NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 879 H 4.8758 8.4293 116.3425 55.5396 30.0045 171.9354 880 Q 4.7343 8.1556 120.1563 52.8266 31.9502 172.4086 881 S 5.4447 9.3015 114.3651 56.9672 66.3779 173.7038 882 Y 4.8673 9.1240 117.6991 56.8244 41.8728 175.8254 883 D 4.8050 8.9968 118.6033 55.6157 43.0007 176.9509 884 C 4.8816 7.8593 118.0039 58.0043 32.5302 171.7920 885 V 4.5359 8.8573 122.8365 60.6045 34.2406 173.4382 886 C 4.7328 8.9114 128.5933 58.2489 32.9033 172.1896 887 V 4.6618 8.6274 127.2679 61.5240 33.7346 174.2039 888 M 5.2831 8.8417 126.2790 53.8821 35.9295 173.4927 889 F 5.2586 9.2022 124.2238 55.6057 42.0997 174.2195 890 A 5.2667 9.2611 125.9970 50.2213 21.3799 175.0295 891 S 5.1324 9.3338 117.0776 57.0453 67.2130 173.5288 892 I 4.6162 7.8308 121.5330 58.6055 37.1141 174.4254 893 P 4.2795 0.0000 0.0000 65.7589 31.1368 177.5595 894 D 4.9123 8.2091 115.1590 55.3353 41.5051 177.9788 895 F 4.1158 8.5099 122.8358 61.1618 39.1373 176.8790 896 K 4.0743 8.2607 117.7143 59.4181 32.0110 178.2238 897 E 4.1396 8.1570 117.8576 59.4424 29.6330 178.3701 898 F 4.2654 7.7042 118.3871 60.2303 39.9228 175.1585 899 Y 3.7919 7.4869 120.5265 57.7754 39.3778 174.8251 900 T 4.5453 6.8739 121.8697 61.8562 72.7650 172.4762 901 E 4.7284 8.2939 122.6011 54.5900 32.2556 175.5109 902 S 4.5824 8.1935 116.7867 56.9890 66.2432 174.7510 903 D 4.5534 8.5798 119.5994 57.3573 40.8700 179.3258 904 V 3.5684 7.9081 118.1057 65.4874 31.8138 176.4404 905 N 4.8268 7.8026 115.4620 52.6168 37.5728 174.8028 906 K 3.6985 8.3042 114.8825 59.0892 30.5088 175.1068 907 E 3.5380 9.7147 111.7396 57.6729 27.6750 176.3353 908 G 4.0156 8.6736 105.4291 46.3056 0.0000 175.4077 909 L 4.0924 7.6683 121.0440 58.0675 41.8014 178.6220 910 E 4.1044 8.2190 118.2982 59.1722 29.3082 179.2747 911 C 4.5508 8.0328 116.7080 63.1003 28.4411 175.7795 912 L 4.2645 8.1089 120.0615 57.8240 41.0907 179.6638 913 R 3.9292 8.2298 118.9080 59.3094 30.0054 178.3527 914 L 4.0103 7.9127 119.9280 58.1387 42.0807 178.6246 915 L 3.6369 8.0777 120.2235 57.9605 41.7819 178.5348 916 N 4.2263 8.3331 117.1819 56.7438 38.9380 176.8213 917 E 3.9222 7.9190 119.5352 59.0776 29.4357 179.5571 918 I 3.3120 7.4119 120.0330 64.3402 37.2512 178.4569 919 I 3.4060 7.6278 120.6460 64.1419 36.8863 178.4685 920 A 4.0105 8.1271 121.9015 55.1879 18.0088 179.2068 921 D 4.4902 7.7584 115.4746 57.3793 41.3585 178.1646 922 F 4.4498 8.0530 118.6041 60.4031 38.8953 177.5362 923 D 4.6196 8.2972 118.6922 57.3960 40.4593 178.2843 924 D 4.5020 8.2247 119.5108 57.5433 40.7559 178.9575 925 L 4.1813 7.9268 119.3352 57.6020 41.3307 179.3587 926 L 4.3386 8.0532 118.2607 57.3338 41.6010 178.6019 927 S 4.5325 7.6664 113.0861 57.8427 63.5383 174.3018 928 K 4.3067 7.8745 123.4498 55.1402 32.6211 176.2262 929 P 4.2305 0.0000 0.0000 65.5637 31.4090 178.5765 930 K 3.9614 7.7944 115.3749 58.5933 33.0289 177.4261 931 F 5.2792 8.0662 118.8788 57.3937 39.1170 177.3071 932 S 4.3659 7.8897 116.2414 60.0730 62.8859 175.1628 933 G 3.7896 7.9407 108.9880 46.3859 0.0000 174.0044 934 V 3.6507 7.5477 120.9520 62.2475 32.0580 174.4930 935 E 4.4931 8.6304 128.5779 53.9106 31.6723 174.7607 936 K 4.0351 8.5616 129.4124 56.9533 32.3664 176.2043 937 I 4.1330 8.3996 129.4231 62.4792 38.2650 175.6480 938 K 4.2202 6.7749 118.3461 56.8328 35.3893 172.8229 939 T 4.9953 8.4927 109.8312 59.9651 71.1423 173.8510 940 I 4.2905 8.9735 126.6972 60.0154 39.6611 177.9025 941 G 3.9980 9.0072 118.5481 46.6684 0.0000 173.6776 942 S 4.6756 8.9681 116.6114 58.2023 64.4495 173.4154 943 T 5.0048 8.1984 117.5678 63.0542 71.2393 172.7984 944 Y 4.7607 9.4088 128.4653 56.4850 40.7545 173.6223 945 M 4.7422 8.3327 126.4019 53.5847 34.7813 174.1867 946 A 4.9696 8.4985 126.2766 50.4346 23.4939 174.3665 947 A 5.1382 8.7418 120.1343 50.3657 23.2666 175.2771 948 T 4.6671 9.1778 110.6966 60.7726 71.7374 174.9746 949 G 4.2097 9.0469 112.3195 45.8707 0.0000 174.2228 950 L 3.8390 7.8410 121.4323 56.1097 42.3857 178.1613 951 S 4.6036 8.0615 112.6657 58.6295 62.7425 173.5591 952 A 4.9095 7.3479 125.7262 50.7919 21.3858 177.1682 953 I 3.8258 8.3561 115.8593 64.5863 37.7180 177.6318 *964 R 4.3891 7.9218 117.8958 56.3178 31.8509 177.6624 965 Q 3.8543 8.1153 116.5187 59.1597 29.2773 176.5733 966 Y 4.9852 7.5656 113.4373 58.3222 38.1901 177.2064 967 M 4.2743 7.8255 121.2818 58.4315 32.2317 177.5368 968 H 4.4746 8.4710 114.6730 58.1579 28.8419 177.4978 969 I 3.7434 7.5979 122.9594 64.2432 36.9236 178.4609 970 G 3.7342 8.1197 106.1110 47.9366 0.0000 175.7751 971 T 4.0885 7.7679 118.0181 66.8710 68.6196 176.2311 972 M 4.0313 8.0312 119.9743 58.6689 32.1431 178.5285 973 V 3.5919 7.6522 118.3717 66.1747 31.8032 177.8184 974 E 4.3431 8.6741 118.3979 59.5617 29.2405 179.3340 975 F 3.1789 8.4470 120.5628 60.7230 39.4039 177.0032 976 A 3.7514 7.8238 120.2017 55.4564 18.1695 179.1546 977 Y 3.8751 7.9089 114.8958 61.0323 37.9468 178.6918 978 A 3.9393 7.8665 121.6286 55.2020 18.3492 179.6736 979 L 3.0027 7.2719 117.2721 57.4985 41.4845 179.7545 980 V 3.6046 7.5047 118.2751 66.0979 31.3393 178.2807 981 G 3.6172 8.0388 105.2365 47.7389 0.0000 175.8229 982 K 4.0353 7.9389 120.8088 59.2160 32.1171 179.2640 983 L 4.1399 8.4427 121.0095 58.2647 42.0399 178.7613 984 D 4.3840 8.4644 118.9306 57.1462 40.3364 178.5550 985 A 4.0044 7.8389 121.1175 55.0616 18.2780 179.7106 986 I 3.7308 7.7462 118.1519 64.6029 37.2177 178.1967 987 N 4.1846 8.0878 117.2382 56.2466 38.1762 176.9288 988 K 3.5732 7.4698 119.3544 60.0693 32.2508 177.7923 989 H 4.3089 7.5001 112.5413 56.8468 29.0527 176.7092 990 S 4.6669 8.0021 114.1317 56.9985 63.5422 173.7323 991 F 3.6555 7.2201 119.3728 58.9566 37.0243 174.0218 992 N 4.9749 7.7427 118.8075 52.3843 41.9291 173.4012 993 D 4.6294 7.2573 112.4491 53.4983 41.8695 174.8560 994 F 4.6982 8.4199 119.9763 56.8979 40.2804 175.8852 995 K 4.6877 8.0157 123.3322 54.5576 34.5398 175.3266 996 L 4.8249 7.7151 121.8177 53.7481 44.4061 175.0943 997 R 4.8378 9.0456 125.6496 54.5546 32.7341 174.2662 998 V 5.0136 8.6064 125.9401 61.0817 35.1954 174.4464 999 G 4.4682 9.1911 113.1044 44.6865 0.0000 171.3887 1000 I 5.3565 8.6004 125.6098 59.8133 41.0717 174.1496 1001 N 5.1841 9.0030 122.2171 53.0792 42.7712 172.6793 1002 H 5.3827 9.4608 117.8289 53.2463 32.2358 173.4869 1003 G 3.9404 7.8770 107.0306 44.7336 0.0000 169.2565 1004 P 5.1196 0.0000 0.0000 62.7083 31.8819 176.1279 1005 V 4.8081 8.4783 115.1015 59.7576 37.1250 173.9979 1006 I 5.0431 8.7652 121.0146 59.9475 39.7719 175.4167 1007 A 4.6042 9.7088 129.3944 49.8909 21.8029 177.0513 1008 G 4.3062 6.4462 105.7969 45.6859 0.0000 171.6077 1009 V 4.8427 8.0756 118.6392 61.3532 32.9826 174.9431 1010 I 4.7242 8.0214 124.1845 60.1425 41.3392 174.4459 1011 G 4.1145 8.8143 110.8320 45.8244 0.0000 173.7395 1012 A 4.2217 8.5021 123.9584 54.5631 19.4565 179.0636 1013 Q 3.9939 8.1047 113.4721 56.6406 28.2591 177.7077 1014 K 4.3558 8.2265 126.5134 54.1847 32.6337 173.0335 1015 P 4.5854 0.0000 0.0000 63.3598 32.0365 175.2416 1016 Q 4.6967 8.6461 122.7026 53.7816 32.7479 174.1316 1017 Y 4.6304 8.7870 125.2025 57.9671 39.5556 174.2560 1018 D 4.4685 8.8513 125.9328 52.1750 45.4131 173.7037 1019 I 4.2958 7.2862 114.7869 58.6107 40.3600 174.5000 1020 W 5.0178 9.8808 123.1153 54.9851 33.7532 173.7279 1021 G 4.5840 9.1622 106.0253 43.2347 0.0000 174.1835 1022 N 4.2781 8.8213 119.6889 57.0862 38.4880 177.0577 1023 T 3.8623 8.0355 116.4981 66.7983 68.4609 176.3333 1024 V 3.7843 7.8586 119.8537 65.7145 31.6220 177.8484 1025 N 4.2322 8.0973 115.8088 56.3067 38.4731 177.2171 1026 V 3.5253 7.9243 119.3210 66.0532 31.4626 177.7656 1027 A 4.0508 7.7532 120.1615 55.2710 18.1142 179.5340 1028 S 2.8910 7.7319 111.4746 61.3412 62.4157 176.7540 1029 R 4.3185 7.8204 121.9090 58.8178 29.4878 178.9226 1030 M 4.0860 7.8281 118.1612 58.2850 32.1606 177.9889 1031 D 4.4706 7.9197 118.7052 57.2986 41.6221 178.3566 1032 S 4.3793 8.3830 115.2343 60.8520 62.5445 175.4572 1033 T 4.5703 7.6453 110.5917 61.2170 69.2467 174.6624 1034 G 4.0486 8.4098 111.8071 45.2625 0.0000 172.9391 1035 V 4.4641 7.9312 117.1887 60.2449 34.1628 174.9682 1036 L 4.0030 8.2942 124.0275 56.2818 41.9233 176.5133 1037 D 4.4633 8.8636 120.4206 55.1123 39.4538 173.6577 1038 K 4.6161 7.5660 115.9948 54.6334 36.5838 175.4313 1039 I 4.6418 8.3348 124.1531 59.9532 39.2605 174.1097 1040 Q 5.1639 9.1024 129.6868 54.7280 30.7543 174.7916 1041 V 5.3417 9.0501 119.3750 58.3550 36.0731 175.4478 1042 T 4.4658 8.3360 113.1968 61.3509 70.1869 175.1102 1043 E 3.9658 9.0202 121.6489 59.6027 29.6416 178.5556 1044 E 3.8898 8.0601 117.9444 59.7831 29.6410 179.1887 1045 T 3.8842 7.4748 114.4341 66.6113 68.3534 176.4700 1046 S 4.0268 8.2191 115.2657 61.2710 62.1493 175.9745 1047 L 3.8431 7.5520 120.3304 58.0261 41.7119 179.3786 1048 I 3.7661 7.6149 119.2393 64.4838 37.0750 178.5681 1049 L 4.0777 7.8754 119.4739 57.7957 41.3060 179.6333 1050 Q 4.7570 8.2149 119.6116 58.3216 28.4777 178.4384 1051 T 4.0061 7.7462 110.0776 64.2183 68.8678 175.7854 1052 L 4.4563 7.7270 119.4888 54.6076 42.1621 177.1091 1053 G 4.0976 7.7938 107.6963 45.2394 0.0000 172.9629 1054 Y 4.9070 8.4323 117.4699 56.3961 40.8085 174.8369 1055 T 5.0089 8.5164 111.0622 60.4132 71.9633 172.8195 1056 C 5.5774 8.5949 119.1045 58.4925 32.6073 173.3850 1057 T 4.8104 8.8255 117.2055 61.6148 71.7935 173.0339 1058 C 3.7846 8.9066 126.7716 59.5042 31.4223 173.1818 1059 R 3.8229 8.1128 128.5259 58.7522 30.0528 175.9001 1060 G 3.7618 6.8817 108.1075 44.8340 0.0000 171.7583 1061 I 4.9575 7.8173 125.2431 59.5353 40.7719 175.2699 1062 I 4.5893 8.4478 124.5127 59.5909 41.4489 173.9473 1063 N 4.9494 8.8046 125.5146 52.7587 39.7504 174.1046 1064 V 4.0524 8.8478 127.8744 61.0332 33.2684 174.3116 1065 K 3.8899 8.7452 129.3204 60.4537 31.5601 175.9569 1066 G 4.0290 9.0805 115.6589 44.9097 0.0000 172.5334 1067 K 4.3374 7.6165 117.9205 55.1551 33.7946 177.5101 1068 G 3.8242 7.8448 106.3955 45.8082 0.0000 172.5277 1069 D 5.2081 8.4237 119.0811 54.3989 42.1628 176.0218 1070 L 4.4612 8.5250 118.9153 54.7394 44.0514 173.8194 1071 K 4.7161 8.6442 123.3317 56.1857 33.2220 175.6026 1072 T 4.8972 8.1860 116.0288 60.1759 72.7836 171.9817 1073 Y 4.9841 8.7089 118.0159 56.3871 43.0061 174.2666 1074 F 5.5811 9.0076 120.2718 55.8225 41.6933 175.6664 1075 V 4.2491 8.6262 123.3433 63.0638 32.1594 174.9586 1076 N 5.1460 8.8122 123.4121 52.0368 40.8414 175.4387 1077 T 4.2505 8.4094 116.7581 63.8786 69.1278 174.2848 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 4.88 0.00 3.70 3.57 0.00 5.46 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 0.00 880 Q 8.16 4.73 0.00 2.05 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.67 0.00 0.00 0.00 0.00 0.00 2.32 2.33 0.00 881 S 9.30 5.44 0.00 4.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 882 Y 9.12 4.87 0.00 2.89 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 0.00 883 D 9.00 4.81 0.00 2.72 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 0.00 884 C 7.86 4.88 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 0.00 885 V 8.86 4.54 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 0.80 0.00 0.00 0.79 0.00 0.00 886 C 8.91 4.73 0.00 2.95 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 0.00 887 V 8.63 4.66 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.86 0.00 0.00 888 M 8.84 5.28 0.00 1.99 1.79 0.00 0.00 0.00 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.52 0.00 889 F 9.20 5.26 0.00 3.09 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 0.00 890 A 9.26 5.27 1.23 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 0.00 0.00 0.00 891 S 9.33 5.13 0.00 3.90 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 0.00 892 I 7.83 4.62 1.78 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.86 0.83 0.00 0.00 893 P 0.00 4.28 0.00 2.11 2.19 0.00 3.87 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 2.08 2.18 0.00 894 D 8.21 4.91 0.00 3.09 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 8.51 4.12 0.00 2.96 3.05 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 0.00 896 K 8.26 4.07 0.00 1.90 1.92 0.00 1.88 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.50 1.60 7.81 897 E 8.16 4.14 0.00 2.23 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 2.37 2.45 0.00 898 F 7.70 4.27 0.00 3.11 3.05 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 0.00 899 Y 7.49 3.79 0.00 2.95 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 0.00 900 T 6.87 4.55 3.83 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 1.01 0.00 0.00 901 E 8.29 4.73 0.00 1.83 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 2.17 2.15 0.00 902 S 8.19 4.58 0.00 3.88 3.83 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 0.00 903 D 8.58 4.55 0.00 2.70 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 904 V 7.91 3.57 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 0.78 0.00 0.00 0.89 0.00 0.00 905 N 7.80 4.83 0.00 2.93 2.90 0.00 0.00 7.11 6.34 0.00 0.00 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 3.70 0.00 1.89 1.90 0.00 1.83 0.00 0.00 1.64 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.37 1.54 7.81 907 E 9.71 3.54 0.00 2.03 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 2.25 2.26 0.00 908 G 8.67 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 0.00 909 L 7.67 4.09 0.00 1.94 1.70 0.97 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 910 E 8.22 4.10 0.00 2.06 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.51 0.00 911 C 8.03 4.55 0.00 3.35 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 0.00 912 L 8.11 4.26 0.00 1.92 1.83 1.04 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 913 R 8.23 3.93 0.00 2.07 2.21 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 7.91 4.01 0.00 1.99 2.10 0.98 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 915 L 8.08 3.64 0.00 1.51 1.72 0.07 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 916 N 8.33 4.23 0.00 3.00 2.98 0.00 0.00 7.15 7.16 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0.00 0.00 0.00 1.11 0.99 0.93 0.00 0.00 1001 N 9.00 5.18 0.00 2.81 2.61 0.00 0.00 6.58 7.63 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 1002 H 9.46 5.38 0.00 3.12 3.14 0.00 5.74 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 7.88 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 0.00 0.00 0.00 1004 P 0.00 5.12 0.00 2.14 2.13 0.00 3.33 0.00 0.00 2.32 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 8.48 4.81 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.88 0.00 0.00 1006 I 8.77 5.04 2.12 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.81 1.09 0.00 0.00 1007 A 9.71 4.60 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 1008 G 6.45 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 0.00 0.00 0.00 0.00 1009 V 8.08 4.84 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 0.91 0.00 0.00 1.10 0.00 0.00 1010 I 8.02 4.72 2.43 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.37 1.12 0.00 0.00 1011 G 8.81 4.11 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 0.00 0.00 0.00 1012 A 8.50 4.22 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 8.10 3.99 0.00 2.07 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 7.10 0.00 0.00 0.00 0.00 0.00 2.38 2.31 0.00 1014 K 8.23 4.36 0.00 1.86 1.84 0.00 1.62 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.33 1.45 7.81 1015 P 0.00 4.59 0.00 2.00 2.14 0.00 3.69 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.18 0.00 1016 Q 8.65 4.70 0.00 1.99 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.09 0.00 0.00 0.00 0.00 0.00 2.35 2.57 0.00 1017 Y 8.79 4.63 0.00 2.86 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 8.85 4.47 0.00 2.39 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 7.29 4.30 1.59 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.58 0.41 0.00 0.00 1020 W 9.88 5.02 0.00 3.27 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 1021 G 9.16 4.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.82 4.28 0.00 2.78 2.85 0.00 0.00 6.91 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 8.04 3.86 4.32 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 1.23 0.00 0.00 1024 V 7.86 3.78 2.23 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 1.17 0.00 0.00 0.91 0.00 0.00 1025 N 8.10 4.23 0.00 2.76 2.82 0.00 0.00 6.76 7.68 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 1026 V 7.92 3.53 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 1.02 0.00 0.00 0.98 0.00 0.00 1027 A 7.75 4.05 1.62 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 0.00 0.00 1028 S 7.73 2.89 0.00 3.30 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 0.00 1029 R 7.82 4.32 0.00 1.92 1.91 0.00 3.28 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.62 0.00 1030 M 7.83 4.09 0.00 2.19 2.33 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.87 0.00 1031 D 7.92 4.47 0.00 2.82 2.79 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 1032 S 8.38 4.38 0.00 4.04 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 7.65 4.57 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 1.24 0.00 0.00 1034 G 8.41 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 0.00 0.00 0.00 1035 V 7.93 4.46 1.67 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 0.89 0.00 0.00 0.95 0.00 0.00 1036 L 8.29 4.00 0.00 1.66 1.59 0.95 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 1037 D 8.86 4.46 0.00 2.72 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 1038 K 7.57 4.62 0.00 1.59 1.34 0.00 1.36 0.00 0.00 1.51 0.00 0.00 2.85 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.25 0.82 7.81 1039 I 8.33 4.64 1.87 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.62 0.87 0.00 0.00 1040 Q 9.10 5.16 0.00 2.38 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.71 0.00 0.00 0.00 0.00 0.00 2.18 2.10 0.00 1041 V 9.05 5.34 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 0.86 0.00 0.00 0.95 0.00 0.00 1042 T 8.34 4.47 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 1.20 0.00 0.00 1043 E 9.02 3.97 0.00 2.27 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.42 0.00 1044 E 8.06 3.89 0.00 2.03 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 2.44 0.00 1045 T 7.47 3.88 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 1046 S 8.22 4.03 0.00 3.60 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1047 L 7.55 3.84 0.00 1.75 1.66 0.88 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 1048 I 7.61 3.77 1.76 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.53 0.67 0.00 0.00 1049 L 7.88 4.08 0.00 1.77 1.58 0.66 0.48 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 1050 Q 8.21 4.76 0.00 2.20 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.80 0.00 0.00 0.00 0.00 0.00 2.56 2.41 0.00 1051 T 7.75 4.01 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 1.34 0.00 0.00 1052 L 7.73 4.46 0.00 2.03 1.91 1.11 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 1053 G 7.79 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 0.00 0.00 0.00 1054 Y 8.43 4.91 0.00 3.02 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 1055 T 8.52 5.01 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 8.59 5.58 0.00 2.77 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 1057 T 8.83 4.81 4.43 0.00 0.00 0.00 0.00 0.00 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 8.91 3.78 0.00 2.89 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 1059 R 8.11 3.82 0.00 0.67 1.49 0.00 3.36 0.00 0.00 3.07 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.50 0.00 1060 G 6.88 3.76 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 0.00 0.00 0.00 1061 I 7.82 4.96 1.82 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 1.30 0.53 0.90 0.00 0.00 1062 I 8.45 4.59 1.81 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 1.07 0.64 0.87 0.00 0.00 1063 N 8.80 4.95 0.00 2.85 2.72 0.00 0.00 6.99 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 8.85 4.05 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.90 0.00 0.00 1065 K 8.75 3.89 0.00 1.73 1.75 0.00 1.78 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.44 7.81 1066 G 9.08 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 0.00 0.00 0.00 1067 K 7.62 4.34 0.00 1.69 1.76 0.00 1.98 0.00 0.00 1.69 0.00 0.00 2.85 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.32 1.33 7.81 1068 G 7.84 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 1069 D 8.42 5.21 0.00 2.56 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 8.53 4.46 0.00 1.69 1.69 0.88 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 1071 K 8.64 4.72 0.00 1.74 1.74 0.00 1.80 0.00 0.00 1.69 0.00 0.00 2.73 0.00 0.00 3.02 0.00 0.00 0.00 0.00 0.96 1.33 7.81 1072 T 8.19 4.90 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 1.10 0.00 0.00 1073 Y 8.71 4.98 0.00 2.87 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 1074 F 9.01 5.58 0.00 3.01 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 1075 V 8.63 4.25 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.92 0.00 0.00 1076 N 8.81 5.15 0.00 2.76 2.80 0.00 0.00 6.78 7.31 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 1077 T 8.41 4.25 4.34 0.00 0.00 0.00 0.00 0.00 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 * Residues marked with a * may have inaccurate shift predictions.