NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 878 Y 4.5579 8.1449 118.3618 58.1339 39.3615 173.9546 879 H 5.1675 8.6748 120.4587 53.9082 30.5919 172.7733 880 Q 4.7317 9.9338 124.2785 54.4721 32.6315 174.2687 881 S 5.1843 8.6987 121.3919 58.3622 64.5520 173.1043 882 Y 4.7285 8.7683 119.2033 56.7649 41.6287 176.1308 883 D 4.6165 9.0475 121.6279 56.1629 42.0800 176.5947 884 C 4.9047 7.8091 117.8449 57.2745 31.4404 172.1453 885 V 4.4997 8.8054 122.0489 60.7070 34.2073 173.5121 886 C 4.9677 8.9361 128.4045 58.1267 33.2068 172.3741 887 V 4.7134 8.6754 126.5054 61.5291 34.1890 174.0233 888 M 5.2855 8.7665 125.0055 53.9897 36.3624 173.5356 889 F 5.1566 9.3403 123.7169 55.6611 42.4907 173.9327 890 A 4.8563 9.3737 126.9230 50.5403 21.0272 175.5685 891 S 4.9102 8.9673 118.3232 57.8016 66.0654 173.9915 892 I 5.2368 7.5429 118.4473 58.3741 36.4120 174.3683 893 P 4.2583 0.0000 0.0000 65.7766 31.8381 177.5952 894 D 4.7149 8.2390 116.0260 55.8767 41.6595 178.0975 895 F 4.2035 8.7558 122.2709 61.2250 39.1031 176.5451 896 K 3.9096 8.4017 117.6210 59.8749 31.8683 177.6819 897 E 4.1547 8.1952 118.1002 59.0041 29.7748 177.9689 898 F 4.4099 7.8759 120.0296 59.9934 39.6106 175.0026 899 Y 3.7297 7.3908 120.5381 57.3840 39.2462 174.8095 900 T 4.3457 7.1924 115.6088 59.9322 71.9467 172.5049 901 E 4.5017 8.3733 122.1072 54.6540 31.0392 175.5243 902 S 4.7093 8.1892 117.2081 56.2487 66.4417 174.6802 903 D 4.3637 8.4907 119.6830 56.8905 40.9232 178.5712 904 V 3.7099 7.8035 118.6041 65.6002 31.9129 176.1448 905 N 4.6620 8.0984 115.4860 51.9690 37.6794 175.1302 906 K 3.9515 8.6107 115.8621 58.4573 29.4562 174.8299 907 E 3.8320 9.3862 109.8159 57.5698 27.9848 176.6631 908 G 3.6979 9.1061 106.9158 45.1518 0.0000 176.0824 909 L 4.0077 7.8130 121.8313 58.3314 42.1128 178.6806 910 E 4.0745 8.2873 118.4218 59.5220 29.3324 179.3229 911 C 4.5260 8.0105 116.4304 62.9922 28.3667 175.9409 912 L 4.3248 8.2040 120.2886 57.6613 40.9922 179.4933 913 R 3.9487 8.2020 119.0730 59.3601 29.9990 178.3534 914 L 4.0620 7.8871 118.8475 57.9476 42.0714 178.5885 915 L 3.6450 7.9590 119.9933 58.0192 41.9459 178.4591 916 N 4.2257 8.3340 117.0418 56.7474 38.8647 176.7525 917 E 3.9559 7.9151 119.8978 59.2097 29.6346 179.4112 918 I 3.2691 7.6033 119.7930 64.3299 37.1788 178.5195 919 I 3.4410 7.5564 120.4267 64.1799 36.8865 178.2938 920 A 4.0234 7.8696 121.5621 55.4643 17.9920 179.5139 921 D 4.3816 7.7376 116.1336 57.2992 41.1043 178.7972 922 F 4.4005 7.8586 118.2151 60.6884 38.7707 177.5278 923 D 4.6688 8.8726 118.8376 57.3919 40.7822 178.1073 924 D 4.6419 8.2686 118.3618 56.0681 40.8684 178.2088 925 L 4.4184 8.1293 120.1767 57.2202 41.5103 178.8241 926 L 4.2973 7.8328 117.9824 57.0524 41.6019 178.5303 927 S 4.5786 7.5628 112.2092 57.8903 63.5745 174.2821 928 K 4.2387 7.8382 123.5908 55.2206 32.5428 176.0152 929 P 4.2465 0.0000 0.0000 65.6865 31.3718 178.2392 930 K 4.0271 7.7856 114.8722 58.4507 32.9542 177.3046 931 F 5.2526 8.4803 118.5811 57.2349 39.4303 177.2105 932 S 4.4066 7.9490 117.9518 60.9549 62.5367 175.4505 933 G 3.8642 8.0348 107.6172 45.2405 0.0000 173.0960 934 V 4.0010 7.9367 120.9895 61.2447 32.4364 174.6458 935 E 4.5418 8.6545 127.1697 54.2977 31.7537 175.0092 936 K 4.1540 8.5032 126.7829 56.3375 32.3938 176.4165 937 I 3.9715 8.2564 129.5107 63.2375 37.7998 175.9199 938 K 4.2527 6.7903 117.9333 56.8177 35.9597 172.6405 939 T 4.7399 8.3306 109.8733 60.5283 71.3581 173.7612 940 I 4.1693 8.5182 128.3722 60.1734 38.6394 177.8812 941 G 3.8828 8.6356 118.2523 46.8796 0.0000 173.3839 942 S 4.5026 8.9973 117.4934 57.8499 63.6415 172.9249 943 T 4.9423 8.1790 118.3586 62.6934 70.8634 172.7988 944 Y 4.7813 9.1756 126.9085 56.0879 41.2158 173.7502 945 M 4.7413 8.2211 126.4100 53.6082 34.6608 174.3342 946 A 4.9705 8.5100 126.0640 50.8031 23.6337 174.2388 947 A 5.1052 8.8109 119.7957 50.8298 23.2113 175.5427 948 T 4.7079 9.0558 109.3552 60.7529 72.3475 174.8151 949 G 4.0542 9.0291 111.2285 45.6147 0.0000 174.2158 950 L 3.9038 7.6023 118.2515 55.3030 42.0430 177.2368 951 S 4.7376 7.9120 112.6559 58.0546 63.5717 173.6208 952 A 4.6492 7.8777 125.3172 51.6601 21.7132 177.1649 *964 R 4.1828 8.0985 111.9920 56.7648 31.0528 176.2751 965 Q 4.3572 7.5998 115.2794 56.6578 30.6177 177.2848 966 Y 4.7139 7.4427 114.2473 58.1625 38.5942 176.8896 967 M 4.1600 8.1950 119.0106 58.7480 31.1002 177.9776 968 H 4.2770 8.2499 115.6648 58.6405 28.0725 177.5621 969 I 3.7710 7.6128 122.7956 64.1689 36.7958 178.6293 970 G 3.6715 7.9314 106.0620 47.8862 0.0000 175.8210 971 T 4.0706 7.9963 118.1692 66.7148 68.4978 176.3446 972 M 4.0090 7.9797 119.9042 58.7288 32.2328 178.5191 973 V 3.4032 7.4150 117.2680 65.8325 31.5125 177.9227 974 E 4.2497 8.0695 118.3025 59.1861 29.4005 179.0284 975 F 3.6139 8.2851 120.8377 60.8274 39.3461 177.2367 976 A 3.7454 7.8720 120.4069 54.9882 17.8683 179.3185 977 Y 4.4158 7.6131 114.8094 61.3409 37.9882 178.4070 978 A 4.0040 7.8488 121.3978 55.0810 18.4184 179.6842 979 L 3.1861 7.1896 117.2771 57.5466 41.3907 179.7837 980 V 3.6957 7.3005 116.9752 65.8287 31.4121 178.3336 981 G 3.5916 7.7655 105.2840 47.8091 0.0000 175.8642 982 K 4.0504 7.9996 121.2795 59.1029 32.0544 179.3152 983 L 4.1436 8.6869 121.0136 58.1918 42.1361 178.7444 984 D 4.3634 8.6084 119.2388 57.0105 40.4508 178.6145 985 A 3.9967 7.9720 121.5129 55.0975 18.3619 179.6115 986 I 3.6916 7.7310 118.3392 64.7482 37.1084 178.1405 987 N 4.2167 8.3022 117.2436 56.3480 38.1542 177.1054 988 K 3.6828 7.5705 119.1502 59.9013 32.3421 178.0259 989 H 4.2737 7.6826 114.2284 56.9447 28.9248 176.7486 990 S 4.7141 7.8672 114.1842 56.8433 63.4333 173.7124 991 F 3.7039 7.4599 118.7454 59.1084 36.4214 173.7959 992 N 5.0128 7.5204 118.6688 51.8662 41.6525 172.9509 993 D 4.7525 7.4980 115.9834 52.1066 39.3603 175.7033 994 F 4.5454 8.1363 117.7265 58.8729 39.7728 175.3235 995 K 4.7211 8.5750 123.1373 54.4355 35.4467 175.4818 996 L 4.7176 8.2582 123.9528 54.3886 44.3118 175.4284 997 R 4.7325 8.8579 124.2674 54.8186 32.7291 173.9979 998 V 4.8687 8.4645 126.6126 61.4125 34.3833 174.8193 999 G 4.5394 8.8046 112.2218 44.7778 0.0000 171.5047 1000 I 5.3688 8.7256 124.6567 59.6908 41.5958 173.9607 1001 N 5.4831 8.9288 123.1646 52.6127 43.0838 172.3219 1002 H 5.3353 8.9138 115.4079 53.6040 32.2591 174.2401 1003 G 3.8935 7.7943 106.0266 44.7841 0.0000 169.8236 1004 P 5.5656 0.0000 0.0000 62.8402 32.3207 176.0022 1005 V 4.8080 8.3408 113.4906 60.3713 37.0147 173.3399 1006 I 5.1488 8.7150 121.9098 59.6528 40.0072 174.9321 1007 A 4.9191 10.4297 128.1983 49.4759 22.3370 177.0295 1008 G 4.2866 6.7164 106.5769 45.7117 0.0000 171.5790 1009 V 4.9180 8.0227 118.9699 61.2053 33.7276 175.4684 1010 I 4.5339 7.8700 123.3458 60.1247 41.4926 176.6249 1011 G 3.7806 8.6599 110.9731 44.8808 0.0000 173.0594 1012 A 4.6097 8.2989 120.3556 51.4234 20.5986 176.6684 1013 Q 3.9623 7.9006 117.3243 55.9948 28.8616 175.5593 1014 K 4.6600 8.0389 115.9244 53.8119 35.5301 175.5555 1015 P 4.4939 0.0000 0.0000 62.5708 29.2681 174.1623 1016 Q 4.6649 8.1209 119.9753 53.6159 30.8754 174.6937 1017 Y 4.4446 8.7107 126.1750 58.0831 39.8477 174.1469 1018 D 4.2979 7.8154 124.3557 53.1335 45.5567 173.4153 1019 I 4.6967 6.9114 113.2277 58.6655 40.5565 174.4538 1020 W 4.8024 10.0479 123.7110 54.7411 33.9262 174.2081 1021 G 4.6046 8.8730 106.7480 43.1608 0.0000 174.1865 1022 N 4.3748 8.5433 118.2347 56.7799 38.8573 176.9223 1023 T 3.9844 7.8921 116.9692 66.6580 68.4534 176.5542 1024 V 3.7757 7.6760 119.6442 65.7009 31.6521 177.8320 1025 N 4.2466 7.9867 116.0625 56.3686 38.4569 177.5910 1026 V 3.5644 8.1113 119.6839 65.6702 31.6842 177.7684 1027 A 4.0094 7.9719 120.5881 55.4193 18.2914 179.6045 1028 S 3.3494 7.6184 111.3404 61.2663 62.2676 176.5949 1029 R 3.9769 7.6693 122.0341 58.7275 29.5311 178.8073 1030 M 4.1654 7.7556 117.7012 57.5861 32.0340 177.8648 1031 D 4.5412 7.5013 117.9699 56.9115 41.2277 178.4856 1032 S 4.0854 8.2125 114.2528 60.7766 63.0768 175.5797 1033 T 4.4879 7.8524 109.4568 61.1403 68.5890 174.6856 1034 G 4.0936 7.9865 112.5312 45.0173 0.0000 173.2787 1035 V 4.4603 7.9626 117.2588 60.2262 34.0978 174.7986 1036 L 4.1337 8.4168 125.6822 56.6996 41.8685 176.9703 1037 D 4.5694 8.9896 121.1317 54.7241 39.2142 173.5751 1038 K 4.7248 7.7825 117.8629 54.5252 36.5668 175.2580 1039 I 4.7829 8.3084 122.0241 59.8448 40.0868 174.2409 1040 Q 5.1066 9.1984 129.9419 54.8238 30.7008 174.9969 1041 V 5.3077 9.0034 119.2860 58.8161 35.9885 175.3750 1042 T 4.4823 8.1187 112.2776 60.4750 70.7361 175.4858 1043 E 3.8999 8.7874 120.8030 59.7807 29.6097 178.4908 1044 E 3.9735 8.0728 117.9549 59.5864 29.5616 179.3733 1045 T 3.9215 7.5241 115.1890 66.4839 68.4455 176.7284 1046 S 3.9584 8.0850 115.3698 61.0890 62.3647 176.2092 1047 L 3.8408 7.7255 121.7005 57.8273 41.2559 179.5046 1048 I 3.4704 7.4443 119.5536 64.3304 37.0277 178.4527 1049 L 3.9980 7.8777 119.7128 57.9073 41.3224 179.6632 1050 Q 4.5106 8.3880 119.5866 58.7266 28.4530 178.9023 1051 T 3.9604 7.6992 109.5520 64.4553 68.7607 175.5206 1052 L 4.4647 7.5177 119.4516 54.5826 42.0188 176.9995 1053 G 3.8504 8.5916 107.5984 46.0616 0.0000 172.8218 1054 Y 4.7558 7.9551 116.2621 56.0608 41.0360 175.3148 1055 T 4.6774 8.5878 119.8551 62.9099 70.4793 173.5282 1056 C 5.4756 8.7044 122.3641 58.3331 32.3128 173.3263 1057 T 4.7622 9.1343 119.6619 61.5087 70.8986 173.3555 1058 C 3.6937 8.8881 127.1809 59.8261 31.4568 173.1661 1059 R 3.9590 8.2196 126.7507 56.7335 30.9954 174.4949 1060 G 3.5453 7.5842 103.0354 43.9268 0.0000 171.2154 1061 I 4.8369 8.0441 119.8804 59.7631 38.2946 175.7138 1062 I 4.5029 8.4435 120.6185 58.8314 40.8725 174.7345 1063 N 4.8925 8.7596 123.5488 53.2642 38.9406 173.7767 1064 V 3.9588 8.5928 127.6302 61.1260 33.0682 174.1170 1065 K 3.9519 8.7941 129.6951 59.9443 31.6598 175.6516 1066 G 4.0741 9.1008 115.5780 44.9546 0.0000 173.1040 1067 K 4.2684 8.5104 117.8646 55.7387 34.3647 176.9243 1068 G 3.7468 7.8654 104.4884 43.8440 0.0000 171.0047 1069 D 4.8507 8.4952 120.6241 54.7633 41.3941 176.1092 1070 L 4.7861 8.8518 124.0358 52.5595 45.2819 175.7210 1071 K 4.7017 8.6921 125.2168 56.0160 33.0811 175.7707 1072 T 4.8918 8.3576 116.4143 60.1537 72.6180 172.2311 1073 Y 4.9987 8.7534 118.8845 56.2706 42.6868 174.3216 1074 F 5.5805 9.0690 120.2082 55.7869 41.4440 175.5962 1075 V 4.1433 8.5973 124.5654 63.0195 32.2488 175.0281 1076 N 4.8579 9.1475 126.0128 52.4863 39.3654 175.5557 1077 T 4.5679 8.5090 119.2559 63.1123 68.7582 174.7740 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 878 Y 8.14 4.56 0.00 3.04 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 0.00 879 H 8.67 5.17 0.00 3.16 3.27 0.00 5.66 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 880 Q 9.93 4.73 0.00 2.22 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.90 0.00 0.00 0.00 0.00 0.00 2.06 2.26 0.00 881 S 8.70 5.18 0.00 3.80 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 0.00 882 Y 8.77 4.73 0.00 2.92 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 0.00 883 D 9.05 4.62 0.00 2.72 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 7.81 4.90 0.00 3.06 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 0.00 885 V 8.81 4.50 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 0.81 0.00 0.00 0.83 0.00 0.00 886 C 8.94 4.97 0.00 3.08 2.81 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 0.00 887 V 8.68 4.71 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 0.78 0.00 0.00 0.87 0.00 0.00 888 M 8.77 5.29 0.00 2.03 1.79 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.53 0.00 889 F 9.34 5.16 0.00 3.05 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 0.00 890 A 9.37 4.86 1.21 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 0.00 0.00 891 S 8.97 4.91 0.00 3.96 3.84 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 0.00 892 I 7.54 5.24 1.78 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.76 0.77 0.00 0.00 893 P 0.00 4.26 0.00 2.12 2.21 0.00 3.89 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 2.10 2.20 0.00 894 D 8.24 4.71 0.00 3.10 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 0.00 895 F 8.76 4.20 0.00 2.89 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 0.00 896 K 8.40 3.91 0.00 1.89 1.94 0.00 1.88 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.57 7.81 897 E 8.20 4.15 0.00 2.09 2.26 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 2.35 2.40 0.00 898 F 7.88 4.41 0.00 3.15 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 0.00 899 Y 7.39 3.73 0.00 2.61 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 0.00 900 T 7.19 4.35 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 1.03 0.00 0.00 901 E 8.37 4.50 0.00 1.84 1.82 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 2.08 2.00 0.00 902 S 8.19 4.71 0.00 3.86 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 0.00 903 D 8.49 4.36 0.00 2.66 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 0.00 904 V 7.80 3.71 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 0.79 0.00 0.00 0.90 0.00 0.00 905 N 8.10 4.66 0.00 2.93 2.91 0.00 0.00 7.12 6.22 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 0.00 906 K 8.61 3.95 0.00 1.97 1.87 0.00 1.97 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.43 1.43 7.81 907 E 9.39 3.83 0.00 2.07 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 2.24 2.26 0.00 908 G 9.11 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 0.00 0.00 0.00 909 L 7.81 4.01 0.00 1.84 1.70 0.97 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 910 E 8.29 4.07 0.00 2.03 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 2.41 2.51 0.00 911 C 8.01 4.53 0.00 3.26 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 0.00 912 L 8.20 4.32 0.00 2.03 1.83 1.04 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 913 R 8.20 3.95 0.00 1.96 2.17 0.00 3.15 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.68 0.00 914 L 7.89 4.06 0.00 2.08 2.17 1.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 915 L 7.96 3.65 0.00 1.59 1.73 0.17 0.35 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 924 D 8.27 4.64 0.00 2.76 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 0.00 925 L 8.13 4.42 0.00 2.00 1.98 0.41 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 926 L 7.83 4.30 0.00 1.73 1.79 1.08 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 927 S 7.56 4.58 0.00 3.98 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 0.00 928 K 7.84 4.24 0.00 1.96 1.65 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.82 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.64 1.72 7.81 929 P 0.00 4.25 0.00 2.12 2.11 0.00 3.56 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.11 0.00 930 K 7.79 4.03 0.00 1.58 1.70 0.00 0.71 0.00 0.00 1.18 0.00 0.00 2.82 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.74 0.21 7.81 931 F 8.48 5.25 0.00 3.35 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 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0.00 0.00 0.00 1.10 1.15 0.93 0.00 0.00 1001 N 8.93 5.48 0.00 2.79 2.62 0.00 0.00 6.50 7.38 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 1002 H 8.91 5.34 0.00 3.35 3.17 0.00 5.73 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 7.79 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 1004 P 0.00 5.57 0.00 2.14 2.12 0.00 3.36 0.00 0.00 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.87 0.00 1005 V 8.34 4.81 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 0.81 0.00 0.00 0.88 0.00 0.00 1006 I 8.72 5.15 2.10 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.18 1.01 0.00 0.00 1007 A 10.43 4.92 1.20 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 0.00 0.00 1008 G 6.72 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 0.00 0.00 0.00 0.00 1009 V 8.02 4.92 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 0.98 0.00 0.00 1.08 0.00 0.00 1010 I 7.87 4.53 1.71 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.60 0.97 0.00 0.00 1011 G 8.66 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.30 4.61 1.22 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 0.00 0.00 1013 Q 7.90 3.96 0.00 2.03 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.92 6.68 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 1014 K 8.04 4.66 0.00 1.77 1.69 0.00 1.81 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.34 1.43 7.81 1015 P 0.00 4.49 0.00 2.07 2.08 0.00 3.64 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.12 0.00 1016 Q 8.12 4.66 0.00 1.95 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.94 0.00 0.00 0.00 0.00 0.00 2.27 2.34 0.00 1017 Y 8.71 4.44 0.00 2.91 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 7.82 4.30 0.00 2.41 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 6.91 4.70 1.63 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.53 0.54 0.00 0.00 1020 W 10.05 4.80 0.00 3.34 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 1021 G 8.87 4.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.54 4.37 0.00 2.86 2.84 0.00 0.00 6.88 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 7.89 3.98 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 1.27 0.00 0.00 1024 V 7.68 3.78 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 1.19 0.00 0.00 0.94 0.00 0.00 1025 N 7.99 4.25 0.00 3.02 2.82 0.00 0.00 6.57 7.07 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 1026 V 8.11 3.56 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 1.00 0.00 0.00 0.97 0.00 0.00 1027 A 7.97 4.01 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.62 3.35 0.00 2.72 3.56 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 1029 R 7.67 3.98 0.00 1.99 1.92 0.00 3.31 0.00 0.00 3.19 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.62 0.00 1030 M 7.76 4.17 0.00 2.26 2.34 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 2.64 2.91 0.00 1031 D 7.50 4.54 0.00 3.09 2.81 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 1032 S 8.21 4.09 0.00 4.02 4.06 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 1033 T 7.85 4.49 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 1.25 0.00 0.00 1034 G 7.99 4.09 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 0.00 0.00 0.00 1035 V 7.96 4.46 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 0.92 0.00 0.00 1.04 0.00 0.00 1036 L 8.42 4.13 0.00 1.67 1.62 0.96 1.13 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 1037 D 8.99 4.57 0.00 2.81 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 7.78 4.72 0.00 1.61 1.33 0.00 1.26 0.00 0.00 1.49 0.00 0.00 2.68 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.28 0.79 7.81 1039 I 8.31 4.78 1.88 0.00 0.00 0.50 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 0.69 0.85 0.00 0.00 1040 Q 9.20 5.11 0.00 2.41 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.61 0.00 0.00 0.00 0.00 0.00 2.23 2.08 0.00 1041 V 9.00 5.31 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 0.97 0.00 0.00 1.01 0.00 0.00 1042 T 8.12 4.48 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 1.20 0.00 0.00 1043 E 8.79 3.90 0.00 2.34 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 2.37 2.51 0.00 1044 E 8.07 3.97 0.00 2.04 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 2.36 2.43 0.00 1045 T 7.52 3.92 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 1.16 0.00 0.00 1046 S 8.09 3.96 0.00 3.65 3.62 0.00 0.00 0.00 0.00 0.00 0.00 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 7.73 3.84 0.00 1.80 1.61 0.87 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 1048 I 7.44 3.47 1.70 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.55 0.40 0.00 0.00 1049 L 7.88 4.00 0.00 1.78 1.67 0.68 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 1050 Q 8.39 4.51 0.00 2.24 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.79 0.00 0.00 0.00 0.00 0.00 2.60 2.45 0.00 1051 T 7.70 3.96 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 1.31 0.00 0.00 1052 L 7.52 4.46 0.00 2.05 1.94 1.06 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 1053 G 8.59 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 0.00 0.00 0.00 1054 Y 7.96 4.76 0.00 3.02 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 1055 T 8.59 4.68 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 1.28 0.00 0.00 1056 C 8.70 5.48 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 1057 T 9.13 4.76 4.44 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 1.31 0.00 0.00 1058 C 8.89 3.69 0.00 2.79 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 1059 R 8.22 3.96 0.00 0.67 1.52 0.00 3.32 0.00 0.00 3.04 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.06 0.00 1060 G 7.58 3.55 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 0.00 0.00 0.00 1061 I 8.04 4.84 1.83 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 1.36 0.45 0.88 0.00 0.00 1062 I 8.44 4.50 1.84 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 1.04 0.70 0.87 0.00 0.00 1063 N 8.76 4.89 0.00 2.75 2.80 0.00 0.00 6.96 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 8.59 3.96 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 0.72 0.00 0.00 0.90 0.00 0.00 1065 K 8.79 3.95 0.00 1.71 1.77 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.09 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.52 7.81 1066 G 9.10 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 0.00 0.00 0.00 0.00 1067 K 8.51 4.27 0.00 1.66 1.83 0.00 1.70 0.00 0.00 1.80 0.00 0.00 2.84 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.36 1.48 7.81 1068 G 7.87 3.75 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 0.00 0.00 0.00 1069 D 8.50 4.85 0.00 2.56 2.63 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 1070 L 8.85 4.79 0.00 1.51 1.49 0.90 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 1071 K 8.69 4.70 0.00 1.74 1.74 0.00 1.99 0.00 0.00 1.72 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.12 1.29 7.81 1072 T 8.36 4.89 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 1.18 0.00 0.00 1073 Y 8.75 5.00 0.00 2.86 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 1074 F 9.07 5.58 0.00 3.09 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 8.60 4.14 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 0.83 0.00 0.00 0.89 0.00 0.00 1076 N 9.15 4.86 0.00 2.88 2.84 0.00 0.00 7.01 7.19 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 1077 T 8.51 4.57 4.27 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 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.