NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 879 H 4.8626 8.4293 116.3215 55.6228 29.9657 171.6304 880 Q 4.7056 8.2918 117.4436 53.0790 32.5216 172.0230 881 S 5.5067 9.5373 115.3768 57.2667 66.0752 174.0093 882 Y 4.8454 9.2797 118.4477 56.6106 41.1397 176.5124 883 D 4.5810 8.9122 120.5708 56.9849 41.7735 177.1907 884 C 4.9222 7.6945 117.2557 58.7581 32.4914 173.2466 885 V 4.4196 8.8443 124.8768 61.4890 34.3721 173.6847 886 C 5.2489 8.8422 122.3661 57.6006 34.3293 172.5781 887 V 4.8256 9.1501 126.6003 61.3166 34.3595 173.9587 888 M 5.2927 8.9079 126.1349 53.9294 35.6786 173.5244 889 F 5.1808 9.4269 124.6102 55.7823 42.2637 174.5535 890 A 5.6726 9.4317 125.0897 49.5049 20.7838 174.9804 891 S 5.0068 8.6188 114.2306 57.8590 66.3838 173.8804 892 I 4.6001 7.9010 122.0513 59.1432 37.7103 174.9303 893 P 4.2264 0.0000 0.0000 66.3613 31.9167 179.6435 894 D 4.5663 7.9001 117.3170 57.1913 41.3814 179.2655 895 F 3.9584 8.0931 120.8461 60.6863 38.9656 177.1438 896 K 4.0343 8.2738 119.3968 59.5526 32.1422 178.4311 897 E 4.1482 8.1679 115.8542 58.9692 29.6652 178.4667 898 F 4.3373 7.7416 120.8832 60.2685 39.8436 175.0910 899 Y 3.5969 7.3845 118.9971 58.0795 38.7329 175.5322 900 T 4.3716 6.9333 121.8055 62.0353 72.7308 172.2792 901 E 4.6690 8.0957 125.1850 54.7035 31.4925 175.6632 902 S 4.5292 8.5154 114.1497 57.4406 65.0351 176.3168 903 D 4.5037 8.6567 123.2590 57.9399 40.9581 179.7322 904 V 3.5760 7.9100 117.1365 65.7439 31.3472 176.6103 905 N 4.7399 7.9554 115.8958 52.3747 38.0305 174.9701 906 K 3.5811 8.0734 114.1531 59.6979 30.4515 175.0352 907 E 3.7007 9.1493 111.5020 57.6002 27.8868 176.7116 908 G 3.5869 10.0510 105.3229 45.2673 0.0000 175.3297 909 L 4.0189 7.9001 122.2969 58.1760 41.9589 178.5216 910 E 4.2245 7.6491 115.6429 58.9168 29.5687 178.3746 911 C 4.5183 8.0407 117.7594 61.7121 28.2367 175.3890 912 L 4.1451 8.2613 120.3660 58.3604 41.5451 179.7756 913 R 3.9904 8.2782 118.4699 59.3991 29.8446 178.4124 914 L 4.0408 8.5899 120.4433 58.0849 42.1920 178.2951 915 L 3.7112 8.3483 119.8894 58.4495 41.7628 177.7959 916 N 4.1750 9.7197 116.5454 57.0520 38.2660 176.0598 917 E 3.9319 8.1492 118.7900 60.5275 29.6751 179.0775 918 I 3.3532 8.1285 118.2347 64.9505 37.0116 177.8602 919 I 3.6070 8.1126 119.5742 64.7544 37.3198 178.2103 920 A 4.0360 8.3853 121.4571 55.5000 18.0568 179.2503 921 D 4.4297 9.0226 116.3607 57.8881 41.0228 179.0794 922 F 4.1987 9.0139 117.6178 60.1882 38.7186 177.2080 923 D 4.8710 8.5012 120.5189 56.4586 40.5312 178.1268 924 D 4.5844 8.3259 119.2193 56.6442 40.4565 178.9174 925 L 4.0224 7.6938 118.9248 58.0512 41.5792 179.2495 926 L 4.0532 8.0560 116.8742 57.7744 41.7471 178.2830 927 S 4.6280 7.5169 112.1595 58.1886 62.8814 174.2629 928 K 4.4372 9.9930 121.2297 55.1045 32.8736 175.1693 929 P 4.4872 0.0000 0.0000 65.3086 31.7693 177.8592 930 K 4.1746 7.7389 114.6485 57.4785 32.8047 176.8303 931 F 5.3844 7.7789 116.8055 57.1286 40.7900 176.5777 932 S 4.2606 8.0800 116.6202 60.9990 62.7202 174.7737 933 G 4.0447 7.9828 108.8538 45.7076 0.0000 173.1567 934 V 4.1869 7.4942 119.1078 60.3689 33.8679 173.9443 935 E 4.4561 8.5449 128.4220 54.5418 31.4148 174.4107 936 K 4.1040 8.4638 128.4287 56.2814 32.5359 175.2966 937 I 4.1509 8.2443 130.3531 61.9808 36.8958 176.5112 938 K 4.6152 7.3314 118.8495 56.1078 36.8501 174.2521 939 T 4.8604 8.1766 109.9332 59.8149 71.5876 173.4413 940 I 4.3916 8.3205 125.1651 60.5655 40.3505 176.4804 941 G 3.8075 8.2379 115.2686 46.8866 0.0000 175.4618 942 S 4.6046 8.4309 116.6596 56.7716 61.6136 172.9035 943 T 4.9147 8.0217 116.6979 62.7980 73.1334 174.3015 944 Y 4.2753 8.9357 129.1263 57.2264 40.3681 173.5359 945 M 4.5973 8.2147 126.5046 53.7072 34.7802 174.4455 946 A 5.0739 8.4370 126.0332 51.3354 23.8726 174.0067 947 A 5.6514 8.6931 118.7258 52.3096 23.1885 175.6540 948 T 4.7004 8.1769 108.5446 60.4313 72.7286 174.2091 949 G 3.6366 8.9129 109.1874 46.7671 0.0000 173.7751 950 L 4.7823 7.9610 116.5057 54.4535 41.6488 177.0054 951 S 4.7485 7.9699 113.7989 58.4699 63.8963 173.0360 952 A 4.9099 7.9193 123.1037 50.2826 21.8874 176.6162 953 I 3.8695 8.1276 117.1877 63.9773 39.0655 177.6755 *964 R 4.3629 7.9401 116.3406 56.1477 30.2848 176.9155 965 Q 4.2706 9.1226 115.1137 56.7757 29.8007 175.8059 966 Y 4.8939 7.3504 116.6735 57.9250 38.8337 177.4463 967 M 4.1809 8.2732 122.2205 58.9445 32.3087 176.8605 968 H 4.4007 8.4333 115.0408 58.3407 28.3110 177.5200 969 I 3.7176 7.3562 122.7133 64.3738 36.9715 178.6047 970 G 3.8417 8.1535 105.9721 47.9912 0.0000 175.5655 971 T 4.0958 7.9226 117.7405 66.9119 68.4538 176.0237 972 M 3.9130 8.0806 119.9099 58.7153 32.0660 178.5229 973 V 3.4779 7.5143 117.3973 66.1242 31.8811 177.6401 974 E 4.2987 9.0457 118.7234 59.6874 29.3027 179.3744 975 F 3.1235 9.1975 120.6424 60.8937 39.3401 176.8003 976 A 3.8587 8.3097 120.7863 55.4825 18.0439 179.0001 977 Y 3.9980 8.1459 115.0364 61.4438 38.0987 178.9416 978 A 3.9109 7.8927 121.0487 55.0064 18.3451 179.6307 979 L 2.7219 7.3499 117.4746 57.5264 41.5689 179.8294 980 V 3.6084 7.2780 117.8522 66.0058 31.3485 178.0003 981 G 3.7562 8.1322 105.4906 48.1030 0.0000 175.6430 982 K 4.0514 7.7301 120.2550 58.7022 32.0302 179.3320 983 L 4.2197 8.0085 121.0263 58.2844 41.9593 178.6483 984 D 4.4578 8.6531 119.0794 57.1587 40.7305 178.7680 985 A 3.9567 7.7166 121.6338 55.0278 18.3167 179.7281 986 I 3.6952 7.7327 117.9078 64.7542 37.1440 178.1306 987 N 3.9547 8.4200 117.7116 56.4462 38.1486 177.1064 988 K 3.6494 7.3702 119.5901 59.6897 32.3665 177.9610 989 H 4.2938 7.3235 113.4194 56.7266 29.1555 176.6997 990 S 4.4922 7.9526 114.3180 57.0678 64.2763 173.5409 991 F 3.6698 7.5162 119.6433 59.0463 35.7273 173.6679 992 N 4.8272 7.6100 115.5759 51.6141 43.0209 174.8087 993 D 4.8805 7.8982 116.8723 52.9824 40.9235 175.7988 994 F 5.0054 8.4316 119.5771 57.3681 40.1594 175.8624 995 K 4.6586 9.1636 123.9855 54.3369 35.0890 175.9014 996 L 4.4724 8.4376 125.5123 54.8072 43.9332 175.1723 997 R 4.8056 9.0677 125.9872 54.6511 32.6157 174.3279 998 V 4.9921 8.2432 125.2905 61.1784 34.8249 174.6658 999 G 4.5595 9.2528 113.1176 44.8061 0.0000 171.3533 1000 I 5.2687 8.4503 126.1018 59.6476 40.7984 174.2641 1001 N 5.2914 9.2889 123.3909 51.9613 42.8782 172.4900 1002 H 5.3129 9.4114 118.5896 53.7301 32.5639 171.7945 1003 G 4.0022 8.4271 104.4495 42.2490 0.0000 171.0246 1004 P 5.3850 0.0000 0.0000 62.8934 31.8669 176.0507 1005 V 4.7715 8.4172 113.8493 59.9976 37.1205 173.8872 1006 I 4.8757 9.1923 122.1710 59.9167 39.5087 176.1861 1007 A 4.3880 8.8730 130.6796 50.2756 21.0802 173.4887 1008 G 3.7667 6.6263 100.7318 44.3260 0.0000 173.2377 1009 V 4.9877 8.2404 117.3360 60.1864 34.4642 175.5896 1010 I 4.5807 8.1683 123.0119 60.4451 41.1398 174.6423 1011 G 3.9961 9.0165 112.9344 46.2172 0.0000 173.4210 1012 A 4.2625 8.3598 125.5315 54.5219 19.4820 178.9478 1013 Q 4.0592 8.1459 113.9098 58.4765 28.8049 177.5376 1014 K 4.3073 7.6672 122.6931 54.2058 32.8334 172.5377 1015 P 4.5898 0.0000 0.0000 62.5329 32.0745 175.7088 1016 Q 4.6926 8.6365 122.1099 53.8850 32.8857 173.9341 1017 Y 4.1314 8.7415 125.0522 57.8197 39.6513 174.0171 1018 D 4.6817 8.5415 125.5871 52.4613 45.7600 173.4393 1019 I 4.6185 7.3107 113.2700 58.6474 40.3251 174.6599 1020 W 4.7503 10.9448 124.4960 54.5423 32.9681 174.6974 1021 G 4.6366 8.8119 107.9870 43.3542 0.0000 173.9435 1022 N 4.6828 8.4788 119.5950 56.4823 38.8512 176.5425 1023 T 4.2893 8.0351 118.0007 66.2235 68.6250 176.3402 1024 V 3.7381 7.6097 119.7693 65.9331 31.5234 177.7176 1025 N 4.3611 8.0914 115.9650 55.2306 37.3671 177.4051 1026 V 3.5254 7.8216 121.0338 65.7810 31.4776 177.7225 1027 A 4.0187 8.0480 120.6254 55.3409 18.2870 179.4704 1028 S 2.7900 7.6515 111.1244 61.0867 62.2064 176.4628 1029 R 4.3636 7.5772 121.6110 57.9530 29.7971 178.0308 1030 M 4.3473 8.1052 116.8860 56.6415 32.1374 176.4111 1031 D 4.7487 7.3811 117.4587 56.0923 42.7965 177.9102 1032 S 4.1604 8.0030 114.8778 60.6422 63.1697 175.0652 1033 T 4.9289 7.6973 112.0802 60.8283 68.5052 173.2485 1034 G 4.2456 7.8341 111.1861 44.8587 0.0000 172.5909 1035 V 4.3700 7.8375 116.9277 60.4633 34.3557 175.0501 1036 L 4.3084 8.3519 126.6879 56.4970 41.9298 177.5334 1037 D 4.7110 9.0129 121.1821 54.2505 39.8439 174.2422 1038 K 4.6086 7.5100 117.7352 54.3993 36.0531 175.2322 1039 I 4.4948 8.0865 123.0081 59.7875 39.3637 174.5953 1040 Q 4.8251 8.9585 130.2494 55.4313 29.8927 174.9510 1041 V 5.1262 9.4309 121.0340 58.6622 35.3297 176.0703 1042 T 4.4664 8.3029 112.6119 61.0597 69.9976 175.2156 1043 E 3.6057 8.9598 122.3658 59.4715 29.3305 178.5092 1044 E 3.9022 8.2018 117.9335 60.0711 29.1105 179.4949 1045 T 3.8484 7.6109 115.1411 66.5297 68.4297 176.7062 1046 S 4.0019 8.3421 115.4548 61.2818 62.1377 176.0874 1047 L 3.8817 7.8228 120.8875 57.8962 41.7274 179.4337 1048 I 3.7640 7.2506 118.1700 64.3614 37.0890 178.4205 1049 L 4.2155 7.6859 119.5549 57.9802 40.8524 179.7646 1050 Q 4.8540 8.2254 119.3637 58.6113 28.4924 178.3259 1051 T 4.1063 7.6784 108.4762 63.3604 69.1060 175.5634 1052 L 4.5141 7.7307 120.0844 53.8609 42.7125 176.1147 1053 G 3.7348 7.1289 105.0601 45.2910 0.0000 173.6717 1054 Y 4.7443 8.6272 120.0542 57.5819 39.4920 175.0121 1055 T 4.8846 8.6570 113.4796 60.8357 71.5758 173.1466 1056 C 5.5214 8.5377 119.0194 58.6388 32.9006 173.3508 1057 T 4.8403 9.0076 116.0950 61.9662 72.5866 172.9657 1058 C 3.7048 8.6047 125.8336 58.8818 31.5660 173.3696 1059 R 3.5900 7.7167 127.7359 58.9930 30.1284 175.4415 1060 G 3.7199 7.3090 105.5969 44.2932 0.0000 173.6504 1061 I 4.7257 8.1988 127.4620 59.7337 39.0302 175.1610 1062 I 4.2777 8.5030 129.1562 59.7752 39.1893 174.9723 1063 N 4.8772 8.6853 125.6681 53.1684 39.4054 175.0532 1064 V 4.0002 9.1418 129.0403 60.7798 31.5962 173.4551 1065 K 4.0585 8.2364 126.1879 58.4246 32.0569 174.3711 1066 G 4.1440 9.2093 114.7246 45.2527 0.0000 173.3858 1067 K 4.2833 8.3166 117.9182 55.5891 33.7371 176.7737 1068 G 3.7814 7.9878 104.4996 44.8824 0.0000 171.0648 1069 D 5.0697 8.3942 120.5822 53.8197 41.5969 176.2222 1070 L 4.8604 9.2188 123.7615 52.4842 45.5947 175.9249 1071 K 4.6723 8.6854 124.2237 56.5290 33.2106 175.7670 1072 T 5.0349 8.4862 116.0011 60.3624 72.8615 172.0320 1073 Y 4.8475 8.8917 118.2957 56.5819 42.8018 174.4104 1074 F 5.5415 9.0979 121.7059 56.3236 41.3978 175.3360 1075 V 4.3164 8.3188 122.4047 62.5484 32.2958 175.1737 1076 N 5.0025 8.8191 124.2751 52.4249 40.3360 175.5469 1077 T 4.3053 8.4069 116.9701 63.8757 69.0576 174.3656 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 4.86 0.00 3.49 3.36 0.00 5.46 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 880 Q 8.29 4.71 0.00 2.21 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.53 2.68 0.00 881 S 9.54 5.51 0.00 4.10 3.97 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 0.00 882 Y 9.28 4.85 0.00 2.86 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 0.00 883 D 8.91 4.58 0.00 2.71 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 7.69 4.92 0.00 3.10 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 0.00 885 V 8.84 4.42 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 0.89 0.00 0.00 0.92 0.00 0.00 886 C 8.84 5.25 0.00 3.08 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 887 V 9.15 4.83 2.14 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 0.93 0.00 0.00 0.91 0.00 0.00 888 M 8.91 5.29 0.00 2.01 1.80 0.00 0.00 0.00 0.00 0.00 2.31 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 9.43 5.18 0.00 3.03 3.10 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 0.00 890 A 9.43 5.67 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 0.00 891 S 8.62 5.01 0.00 3.91 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 892 I 7.90 4.60 1.68 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.13 0.79 0.00 0.00 893 P 0.00 4.23 0.00 2.20 2.12 0.00 3.77 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.14 0.00 894 D 7.90 4.57 0.00 2.70 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 0.00 895 F 8.09 3.96 0.00 2.72 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 0.00 896 K 8.27 4.03 0.00 1.84 1.88 0.00 1.88 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.47 7.81 897 E 8.17 4.15 0.00 2.21 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 0.00 2.44 2.54 0.00 898 F 7.74 4.34 0.00 3.05 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 0.00 899 Y 7.38 3.60 0.00 2.75 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 0.00 900 T 6.93 4.37 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 1.07 0.00 0.00 901 E 8.10 4.67 0.00 1.90 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 2.11 2.38 0.00 902 S 8.52 4.53 0.00 3.87 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 903 D 8.66 4.50 0.00 2.73 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 0.00 904 V 7.91 3.58 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 0.90 0.00 0.00 905 N 7.96 4.74 0.00 2.83 2.89 0.00 0.00 7.19 8.25 0.00 0.00 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 8.07 3.58 0.00 1.99 1.86 0.00 1.91 0.00 0.00 1.67 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.37 1.37 7.81 907 E 9.15 3.70 0.00 2.05 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 0.00 2.26 2.25 0.00 908 G 10.05 3.59 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 0.00 0.00 0.00 909 L 7.90 4.02 0.00 1.90 1.71 0.96 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 910 E 7.65 4.22 0.00 1.98 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 2.46 2.49 0.00 911 C 8.04 4.52 0.00 3.26 3.07 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 0.00 912 L 8.26 4.15 0.00 1.92 1.85 1.05 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 913 R 8.28 3.99 0.00 2.10 2.15 0.00 3.14 0.00 0.00 3.14 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.70 0.00 914 L 8.59 4.04 0.00 1.98 2.14 1.01 0.63 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 0.00 915 L 8.35 3.71 0.00 1.58 1.79 0.47 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 916 N 9.72 4.17 0.00 2.99 3.01 0.00 0.00 7.20 7.53 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0.00 0.00 0.00 1.12 0.98 0.97 0.00 0.00 1001 N 9.29 5.29 0.00 2.81 2.63 0.00 0.00 6.59 7.92 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 1002 H 9.41 5.31 0.00 3.37 3.23 0.00 5.57 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 8.43 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 5.39 0.00 2.14 2.13 0.00 3.32 0.00 0.00 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.88 0.00 1005 V 8.42 4.77 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 0.76 0.00 0.00 0.83 0.00 0.00 1006 I 9.19 4.88 1.99 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.87 0.86 0.00 0.00 1007 A 8.87 4.39 1.16 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 0.00 0.00 0.00 0.00 0.00 0.00 1008 G 6.63 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1009 V 8.24 4.99 2.14 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 1.10 0.00 0.00 1.00 0.00 0.00 1010 I 8.17 4.58 2.08 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.22 1.22 0.00 0.00 1011 G 9.02 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.36 4.26 1.29 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 1013 Q 8.15 4.06 0.00 2.07 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.90 0.00 0.00 0.00 0.00 0.00 2.37 2.30 0.00 1014 K 7.67 4.31 0.00 1.67 1.69 0.00 1.82 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.34 1.47 7.81 1015 P 0.00 4.59 0.00 2.01 2.06 0.00 3.74 0.00 0.00 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.17 0.00 1016 Q 8.64 4.69 0.00 1.98 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.10 0.00 0.00 0.00 0.00 0.00 2.34 2.46 0.00 1017 Y 8.74 4.13 0.00 2.99 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 1018 D 8.54 4.68 0.00 2.32 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 7.31 4.62 1.72 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 1.12 0.59 0.74 0.00 0.00 1020 W 10.94 4.75 0.00 3.23 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 1021 G 8.81 4.64 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 0.00 1022 N 8.48 4.68 0.00 2.79 2.84 0.00 0.00 7.65 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 4.29 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 1.31 0.00 0.00 1024 V 7.61 3.74 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 1.19 0.00 0.00 0.98 0.00 0.00 1025 N 8.09 4.36 0.00 2.90 3.04 0.00 0.00 5.88 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 7.82 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 1.09 0.00 0.00 1.03 0.00 0.00 1027 A 8.05 4.02 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1028 S 7.65 2.79 0.00 2.72 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 1029 R 7.58 4.36 0.00 2.05 1.90 0.00 3.28 0.00 0.00 3.20 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 1030 M 8.11 4.35 0.00 2.27 2.29 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.86 0.00 1031 D 7.38 4.75 0.00 2.96 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 8.00 4.16 0.00 4.07 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 1033 T 7.70 4.93 4.25 0.00 0.00 0.00 0.00 0.00 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 1034 G 7.83 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.84 4.37 1.57 0.00 0.00 0.00 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 0.95 0.00 0.00 1036 L 8.35 4.31 0.00 1.65 1.60 0.94 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 1037 D 9.01 4.71 0.00 2.76 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 1038 K 7.51 4.61 0.00 1.38 1.36 0.00 1.52 0.00 0.00 1.54 0.00 0.00 2.81 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.29 1.00 7.81 1039 I 8.09 4.49 1.74 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.70 0.85 0.00 0.00 1040 Q 8.96 4.83 0.00 2.41 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.70 0.00 0.00 0.00 0.00 0.00 2.29 2.40 0.00 1041 V 9.43 5.13 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 0.91 0.00 0.00 1.03 0.00 0.00 1042 T 8.30 4.47 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 1.23 0.00 0.00 1043 E 8.96 3.61 0.00 2.22 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 2.29 2.22 0.00 1044 E 8.20 3.90 0.00 2.13 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 2.40 2.47 0.00 1045 T 7.61 3.85 4.36 0.00 0.00 0.00 0.00 0.00 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 1046 S 8.34 4.00 0.00 3.55 3.51 0.00 0.00 0.00 0.00 0.00 0.00 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 7.82 3.88 0.00 1.65 1.63 0.86 0.66 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 7.25 3.76 1.68 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 1.02 0.66 0.00 0.00 1049 L 7.69 4.22 0.00 1.84 1.96 0.82 1.47 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 1050 Q 8.23 4.85 0.00 2.28 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.84 0.00 0.00 0.00 0.00 0.00 2.39 2.34 0.00 1051 T 7.68 4.11 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 1.27 0.00 0.00 1052 L 7.73 4.51 0.00 1.83 1.76 1.10 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 1053 G 7.13 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 0.00 0.00 0.00 1054 Y 8.63 4.74 0.00 3.04 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 1055 T 8.66 4.88 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 1.26 0.00 0.00 1056 C 8.54 5.52 0.00 2.86 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 9.01 4.84 4.39 0.00 0.00 0.00 0.00 0.00 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 1058 C 8.60 3.70 0.00 2.58 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 1059 R 7.72 3.59 0.00 0.67 1.36 0.00 3.26 0.00 0.00 3.04 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.44 0.00 1060 G 7.31 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.20 4.73 1.83 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 1.28 0.93 0.92 0.00 0.00 1062 I 8.50 4.28 1.82 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 1.06 1.09 0.89 0.00 0.00 1063 N 8.69 4.88 0.00 2.84 2.73 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 9.14 4.00 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 0.92 0.00 0.00 0.91 0.00 0.00 1065 K 8.24 4.06 0.00 1.74 1.73 0.00 1.78 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.48 7.81 1066 G 9.21 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 0.00 0.00 0.00 0.00 1067 K 8.32 4.28 0.00 1.68 1.79 0.00 1.91 0.00 0.00 1.70 0.00 0.00 2.87 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.35 1.35 7.81 1068 G 7.99 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 1069 D 8.39 5.07 0.00 2.56 2.61 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 0.00 0.00 0.00 1070 L 9.22 4.86 0.00 1.49 1.51 0.92 1.05 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 1071 K 8.69 4.67 0.00 1.77 1.77 0.00 1.84 0.00 0.00 1.67 0.00 0.00 2.87 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.15 1.37 7.81 1072 T 8.49 5.03 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 8.89 4.85 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 1074 F 9.10 5.54 0.00 2.98 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1075 V 8.32 4.32 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 0.66 0.00 0.00 0.87 0.00 0.00 1076 N 8.82 5.00 0.00 2.87 2.81 0.00 0.00 6.82 6.87 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 1077 T 8.41 4.31 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 1.24 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.