NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 879 H 5.7884 8.3916 117.6268 56.1651 29.8319 171.6442 880 Q 4.3039 8.6384 125.2811 54.1804 30.8289 172.4325 881 S 5.1074 9.4249 121.8889 57.7173 63.7274 172.1417 882 Y 4.7202 9.1253 123.7876 56.7719 41.0827 175.9355 883 D 4.5985 8.9892 119.2951 55.4945 42.6600 176.2835 884 C 4.8797 8.0701 119.6738 57.5322 33.6050 173.0434 885 V 4.6202 8.7691 126.0281 61.0838 35.1047 173.6550 886 C 5.0884 8.9581 128.0496 58.0587 32.9904 172.5451 887 V 4.6869 8.7431 127.3735 61.9736 33.5776 174.3102 888 M 5.3340 8.7481 124.7715 53.9878 36.3319 173.7029 889 F 4.9148 9.4045 123.5589 55.8312 42.4179 174.0806 890 A 5.0047 9.1812 127.5660 50.6017 20.5943 175.5956 891 S 4.9564 8.9450 118.1967 57.7309 66.0104 174.0157 892 I 5.0396 7.4536 118.7938 58.4939 36.0281 174.4527 893 P 4.5027 0.0000 0.0000 65.7109 31.5985 177.5760 894 D 4.7244 8.2307 115.9654 55.6640 41.6763 178.1071 895 F 4.2649 9.0008 122.6910 61.2149 39.1529 176.5114 896 K 3.9048 8.4169 117.6101 59.9427 31.8376 177.6564 897 E 4.1218 8.1589 117.9641 59.1700 29.8055 178.1039 898 F 4.3360 7.7669 119.3139 59.7844 39.5500 174.6872 899 Y 3.8267 7.2552 120.6795 57.2160 39.0107 174.4899 900 T 4.2906 7.2852 115.7323 59.5957 72.0966 172.4514 901 E 4.3793 8.1667 121.7115 53.9736 30.1870 174.0487 902 S 4.7786 8.0317 119.1856 55.7771 66.4930 175.1333 903 D 3.8943 8.4894 119.5207 57.1453 40.8472 178.7097 904 V 3.6816 7.8493 118.9635 65.9601 31.8747 176.8662 905 N 4.6515 8.2875 115.9276 52.2171 37.4267 175.1173 906 K 3.6517 8.3353 115.9401 58.4289 30.0604 175.0253 907 E 3.7255 9.7836 111.2760 57.7080 27.6449 176.5172 908 G 3.8244 9.5200 106.5734 45.5549 0.0000 176.0282 909 L 4.0438 7.8195 122.6904 58.1708 41.9538 178.8192 910 E 4.1109 8.2868 118.5271 59.5177 29.3294 179.2014 911 C 4.6378 8.1103 116.6043 62.8554 28.2890 175.8347 912 L 4.3187 8.1551 120.3144 57.4427 41.1545 179.4684 913 R 3.9310 8.0587 119.2927 59.1321 29.9122 178.3144 914 L 4.0259 7.8579 118.9841 58.0445 42.0907 178.6343 915 L 3.5641 8.0756 120.3407 57.9203 41.8934 178.4204 916 N 4.1960 8.4343 117.3396 56.6607 38.8616 176.6817 917 E 3.9000 8.0789 119.9013 59.3762 29.5682 179.3524 918 I 3.2851 7.6650 119.7924 64.4771 37.1719 178.6674 919 I 3.5155 7.6598 120.4344 63.9205 36.9269 178.5365 920 A 3.9621 7.8447 121.7492 55.4476 18.1233 179.3265 921 D 4.4087 8.1252 116.2133 57.5194 41.1019 179.0316 922 F 4.4854 7.8601 117.8290 60.4503 38.8077 177.6953 923 D 4.6931 8.5018 118.2899 57.2808 40.4421 178.4101 924 D 4.5001 8.1868 118.9287 56.7746 40.6864 178.5479 925 L 4.1690 8.0369 120.0720 57.5909 41.3604 179.0722 926 L 4.1246 7.6773 118.0128 57.7946 41.5944 179.1578 927 S 4.4746 7.7937 113.6944 58.9628 63.4107 174.7847 928 K 4.1837 8.1515 123.4794 55.6161 32.6803 175.8773 929 P 4.2923 0.0000 0.0000 65.6384 31.3575 178.4223 930 K 3.9700 7.8335 114.9094 58.6061 32.6342 177.2314 931 F 5.0762 8.2648 118.5732 57.2019 39.3715 177.2397 932 S 4.1645 8.0571 116.9375 60.6445 62.9537 175.3641 933 G 3.8119 7.9939 108.9085 45.6323 0.0000 173.0526 934 V 3.7845 7.7502 121.3148 61.7883 32.3216 174.6937 935 E 4.5286 8.8495 127.5354 54.2375 31.4737 175.2361 936 K 4.2418 8.5543 127.2807 56.6798 32.3119 176.4985 937 I 3.9773 8.3400 129.8427 62.5196 37.4321 176.2984 938 K 4.0807 6.9485 117.8055 56.9074 35.6190 172.8290 939 T 4.3889 8.3600 116.6675 61.9445 70.4583 174.8459 940 I 4.1311 8.6322 129.6279 60.3045 38.4733 178.1651 941 G 3.9049 8.6476 118.9250 46.8691 0.0000 173.2245 942 S 4.5838 8.9901 117.4661 57.9212 64.6922 172.2901 943 T 4.9423 8.3315 118.1467 62.6889 70.6737 172.8618 944 Y 4.6490 9.1417 128.4007 56.4648 40.5991 173.6004 945 M 4.7176 8.2792 127.1018 53.7694 34.4650 174.5430 946 A 5.0995 8.5093 126.1331 50.9550 23.7970 174.1460 947 A 5.6951 8.9134 119.1356 51.1507 23.2548 175.5896 948 T 5.0231 8.0057 108.7263 59.9619 71.9217 174.8503 949 G 3.9547 9.0548 110.2947 45.6269 0.0000 174.7657 950 L 3.9917 7.6433 117.7147 55.4870 41.4621 177.4233 951 S 4.5932 7.9454 113.7871 58.4869 63.9995 173.9884 952 A 4.5507 7.3808 123.8455 51.0521 21.2247 176.7604 *964 R 4.1607 8.1543 108.1606 56.7955 30.8377 174.6039 965 Q 4.2609 7.6605 118.9909 58.3274 30.6861 177.8746 966 Y 4.4874 7.5893 113.3022 58.8111 38.2043 177.0282 967 M 4.1804 8.2272 119.4429 58.4955 31.0274 177.9670 968 H 4.3229 8.1570 116.1236 58.7532 28.5163 177.4994 969 I 3.8938 7.7241 122.5607 64.0112 36.8046 178.5952 970 G 3.8063 7.9650 106.3003 48.0051 0.0000 175.8663 971 T 4.1138 8.1216 118.0188 66.5432 68.3878 176.5043 972 M 4.0942 7.9079 120.0241 58.5886 32.3099 178.4835 973 V 3.4015 7.4579 117.1740 65.7893 31.6154 177.9264 974 E 4.2614 8.1144 118.1633 59.1188 29.2532 178.9806 975 F 3.7974 8.2442 120.5490 60.7987 39.4923 177.2539 976 A 3.7169 7.8401 120.5423 55.1742 18.0064 179.2630 977 Y 4.3962 7.7614 115.0025 61.0519 38.0554 178.1238 978 A 3.9608 7.7155 121.3808 55.1275 18.4409 179.6100 979 L 3.0186 7.3029 117.4259 57.5527 41.4517 180.0084 980 V 3.6571 7.2527 117.6764 65.8332 31.2807 178.3924 981 G 3.6077 7.7889 105.2460 47.6350 0.0000 175.9186 982 K 4.0595 7.9321 120.6432 59.1542 32.0057 179.2468 983 L 4.1461 8.1274 120.7748 58.1159 42.1376 178.7313 984 D 4.3502 8.3891 118.8650 56.9435 40.1459 178.5932 985 A 3.9973 7.7850 121.5799 55.1174 18.5060 179.6837 986 I 3.6567 7.7235 118.3314 64.6272 37.0458 178.3416 987 N 4.3081 8.5011 117.5979 56.2388 38.1427 177.2081 988 K 3.7341 7.6958 119.4943 59.6883 32.3370 177.9007 989 H 4.3533 7.8346 113.7999 56.5886 29.0254 176.6571 990 S 4.8107 7.5755 113.7879 56.7829 63.6691 173.7021 991 F 3.6493 7.2846 119.3315 59.2607 36.8089 173.8314 992 N 4.8504 7.8785 115.7771 51.7705 42.5078 172.5973 993 D 4.8424 7.5747 115.9527 52.9837 41.1918 175.6406 994 F 4.6546 8.6993 119.1643 57.4093 40.0461 175.9241 995 K 4.6866 8.0303 124.0383 54.3408 34.9200 175.7368 996 L 4.5497 8.3131 124.8237 54.7303 44.0550 175.5037 997 R 4.7719 8.9117 124.6446 54.7824 32.7184 173.8564 998 V 4.8054 8.3405 127.3561 61.2665 34.2396 174.8227 999 G 4.4863 8.9987 113.4274 44.6334 0.0000 171.3917 1000 I 5.3227 8.4808 126.2283 59.8001 40.8148 174.2775 1001 N 5.2426 8.8347 122.7766 53.1008 42.8480 172.5312 1002 H 5.9663 8.4292 116.6157 53.0685 32.0744 174.3609 1003 G 3.8873 8.0745 104.7233 45.5666 0.0000 169.7355 1004 P 5.0155 0.0000 0.0000 63.3068 32.6195 175.9794 1005 V 4.7668 8.2604 112.3038 60.6800 37.2840 173.1089 1006 I 5.1441 8.6163 121.2100 59.7421 40.4338 174.8461 1007 A 5.0243 10.3876 128.9332 49.3452 22.2626 176.6201 1008 G 4.3132 7.3355 107.8648 45.4965 0.0000 171.5799 1009 V 4.8481 7.9280 118.1978 60.9963 32.7957 174.9911 1010 I 4.5809 7.9573 123.6408 60.2013 41.1652 175.7559 1011 G 4.0747 8.7941 108.7821 45.9414 0.0000 173.2896 1012 A 4.4064 8.1738 120.2991 52.3612 19.2124 177.9837 1013 Q 4.1418 7.4420 117.3266 56.2127 29.8385 175.2721 1014 K 4.7293 7.5742 118.8381 53.9838 35.9857 175.2842 1015 P 4.6082 0.0000 0.0000 61.6676 29.6494 174.5417 1016 Q 4.5152 7.6964 121.3830 55.3010 30.9039 175.1239 1017 Y 4.7901 8.6629 126.4874 57.6668 39.6827 173.8909 1018 D 4.4546 8.4537 125.3344 52.4536 45.6582 173.3853 1019 I 4.7127 7.0584 112.8761 58.7425 40.8680 174.2208 1020 W 4.8967 9.2835 122.6263 54.6384 33.9129 173.4563 1021 G 4.4116 9.2237 105.5566 43.8651 0.0000 174.6466 1022 N 4.3105 8.9217 117.6270 56.7043 38.8112 176.8685 1023 T 3.8536 7.9559 116.8021 66.8598 68.7329 176.3253 1024 V 3.7288 7.8482 119.3266 66.0362 31.6267 177.5959 1025 N 4.2352 7.9272 116.2355 56.4950 38.5463 177.6684 1026 V 3.5888 8.0522 119.3519 65.5700 31.5691 177.9369 1027 A 3.9795 8.1330 120.8428 55.3359 18.3616 179.6178 1028 S 3.1654 7.5297 111.1755 61.1185 62.3242 176.5474 1029 R 4.0472 7.5637 121.9281 58.5434 29.5897 178.5391 1030 M 4.1989 7.6912 117.2367 57.2140 32.1125 177.6162 1031 D 4.5830 7.3925 118.2302 56.5958 41.6939 178.4662 1032 S 4.1601 8.1099 114.0408 60.5783 63.1046 175.4910 1033 T 4.5303 7.6725 109.2090 61.1982 68.8732 174.9825 1034 G 4.1331 7.7981 112.1641 45.0082 0.0000 173.3562 1035 V 4.4947 8.0045 116.9870 60.3571 34.6223 175.7509 1036 L 4.0185 8.3592 125.1558 56.4000 41.9188 176.9219 1037 D 4.5846 9.1429 121.4345 54.7990 39.0193 173.6935 1038 K 4.7200 7.6846 117.9717 54.6555 36.8232 175.2647 1039 I 4.5878 8.3389 123.3072 59.9500 39.3676 174.2527 1040 Q 5.1149 9.2467 130.0724 54.8579 30.5178 174.8094 1041 V 5.3316 9.2580 119.8074 58.6142 35.6586 175.7808 1042 T 4.4494 8.3041 112.4384 60.8967 70.2474 175.1812 1043 E 4.0431 8.4743 122.8531 59.7280 29.3572 179.0930 1044 E 3.9851 8.1384 116.9403 59.6881 29.6254 178.9596 1045 T 4.0956 7.5487 115.1485 65.8053 68.6554 176.9299 1046 S 3.9194 8.1190 115.7709 61.1637 62.3879 176.1205 1047 L 3.8419 7.5548 121.2732 57.9045 40.9640 179.6103 1048 I 3.4352 7.1106 118.1149 64.3681 36.9509 178.5983 1049 L 4.1090 8.0513 119.7774 57.7435 41.2566 179.6843 1050 Q 4.5991 8.1084 119.4867 58.5209 28.4644 178.5694 1051 T 3.9058 7.6250 109.3302 64.1880 68.8373 175.6015 1052 L 4.4328 7.4457 119.1304 54.6842 41.9695 177.2691 1053 G 3.8857 8.1661 107.8828 45.2116 0.0000 172.9761 1054 Y 4.7512 8.1444 117.2046 56.8093 40.4476 174.5874 1055 T 4.9198 8.6080 118.0231 62.2099 71.2676 173.4380 1056 C 5.5650 8.7429 122.4576 58.3765 32.1005 173.2141 1057 T 4.8248 8.7645 115.7094 61.8968 72.4286 173.3174 1058 C 3.7640 8.8862 126.9551 59.4332 31.4287 173.2301 1059 R 3.7264 8.0965 128.2828 58.8695 30.1498 176.1262 1060 G 3.5267 6.8245 105.7304 44.4086 0.0000 172.6044 1061 I 4.7729 7.9439 123.8372 59.5018 38.9593 174.7826 1062 I 4.3677 8.1631 120.7980 58.9563 40.2137 174.7153 1063 N 4.9621 8.6377 123.8256 53.2738 39.3779 174.0936 1064 V 4.1022 8.5791 127.9234 61.0410 33.2844 175.1353 1065 K 3.9412 8.6643 129.2042 58.5815 32.2151 175.5981 1066 G 4.1127 9.1672 114.9521 45.1281 0.0000 173.8174 1067 K 4.1908 7.8735 117.0369 56.3543 33.8271 176.2960 1068 G 3.7584 8.1639 104.5423 43.6982 0.0000 171.1230 1069 D 4.8295 8.4800 120.2320 54.6480 41.4409 176.1031 1070 L 4.7909 8.9458 124.0064 52.6185 45.5524 175.5189 1071 K 4.8120 8.5599 124.2051 55.3729 33.7891 175.4011 1072 T 4.9431 8.0056 117.1058 60.1438 72.4093 172.4453 1073 Y 4.9636 9.0251 118.2143 56.2778 42.8938 174.4122 1074 F 5.5932 9.1403 120.8044 55.7962 41.4160 175.5895 1075 V 4.1169 8.6883 124.3423 62.9851 32.3329 175.1345 1076 N 4.8753 8.9259 125.3822 51.9990 39.3117 175.5511 1077 T 4.7172 8.5334 119.3204 63.4509 68.5516 174.4369 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 8.39 5.79 0.00 3.07 3.42 0.00 5.73 0.00 0.00 0.00 0.00 6.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 880 Q 8.64 4.30 0.00 2.33 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.97 0.00 0.00 0.00 0.00 0.00 2.22 2.38 0.00 881 S 9.42 5.11 0.00 3.97 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 0.00 882 Y 9.13 4.72 0.00 2.95 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 0.00 883 D 8.99 4.60 0.00 2.69 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 0.00 884 C 8.07 4.88 0.00 3.07 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 0.00 885 V 8.77 4.62 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 0.85 0.00 0.00 0.83 0.00 0.00 886 C 8.96 5.09 0.00 3.12 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 8.74 4.69 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 0.81 0.00 0.00 0.91 0.00 0.00 888 M 8.75 5.33 0.00 2.07 1.81 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.54 0.00 889 F 9.40 4.91 0.00 3.00 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 0.00 890 A 9.18 5.00 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 0.00 891 S 8.95 4.96 0.00 3.94 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 0.00 892 I 7.45 5.04 1.79 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 1.26 0.79 0.78 0.00 0.00 893 P 0.00 4.50 0.00 2.11 2.21 0.00 3.76 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.20 0.00 894 D 8.23 4.72 0.00 3.09 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 0.00 895 F 9.00 4.26 0.00 2.95 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 0.00 896 K 8.42 3.90 0.00 1.90 1.95 0.00 1.88 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.60 7.81 897 E 8.16 4.12 0.00 2.08 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 898 F 7.77 4.34 0.00 3.17 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 899 Y 7.26 3.83 0.00 2.60 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 0.00 900 T 7.29 4.29 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 0.97 0.00 0.00 901 E 8.17 4.38 0.00 1.71 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.17 0.00 902 S 8.03 4.78 0.00 3.91 3.81 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 0.00 903 D 8.49 3.89 0.00 2.64 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 0.00 904 V 7.85 3.68 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 0.99 0.00 0.00 0.90 0.00 0.00 905 N 8.29 4.65 0.00 2.94 2.92 0.00 0.00 7.14 5.89 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 0.00 906 K 8.34 3.65 0.00 1.98 1.89 0.00 1.98 0.00 0.00 1.66 0.00 0.00 2.88 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.37 1.39 7.81 907 E 9.78 3.73 0.00 2.02 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 2.24 2.27 0.00 908 G 9.52 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 0.00 909 L 7.82 4.04 0.00 1.81 1.70 0.97 1.18 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 0.00 910 E 8.29 4.11 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 2.47 2.52 0.00 911 C 8.11 4.64 0.00 3.40 3.25 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 0.00 912 L 8.16 4.32 0.00 1.95 1.80 1.01 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 913 R 8.06 3.93 0.00 2.09 2.16 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 1.68 1.67 0.00 914 L 7.86 4.03 0.00 2.08 2.12 1.00 0.54 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 3.56 0.00 1.38 1.66 0.17 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 916 N 8.43 4.20 0.00 2.96 2.99 0.00 0.00 7.20 8.36 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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5.97 0.00 3.32 3.21 0.00 5.35 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 8.07 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 5.02 0.00 2.15 2.12 0.00 3.80 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.03 0.00 1005 V 8.26 4.77 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 0.63 0.00 0.00 0.89 0.00 0.00 1006 I 8.62 5.14 2.08 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 1.06 1.02 0.00 0.00 1007 A 10.39 5.02 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1008 G 7.34 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 7.93 4.85 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 1.08 0.00 0.00 1010 I 7.96 4.58 1.95 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.82 1.18 0.00 0.00 1011 G 8.79 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 1012 A 8.17 4.41 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 7.44 4.14 0.00 2.04 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.73 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 1014 K 7.57 4.73 0.00 1.76 1.69 0.00 1.80 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.39 7.81 1015 P 0.00 4.61 0.00 2.21 2.12 0.00 3.77 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.00 0.00 1016 Q 7.70 4.52 0.00 2.07 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.15 0.00 0.00 0.00 0.00 0.00 2.40 2.37 0.00 1017 Y 8.66 4.79 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 1018 D 8.45 4.45 0.00 2.36 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 7.06 4.71 1.62 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 0.95 0.53 0.46 0.00 0.00 1020 W 9.28 4.90 0.00 3.32 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 1021 G 9.22 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 0.00 0.00 0.00 0.00 1022 N 8.92 4.31 0.00 2.87 2.85 0.00 0.00 6.86 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 7.96 3.85 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 1.31 0.00 0.00 1024 V 7.85 3.73 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 1.22 0.00 0.00 0.90 0.00 0.00 1025 N 7.93 4.24 0.00 2.97 2.83 0.00 0.00 6.65 7.57 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 1026 V 8.05 3.59 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.96 0.00 0.00 1027 A 8.13 3.98 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 7.53 3.17 0.00 2.72 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1029 R 7.56 4.05 0.00 1.99 1.90 0.00 3.30 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 1.71 1.62 0.00 1030 M 7.69 4.20 0.00 2.25 2.33 0.00 0.00 0.00 0.00 0.00 2.10 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 7.39 4.58 0.00 3.10 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 1032 S 8.11 4.16 0.00 4.04 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 7.67 4.53 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 1.22 0.00 0.00 1034 G 7.80 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1035 V 8.00 4.49 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.98 0.00 0.00 1036 L 8.36 4.02 0.00 1.67 1.61 0.96 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 1037 D 9.14 4.58 0.00 2.79 2.77 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 1038 K 7.68 4.72 0.00 1.33 1.34 0.00 1.26 0.00 0.00 0.72 0.00 0.00 2.63 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.23 1.29 7.81 1039 I 8.34 4.59 1.83 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 1.10 0.80 0.83 0.00 0.00 1040 Q 9.25 5.11 0.00 2.37 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.68 0.00 0.00 0.00 0.00 0.00 2.25 2.15 0.00 1041 V 9.26 5.33 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 0.87 0.00 0.00 1.03 0.00 0.00 1042 T 8.30 4.45 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 1.21 0.00 0.00 1043 E 8.47 4.04 0.00 2.57 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.53 0.00 1044 E 8.14 3.99 0.00 2.18 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 0.00 2.34 2.28 0.00 1045 T 7.55 4.10 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 1.17 0.00 0.00 1046 S 8.12 3.92 0.00 3.52 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 1047 L 7.55 3.84 0.00 1.77 1.60 0.87 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 1048 I 7.11 3.44 1.55 0.00 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.63 0.23 0.00 0.00 1049 L 8.05 4.11 0.00 1.78 1.74 0.74 1.08 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 1050 Q 8.11 4.60 0.00 2.27 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.57 2.47 0.00 1051 T 7.63 3.91 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 1.26 0.00 0.00 1052 L 7.45 4.43 0.00 1.94 1.81 1.07 1.07 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 8.17 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 8.14 4.75 0.00 3.03 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 1055 T 8.61 4.92 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 1056 C 8.74 5.56 0.00 2.79 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 1057 T 8.76 4.82 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 1.34 0.00 0.00 1058 C 8.89 3.76 0.00 2.96 2.72 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 1059 R 8.10 3.73 0.00 0.73 1.52 0.00 3.27 0.00 0.00 3.07 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.25 0.00 1060 G 6.82 3.53 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 1061 I 7.94 4.77 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 0.53 0.91 0.00 0.00 1062 I 8.16 4.37 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 1.03 0.79 0.87 0.00 0.00 1063 N 8.64 4.96 0.00 2.84 2.77 0.00 0.00 6.94 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 8.58 4.10 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 0.92 0.00 0.00 0.90 0.00 0.00 1065 K 8.66 3.94 0.00 1.74 1.72 0.00 1.81 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.44 7.81 1066 G 9.17 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 1067 K 7.87 4.19 0.00 1.73 1.85 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.81 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.35 1.34 7.81 1068 G 8.16 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 1069 D 8.48 4.83 0.00 2.54 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 8.95 4.79 0.00 1.50 1.48 0.90 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 1071 K 8.56 4.81 0.00 1.79 1.68 0.00 1.74 0.00 0.00 1.84 0.00 0.00 2.88 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.15 1.37 7.81 1072 T 8.01 4.94 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 1.12 0.00 0.00 1073 Y 9.03 4.96 0.00 2.83 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 1074 F 9.14 5.59 0.00 2.98 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 1075 V 8.69 4.12 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 0.65 0.00 0.00 0.85 0.00 0.00 1076 N 8.93 4.88 0.00 2.86 2.85 0.00 0.00 7.01 8.36 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 1077 T 8.53 4.72 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 0.96 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.