 902 S 7.42 4.58 0.00 3.91 3.86 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 0.00 903 D 8.38 4.31 0.00 2.63 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 0.00 904 V 7.80 3.75 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 0.93 0.00 0.00 0.90 0.00 0.00 905 N 7.96 4.70 0.00 2.90 2.93 0.00 0.00 7.02 8.69 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 0.00 906 K 8.30 3.93 0.00 1.90 1.96 0.00 1.81 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.55 7.81 907 E 8.50 3.52 0.00 2.23 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 2.17 2.22 0.00 908 G 9.76 3.91 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 0.00 0.00 0.00 909 L 7.32 4.06 0.00 1.84 1.74 0.97 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 910 E 8.49 4.19 0.00 2.08 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 2.43 2.51 0.00 911 C 8.12 4.40 0.00 3.40 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 0.00 912 L 8.10 4.27 0.00 1.96 1.83 1.02 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 913 R 7.94 3.92 0.00 1.94 2.22 0.00 3.15 0.00 0.00 3.13 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 914 L 8.21 4.08 0.00 2.06 2.17 0.97 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 915 L 7.95 3.62 0.00 1.56 1.80 0.12 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 916 N 8.32 4.24 0.00 2.95 2.99 0.00 0.00 7.15 8.40 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0.00 0.00 0.00 1.10 1.20 0.85 0.00 0.00 1001 N 8.90 5.07 0.00 2.78 2.61 0.00 0.00 6.65 7.44 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 1002 H 8.93 5.85 0.00 2.98 3.04 0.00 5.29 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1003 G 8.06 3.87 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 0.00 0.00 0.00 1004 P 0.00 4.90 0.00 2.12 2.10 0.00 3.69 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.01 0.00 1005 V 8.36 4.70 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.81 0.00 0.00 1006 I 9.15 4.90 2.10 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 1.24 0.79 1.05 0.00 0.00 1007 A 8.66 4.17 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 1008 G 6.32 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 0.00 0.00 0.00 0.00 1009 V 8.20 4.96 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 0.93 0.00 0.00 1.16 0.00 0.00 1010 I 9.02 4.56 2.32 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 1.31 1.26 0.00 0.00 1011 G 8.99 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 0.00 0.00 0.00 1012 A 8.53 3.89 1.30 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 0.00 0.00 0.00 1013 Q 7.44 3.71 0.00 2.06 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.07 0.00 0.00 0.00 0.00 0.00 2.39 2.34 0.00 1014 K 7.45 4.39 0.00 1.68 1.71 0.00 1.83 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.32 1.42 7.81 1015 P 0.00 4.76 0.00 2.00 2.07 0.00 3.74 0.00 0.00 5.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.26 0.00 1016 Q 8.89 4.72 0.00 2.03 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.99 0.00 0.00 0.00 0.00 0.00 2.28 2.55 0.00 1017 Y 8.66 4.90 0.00 2.87 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 1018 D 8.88 4.15 0.00 2.30 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 1019 I 7.28 4.23 1.61 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 0.94 0.50 0.48 0.00 0.00 1020 W 9.06 5.03 0.00 3.39 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 1021 G 9.22 4.53 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 0.00 0.00 0.00 1022 N 8.87 4.35 0.00 2.85 2.84 0.00 0.00 6.89 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 1023 T 8.00 3.86 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 1.22 0.00 0.00 1024 V 7.46 3.75 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 0.73 0.00 0.00 1.01 0.00 0.00 1025 N 8.15 4.18 0.00 2.75 3.00 0.00 0.00 6.82 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 1026 V 7.59 3.55 2.37 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 0.89 0.00 0.00 0.98 0.00 0.00 1027 A 7.82 4.14 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 0.00 0.00 0.00 0.00 0.00 1028 S 7.85 3.02 0.00 2.72 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 1029 R 8.10 3.46 0.00 1.93 1.94 0.00 3.27 0.00 0.00 3.22 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.65 0.00 1030 M 7.89 4.47 0.00 2.25 2.23 0.00 0.00 0.00 0.00 0.00 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.54 0.00 1031 D 8.50 4.76 0.00 2.58 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 1032 S 7.90 4.37 0.00 4.02 4.05 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 0.00 0.00 0.00 1033 T 7.43 4.58 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 1.23 0.00 0.00 1034 G 7.97 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 0.00 0.00 0.00 1035 V 7.87 4.41 1.59 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 0.88 0.00 0.00 0.91 0.00 0.00 1036 L 8.53 4.03 0.00 1.66 1.63 0.94 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 1037 D 9.46 4.52 0.00 2.76 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 1038 K 7.75 4.70 0.00 1.45 1.19 0.00 1.46 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.33 1.05 7.81 1039 I 8.49 4.75 1.94 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.98 0.91 0.00 0.00 1040 Q 9.10 5.29 0.00 2.43 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.71 0.00 0.00 0.00 0.00 0.00 2.32 2.32 0.00 1041 V 9.13 4.92 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 0.68 0.00 0.00 1.05 0.00 0.00 1042 T 8.31 4.53 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 1.22 0.00 0.00 1043 E 8.52 3.80 0.00 2.07 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 2.76 2.71 0.00 1044 E 8.20 3.96 0.00 2.07 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 0.00 2.40 2.50 0.00 1045 T 7.54 3.89 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 1.14 0.00 0.00 1046 S 8.27 4.00 0.00 3.55 3.73 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 1047 L 8.06 4.00 0.00 1.81 1.74 0.90 0.64 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 1048 I 7.62 3.73 1.90 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 1.64 1.33 0.96 0.00 0.00 1049 L 7.97 3.95 0.00 1.82 1.59 0.77 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 1050 Q 8.39 5.14 0.00 2.30 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.86 0.00 0.00 0.00 0.00 0.00 2.63 2.46 0.00 1051 T 7.68 4.19 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 1.31 0.00 0.00 1052 L 7.78 4.59 0.00 2.07 1.96 0.91 1.02 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 1053 G 7.40 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 0.00 0.00 0.00 1054 Y 9.05 4.67 0.00 2.95 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 1055 T 8.54 4.90 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 1.25 0.00 0.00 1056 C 8.71 5.58 0.00 2.94 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 1057 T 8.52 4.74 4.41 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 1.29 0.00 0.00 1058 C 8.81 3.66 0.00 2.66 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 1059 R 8.06 3.69 0.00 0.67 1.40 0.00 3.40 0.00 0.00 3.05 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.57 0.00 1060 G 6.72 3.96 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 0.00 0.00 0.00 1061 I 7.83 4.81 1.83 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.95 0.92 0.00 0.00 1062 I 8.79 4.56 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 1.10 1.75 0.88 0.00 0.00 1063 N 8.73 5.18 0.00 2.95 2.69 0.00 0.00 6.80 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 1064 V 8.96 4.27 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 0.93 0.00 0.00 0.91 0.00 0.00 1065 K 8.74 3.91 0.00 1.74 1.72 0.00 1.86 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.46 7.81 1066 G 9.09 4.02 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 0.00 0.00 0.00 1067 K 8.20 4.48 0.00 1.63 1.86 0.00 1.83 0.00 0.00 1.70 0.00 0.00 2.80 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.32 1.34 7.81 1068 G 7.96 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 1069 D 8.53 5.42 0.00 2.54 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 1070 L 9.27 4.87 0.00 1.49 1.51 0.91 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 1071 K 8.87 5.09 0.00 1.70 1.74 0.00 1.84 0.00 0.00 0.61 0.00 0.00 2.81 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.89 1.09 7.81 1072 T 8.15 4.93 4.14 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 1.21 0.00 0.00 1073 Y 9.19 4.99 0.00 2.80 2.93 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 1074 F 9.15 5.66 0.00 3.00 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 1075 V 8.74 3.96 2.22 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 0.96 0.00 0.00 0.94 0.00 0.00 1076 N 9.37 4.69 0.00 2.81 2.82 0.00 0.00 6.90 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1077 T 8.46 4.25 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 0.89 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.