NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1001 G 3.8601 8.3393 109.7358 45.7379 0.0000 173.1615 1002 S 4.4870 7.9867 120.8869 57.3968 65.2446 171.5796 1003 H 5.2774 8.6204 116.6532 54.0625 33.5695 174.0843 1004 S 5.3752 8.5246 113.5404 56.3285 66.8828 173.2080 1005 L 5.1389 8.3109 121.8346 54.3678 43.5239 173.0556 1006 R 5.0274 9.0254 122.6013 53.3941 33.3284 174.2709 1007 Y 5.2505 8.5424 119.7872 56.5211 40.6920 174.8312 1008 F 5.1420 9.6728 122.4526 56.4012 42.3777 174.6218 1009 Y 5.0029 8.8412 122.2921 57.0397 42.2733 173.6612 1010 T 4.9760 8.6186 122.9142 61.7148 71.9258 172.9295 1011 A 5.5626 8.8269 128.2206 49.0787 22.0825 174.8436 1012 V 4.4353 7.4073 121.5685 60.6228 34.5590 174.3089 1013 S 4.5896 8.3382 122.7074 57.6223 64.2993 174.0939 1014 R 4.4828 8.4857 124.5598 53.4991 30.8149 172.1637 1015 P 4.1759 0.0000 0.0000 63.1718 31.2396 176.6326 1016 G 4.1665 8.8465 112.5906 46.2185 0.0000 172.5381 1017 L 4.8395 7.6875 112.6932 52.6105 43.3563 175.5448 1018 G 4.2052 8.4687 110.3656 43.9265 0.0000 173.9648 1019 E 4.7781 8.5025 121.9596 53.3922 32.3757 172.6089 1020 P 4.6280 0.0000 0.0000 62.7668 32.3412 174.5351 1021 W 5.3549 8.2527 115.1932 55.1399 31.7031 173.2264 1022 F 5.6822 8.1119 113.1272 58.2639 39.6499 172.8971 1023 I 4.0537 7.8359 113.0595 60.8247 40.7138 172.7410 1024 I 5.4363 8.4548 130.8516 59.4522 39.9891 175.0741 1025 V 4.7031 8.6257 123.2290 61.1014 35.5048 174.2070 1026 G 4.1063 8.7527 113.6322 44.5467 0.0000 171.4829 1027 Y 4.9874 8.9331 123.7564 56.3589 39.6045 175.4006 1028 V 5.2988 8.4771 125.7176 59.8936 31.4529 176.4622 1029 D 5.0198 8.9956 130.8209 54.9610 38.7829 175.5474 1030 D 5.1304 8.4964 123.0965 55.3567 41.3187 175.7477 1031 M 4.8239 7.8944 116.7012 53.4584 35.2619 174.7760 1032 Q 3.7323 8.7116 125.1412 55.7373 29.6081 175.2589 1033 V 3.9688 8.7468 119.2375 61.7877 34.0482 175.5870 1034 L 5.4191 7.1897 119.9540 52.4887 45.7811 175.0460 1035 R 5.1251 8.1397 121.5360 55.2320 34.1977 173.3796 1036 F 4.8364 8.6414 124.1003 57.6723 43.8989 173.1590 1037 S 4.5170 7.4228 121.0413 55.7362 66.7153 173.0191 1038 S 3.4475 7.8163 114.6886 59.6051 62.0854 173.9869 1039 K 3.8785 8.7624 126.3148 56.7352 30.8078 174.5109 1040 E 3.9835 7.0870 116.9381 56.8272 29.8562 176.5317 1041 E 4.4197 8.4791 120.9286 57.9919 30.3308 176.6814 1042 T 4.5861 7.4709 109.8522 60.1915 70.0777 170.9407 1043 P 4.9674 0.0000 0.0000 62.7978 32.7156 176.2394 1044 R 4.3009 9.8723 122.9313 55.6912 31.1596 175.1396 1045 M 5.0403 8.6801 124.3749 52.8067 33.5318 174.8898 *1049 A 3.9469 8.4589 127.2678 51.1543 19.6822 175.4517 1050 P 4.1315 0.0000 0.0000 64.7780 31.8836 177.6084 1051 W 4.4393 8.0109 115.0758 59.1227 27.9535 176.0780 1052 L 4.3401 6.2477 117.7041 54.7308 41.1869 177.1153 1053 E 4.0564 8.4313 117.7393 56.5326 29.0221 176.9623 1054 Q 2.9275 7.9688 114.5791 57.3264 26.7419 172.8438 1055 E 3.8348 8.0374 123.0975 55.8082 28.8717 176.1036 1056 E 4.4948 9.4900 126.1225 55.0958 31.1483 176.2768 1057 A 5.4838 7.3450 134.8155 53.6980 20.3633 175.8617 1058 D 4.0554 7.6441 119.2828 54.8466 41.4296 178.0661 1059 D 5.2417 7.6746 128.6851 53.6141 39.2569 177.5287 1060 W 5.0694 7.1563 117.5829 57.5553 29.9172 177.9300 1061 E 4.0241 8.0403 120.0106 59.3010 29.0097 178.9348 1062 Q 3.9765 7.7640 116.8361 59.0619 28.7775 178.5376 1063 Q 4.0955 8.2589 118.3399 59.4824 28.8859 178.8204 1064 T 3.6839 8.5154 114.1417 65.5093 67.3781 175.5661 1065 H 4.0282 8.1394 117.7290 59.0953 28.8278 177.7014 1066 I 3.6733 7.6020 120.9669 64.5332 36.8542 178.7761 1067 V 3.6368 8.1065 119.5148 65.9843 31.0254 178.2120 1068 T 4.0731 7.7726 109.6361 65.1700 68.4109 176.5643 1069 I 3.8991 7.5865 121.4126 63.4131 37.2622 177.6023 1070 Q 4.3453 8.1638 119.7345 58.2220 29.1341 177.1427 1071 G 3.6117 8.8735 109.6526 48.0343 0.0000 174.6428 1072 Q 4.4528 7.7772 118.7384 56.4126 28.6177 175.8083 1073 L 4.8545 7.5337 116.1108 54.6249 42.5681 177.7088 1074 S 4.7649 8.1742 113.7340 60.2620 64.4649 175.7236 1075 E 4.2110 8.2114 117.8365 57.4695 29.3598 176.8499 1076 R 4.7806 7.7174 118.6332 55.5803 30.9252 174.9492 1077 N 4.9359 8.1741 111.7953 53.6479 44.5625 175.7681 1078 L 4.2568 8.7280 121.0903 57.7263 43.0075 178.2658 1079 M 4.0919 8.3323 117.9488 58.9252 32.1845 178.8171 1080 T 4.2031 7.9108 106.2104 62.9379 69.8081 175.6839 1081 L 4.1763 8.6219 123.5681 56.1548 42.0314 178.5538 1082 V 4.0378 7.6361 118.3040 63.8516 31.2889 177.7874 1083 H 4.1775 8.1400 119.6128 59.4246 29.5923 176.1895 1084 F 3.9999 7.9577 121.0306 61.8318 39.1621 176.3313 1085 Y 4.2169 7.7159 116.4090 58.7556 38.4626 175.9703 1086 N 4.1263 7.4981 115.9968 54.6186 37.7431 173.6392 1087 K 4.3209 7.7603 110.6291 56.4502 32.8150 176.2706 1088 S 3.4743 8.2635 116.4809 59.2177 61.5627 173.8159 1089 M 4.8160 8.5263 128.9258 55.5691 30.4957 176.2261 1090 D 4.7548 7.8959 118.2186 54.3727 42.0744 176.6215 1091 D 4.6774 7.4684 118.0068 52.9645 42.3143 175.0599 1092 S 4.6892 8.1245 114.2427 57.3873 63.9259 172.4466 1093 H 5.2280 9.5904 123.9176 54.2119 33.1394 172.3124 1094 T 5.0986 9.1362 109.6861 59.8923 72.3950 172.5092 1095 L 5.2361 8.6065 124.3493 53.5490 45.9781 175.1248 1096 Q 5.8727 9.1523 123.3541 53.2201 32.4638 173.8646 1097 W 5.2198 9.4089 134.2340 56.0177 33.2952 174.5675 1098 L 5.1510 8.8104 127.4264 53.9261 44.8352 174.3129 1099 Q 5.2084 8.3267 127.7932 54.4393 33.2120 173.5745 *1100 D 4.4698 7.6233 116.0898 53.0597 39.6513 168.5087 1101 C 6.3000 8.5274 109.4965 55.1758 45.8653 173.3842 1102 D 5.1573 8.7449 116.4993 51.9366 41.2014 175.5952 1103 V 4.3660 8.0516 123.6675 61.3288 34.7303 173.2354 1104 E 5.7519 8.2353 130.6001 56.0258 32.0824 175.4642 1105 P 4.2618 0.0000 0.0000 65.3218 32.0920 178.3296 1106 D 3.8976 8.0884 119.0420 57.2889 40.9948 178.0827 1107 R 3.9797 9.1863 118.4703 56.0959 30.4479 173.1845 1108 H 4.0232 9.0590 121.6026 57.0647 29.6047 173.2900 1109 L 5.0899 6.4521 132.8110 54.5809 45.0344 172.2350 1110 C 5.2144 7.6399 122.1115 55.4130 47.6176 172.0851 1111 L 4.4248 8.0857 115.5283 54.4502 44.6464 172.6792 1112 W 5.6665 8.9168 135.0000 56.2046 32.6002 174.8178 1113 Y 4.4162 7.0079 122.9494 56.0740 41.3684 174.4711 1114 N 5.3285 7.9619 115.0496 53.8855 41.1828 173.3469 1115 Q 4.7229 8.2566 124.6490 54.1097 33.7637 174.2207 1116 L 5.1694 8.4903 120.3066 52.9689 46.1162 175.1910 1117 A 5.1754 8.6563 121.9287 50.4445 22.2718 174.3606 1118 Y 4.7735 8.9037 123.9729 56.1215 40.5522 175.2821 1119 D 4.7383 10.0406 128.0714 55.3831 39.0751 173.6623 1120 S 4.0479 8.9717 108.6105 58.9198 60.0243 168.8426 1121 E 4.6549 7.8088 117.3234 54.2696 33.4282 174.8515 1122 D 4.7855 8.9087 123.8848 54.8843 41.2768 175.6951 1123 L 4.8814 8.4914 124.2628 52.0367 43.7510 174.8928 1124 P 4.5014 0.0000 0.0000 63.3161 31.3789 176.1535 1125 T 4.2834 8.5720 111.5071 60.2265 70.4301 173.8027 1126 L 3.4871 7.8608 117.1650 55.4649 38.1858 172.9971 1127 S 4.4498 8.2195 113.2128 57.7461 67.4990 176.2350 1128 E 3.9498 9.0290 118.1408 56.0057 27.9839 171.6210 1129 N 4.7343 8.3856 110.8156 55.0627 41.7375 174.7873 1130 P 4.2535 0.0000 0.0000 63.0994 31.5387 175.9283 1131 S 4.1814 8.1752 116.0076 57.9224 62.0346 175.3623 1132 S 4.8504 8.0880 123.0066 59.5156 62.7376 171.0714 1133 C 4.8625 8.0957 113.0825 55.6649 44.9821 172.6298 1134 T 3.7670 8.8862 114.7426 63.9700 66.7618 175.5713 *1158 Q 4.0264 8.9816 114.5872 54.8001 31.0137 175.5540 1159 H 4.3247 7.6914 118.8509 54.9794 30.5608 173.2042 1160 L 3.9550 8.2499 129.9993 57.1440 42.1250 177.7036 1161 E 2.7098 7.7266 117.1248 56.6487 29.4622 176.5472 1162 G 3.9288 7.7259 105.3212 46.4717 0.0000 173.9461 1163 H 5.5088 7.6342 114.5633 55.0011 28.9326 175.1241 1164 C 4.5519 7.6981 119.8994 60.1943 44.3833 175.3281 1165 S 4.0994 8.1265 114.9935 61.8547 62.5094 176.2387 1166 D 4.3242 8.0697 121.8632 57.2859 40.7861 178.5551 1167 V 3.6800 8.9760 119.7792 65.9493 31.3310 178.0317 1168 L 4.2207 8.3600 120.3659 58.2107 41.8963 178.2310 1169 Q 4.3203 8.1884 116.2270 57.1792 29.2838 176.8039 1170 K 4.2725 7.7776 120.4430 59.8101 32.7799 177.6521 1171 Y 4.6820 8.2521 117.0031 61.5296 37.6678 178.8979 1172 L 4.2068 7.8909 118.1175 57.2916 41.7361 178.5931 1173 E 4.4254 8.1415 117.0077 57.4947 30.0389 177.8260 1174 K 4.5339 8.4171 118.6937 57.2464 33.5514 177.0523 1175 G 4.8035 7.9755 106.9905 44.6184 0.0000 173.4758 1176 K 4.3461 8.0657 116.5423 58.0544 33.5009 178.6698 1177 E 4.3142 8.1608 120.3123 58.1813 30.3473 177.0882 1178 R 3.8915 7.8437 116.1883 58.1227 30.1441 177.2037 1179 L 3.9634 7.0171 116.3763 58.3098 42.4877 178.4913 1180 L 4.4793 7.5234 119.6882 53.7533 39.8054 177.0787 1181 R 4.4785 7.6145 117.7712 55.1678 33.3859 174.1076 1182 S 4.8347 8.7344 121.9013 57.0647 63.4888 173.0765 1183 D 4.9346 9.1575 127.5210 52.3830 41.6117 175.1085 1184 P 4.9237 0.0000 0.0000 62.0681 32.3992 174.1491 1185 P 5.0431 0.0000 0.0000 62.2576 33.3945 175.6022 1186 K 4.5790 9.3688 121.5283 55.1112 33.7012 175.3138 1187 A 5.8485 8.5579 126.6759 50.1781 21.7947 175.4661 1188 H 4.5854 8.2699 110.4921 55.0323 31.4196 174.0911 1189 V 5.1192 8.2639 121.9418 62.0991 33.3380 174.9592 1190 T 4.9531 8.5064 117.8891 62.3775 72.8491 173.2287 1191 R 4.6873 8.8748 124.4768 54.5541 32.0442 176.3423 1192 H 4.9498 7.9836 117.9132 53.3029 29.1587 171.7548 1193 P 4.2742 0.0000 0.0000 63.3994 31.7014 177.1914 1194 R 4.4244 8.3547 122.4587 53.8960 31.4130 175.1851 1195 P 4.2553 0.0000 0.0000 66.2274 31.5886 178.0473 1196 E 3.8573 7.9197 117.1010 60.0744 29.9635 177.7070 1197 G 3.6282 7.2024 105.1516 44.9877 0.0000 172.3771 1198 D 5.0102 8.0149 121.0745 52.4668 43.5526 175.7755 1199 V 4.5397 8.7182 123.3310 61.5029 34.1776 174.4949 1200 T 4.8227 7.8328 114.3698 59.9095 71.1722 172.7316 1201 L 4.8283 8.1835 127.3125 53.2100 43.8644 175.7702 1202 R 5.2945 8.6875 123.7790 54.7759 33.3090 172.9481 1203 C 5.2693 9.6094 126.9896 55.4066 42.8987 172.3065 1204 W 5.4739 8.8617 125.3760 55.0268 32.4836 175.1127 1205 A 4.6856 9.0684 123.0971 50.6968 21.3680 175.1417 1206 L 5.3840 8.8793 120.7675 54.8749 45.4895 178.6320 1207 G 4.2196 8.7264 107.4732 45.6467 0.0000 174.4240 1208 F 4.8646 8.2069 114.9366 57.3289 39.5932 173.8652 1209 Y 4.9682 9.0744 121.7194 55.8446 42.4205 173.0646 1210 P 4.3089 0.0000 0.0000 61.1329 33.7433 176.4994 1211 A 3.6308 7.3692 120.9183 53.2673 17.8899 177.0647 1212 D 4.6515 7.4234 117.4995 53.2368 41.7669 175.7602 1213 I 4.4980 7.7318 122.3889 60.4322 40.6313 174.2780 1214 T 4.4591 8.4926 124.1600 61.5658 69.9152 171.3627 1215 L 4.8695 8.1172 124.8761 53.9915 42.7299 176.0551 1216 T 4.8558 8.5997 113.1099 59.6980 73.0170 172.6878 1217 W 5.1125 8.7771 121.7405 55.4912 32.2077 174.8472 1218 Q 4.9711 8.8280 122.6438 56.5931 32.6680 174.0899 1219 K 5.0067 8.5496 111.7743 58.0475 34.4216 174.8509 1220 D 4.3535 8.2906 128.6626 54.8709 37.2633 176.1890 1221 G 3.9912 8.3224 107.6920 44.8200 0.0000 173.6094 1222 E 4.1885 7.5715 121.4952 55.2298 30.3350 175.0555 1223 E 4.5393 8.5675 126.0182 55.6347 30.0746 177.5368 1224 L 4.2756 8.1359 125.0779 54.7720 39.8930 178.6803 1225 T 3.9985 7.8097 127.8027 62.8152 67.3144 176.6019 *1228 V 4.1322 7.5081 120.6544 61.8331 32.7307 175.7540 1229 E 4.3482 9.6798 125.4118 54.6621 32.7180 174.3186 1230 F 3.9787 7.1528 111.8467 57.0267 40.7058 173.0951 1231 V 4.2524 7.2799 110.2610 59.3032 34.9658 176.0226 1232 E 3.7525 8.6304 123.4445 56.4351 29.9991 177.0306 1233 T 4.3894 8.0406 111.8657 61.9726 69.6614 173.6384 1234 R 4.9923 8.6260 120.4534 53.4832 33.4123 172.6507 1235 P 4.4016 0.0000 0.0000 62.8919 31.6113 176.3089 1236 A 4.0986 8.2224 125.6990 54.9508 18.8101 177.4291 1237 G 3.4712 7.3857 103.8119 45.1857 0.0000 173.7435 1238 D 4.7388 8.9927 117.8521 52.3950 41.2029 176.0423 1239 G 3.5309 7.7859 115.6220 46.2434 0.0000 173.2717 1240 T 4.2294 6.9966 110.4315 61.3705 70.8233 173.0410 1241 F 5.2314 7.8226 119.2529 55.9496 43.7221 173.6318 1242 Q 5.8112 9.0530 117.3082 53.6963 34.0072 174.1737 1243 K 4.6132 8.3536 123.7977 56.8202 34.9854 172.8596 1244 W 6.0145 7.3274 118.6597 55.7286 31.4823 172.9389 1245 A 5.3495 8.9246 122.6248 50.5407 21.1329 175.1623 1246 A 5.5707 9.3727 121.7819 50.3111 23.4261 175.6423 1247 V 4.0624 7.8312 111.4836 59.9227 36.6716 174.8490 1248 V 4.3108 8.2546 117.3311 60.2232 32.1505 175.3893 1249 V 3.9969 8.5577 126.6841 60.5216 33.7753 173.4780 1250 P 4.5710 0.0000 0.0000 61.8347 32.0437 173.8036 1251 L 3.8826 7.7665 128.4587 56.7862 41.4568 177.1052 1252 G 4.9108 7.5691 125.9774 46.1234 0.0000 171.1902 1253 K 4.5712 7.6350 119.7113 54.5111 31.5549 175.8479 1254 V 3.8487 7.4621 114.8578 62.0789 33.2057 175.5826 1255 Q 4.5437 8.1174 116.3673 57.1637 29.5750 176.1555 1256 S 4.6507 8.2006 111.8252 58.6477 63.9351 172.7235 1257 Y 5.4936 8.3429 118.9528 56.4225 39.7536 174.9037 1258 T 4.7459 8.7357 111.3079 60.6038 72.4836 172.6208 1259 C 4.6627 7.8533 121.3979 54.9072 40.8897 172.2943 1260 H 5.8744 8.7345 123.1287 53.8395 31.0351 174.2097 1261 V 4.5357 8.0661 121.0887 61.2230 34.5544 173.7003 1262 D 5.1700 8.3217 127.9653 52.8147 44.3074 174.5049 1263 H 5.1482 8.5854 121.7577 54.1953 33.3469 173.8568 1264 E 3.9308 8.4673 120.7321 58.9922 29.4380 178.2057 1265 G 3.8936 7.9809 106.2149 46.2510 0.0000 173.2745 1266 L 4.5973 7.5229 120.4286 52.8165 42.9698 175.3466 1267 P 4.4124 0.0000 0.0000 65.3070 31.6966 176.6741 1268 E 4.6454 8.0747 115.8661 54.3627 32.4048 172.1787 1269 P 4.2309 0.0000 0.0000 60.5855 32.8819 174.9146 1270 L 4.6279 8.6186 121.0470 53.2069 43.9613 176.3680 1271 T 4.7772 8.0323 119.2821 61.7628 68.5979 172.7569 1272 L 4.2365 8.2303 121.8235 53.7300 42.7588 177.8405 1273 R 4.4328 8.3319 124.9919 54.1688 27.5025 176.0438 1274 W 3.8300 8.5004 128.8468 59.2533 29.2283 174.4094 1275 E 4.1577 8.7153 114.1219 54.7284 26.5230 173.1139 1276 P 4.3336 0.0000 0.0000 63.0053 31.3556 175.9371 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 1001 G 8.34 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1002 S 7.99 4.49 0.00 4.23 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1003 H 8.62 5.28 0.00 3.10 3.38 0.00 5.56 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1004 S 8.52 5.38 0.00 3.99 3.95 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 1005 L 8.31 5.14 0.00 1.95 1.74 1.13 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 1006 R 9.03 5.03 0.00 1.58 1.61 0.00 2.97 0.00 0.00 2.92 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.39 0.00 1007 Y 8.54 5.25 0.00 2.76 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 1008 F 9.67 5.14 0.00 3.07 3.11 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 1009 Y 8.84 5.00 0.00 3.04 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 1010 T 8.62 4.98 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 1.26 0.00 0.00 1011 A 8.83 5.56 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 1012 V 7.41 4.44 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 0.00 0.00 0.47 0.00 0.00 0.53 0.00 0.00 1013 S 8.34 4.59 0.00 3.95 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 1014 R 8.49 4.48 0.00 2.09 2.01 0.00 3.39 0.00 0.00 3.51 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.78 0.00 1015 P 0.00 4.18 0.00 2.27 2.17 0.00 3.85 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.26 0.00 1016 G 8.85 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1017 L 7.69 4.84 0.00 1.72 1.60 0.98 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 1018 G 8.47 4.21 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 0.00 1019 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0.00 0.00 0.00 0.00 0.00 1096 Q 9.15 5.87 0.00 2.14 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.57 0.00 0.00 0.00 0.00 0.00 2.38 2.21 0.00 1097 W 9.41 5.22 0.00 3.18 2.59 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 1098 L 8.81 5.15 0.00 1.70 1.44 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 1099 Q 8.33 5.21 0.00 1.64 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.84 5.66 0.00 0.00 0.00 0.00 0.00 2.00 1.71 0.00 *1100 D 7.62 4.47 0.00 2.66 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 1101 C 8.53 6.30 0.00 3.42 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 1102 D 8.74 5.16 0.00 2.72 2.68 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 1103 V 8.05 4.37 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 1.10 0.00 0.00 1.08 0.00 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0.00 3.43 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 1113 Y 7.01 4.42 0.00 2.61 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1114 N 7.96 5.33 0.00 2.55 2.74 0.00 0.00 7.11 7.08 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 1115 Q 8.26 4.72 0.00 2.01 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.58 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 1116 L 8.49 5.17 0.00 1.46 1.46 0.17 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 1117 A 8.66 5.18 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 1118 Y 8.90 4.77 0.00 3.21 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 1119 D 10.04 4.74 0.00 2.08 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1120 S 8.97 4.05 0.00 3.98 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 1121 E 7.81 4.65 0.00 1.95 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.57 0.00 1122 D 8.91 4.79 0.00 2.57 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1123 L 8.49 4.88 0.00 1.68 1.54 0.93 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 1124 P 0.00 4.50 0.00 2.02 2.03 0.00 3.68 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.91 0.00 1125 T 8.57 4.28 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 1126 L 7.86 3.49 0.00 1.72 1.68 0.89 0.74 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 1127 S 8.22 4.45 0.00 3.80 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 1128 E 9.03 3.95 0.00 2.10 2.10 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 1209 Y 9.07 4.97 0.00 3.10 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 1210 P 0.00 4.31 0.00 1.92 1.48 0.00 3.76 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.78 0.00 1211 A 7.37 3.63 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1212 D 7.42 4.65 0.00 2.56 2.54 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 1213 I 7.73 4.50 1.46 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.55 0.60 0.00 0.00 1214 T 8.49 4.46 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 1215 L 8.12 4.87 0.00 1.43 1.58 0.88 0.85 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 1216 T 8.60 4.86 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 1217 W 8.78 5.11 0.00 3.32 3.09 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 1218 Q 8.83 4.97 0.00 1.91 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.88 0.00 0.00 0.00 0.00 0.00 2.21 2.14 0.00 1219 K 8.55 5.01 0.00 0.94 1.36 0.00 0.83 0.00 0.00 1.28 0.00 0.00 2.80 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.04 0.92 7.81 1220 D 8.29 4.35 0.00 2.93 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 1221 G 8.32 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 0.00 0.00 0.00 0.00 1222 E 7.57 4.19 0.00 1.89 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 2.26 2.39 0.00 1223 E 8.57 4.54 0.00 1.97 1.88 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 2.28 2.36 0.00 1224 L 8.14 4.28 0.00 1.72 1.65 0.90 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 1225 T 7.81 4.00 4.22 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 1.20 0.00 0.00 *1228 V 7.51 4.13 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 0.61 0.00 0.00 0.98 0.00 0.00 1229 E 9.68 4.35 0.00 2.19 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 0.00 2.20 2.40 0.00 1230 F 7.15 3.98 0.00 2.74 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 1231 V 7.28 4.25 1.72 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 0.31 0.00 0.00 -0.38 0.00 0.00 1232 E 8.63 3.75 0.00 1.84 1.75 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 2.21 2.18 0.00 1233 T 8.04 4.39 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 1.14 0.00 0.00 1234 R 8.63 4.99 0.00 1.87 2.06 0.00 2.92 0.00 0.00 3.33 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 1235 P 0.00 4.40 0.00 2.01 2.04 0.00 3.81 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 1236 A 8.22 4.10 1.27 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 0.00 0.00 0.00 1237 G 7.39 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1238 D 8.99 4.74 0.00 2.64 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1239 G 7.79 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 1240 T 7.00 4.23 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 1.17 0.00 0.00 1241 F 7.82 5.23 0.00 1.51 2.43 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 0.00 1242 Q 9.05 5.81 0.00 2.18 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 7.03 0.00 0.00 0.00 0.00 0.00 2.45 2.23 0.00 1243 K 8.35 4.61 0.00 1.99 1.70 0.00 1.55 0.00 0.00 1.70 0.00 0.00 2.58 0.00 0.00 2.35 0.00 0.00 0.00 0.00 1.01 1.10 7.81 1244 W 7.33 6.01 0.00 2.89 1.88 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 1245 A 8.92 5.35 1.55 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 1246 A 9.37 5.57 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 0.00 0.00 1247 V 7.83 4.06 1.92 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 0.58 0.00 0.00 0.26 0.00 0.00 1248 V 8.25 4.31 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.00 0.87 0.00 0.00 1249 V 8.56 4.00 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 -0.00 0.00 0.00 0.12 0.00 0.00 1250 P 0.00 4.57 0.00 2.05 1.94 0.00 3.53 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.03 0.00 1251 L 7.77 3.88 0.00 1.63 1.75 0.84 0.98 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 1252 G 7.57 4.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1253 K 7.64 4.57 0.00 1.82 1.82 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.89 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.51 7.81 1254 V 7.46 3.85 1.71 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 0.29 0.00 0.00 0.52 0.00 0.00 1255 Q 8.12 4.54 0.00 2.16 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.71 0.00 0.00 0.00 0.00 0.00 2.51 2.43 0.00 1256 S 8.20 4.65 0.00 4.06 4.20 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 1257 Y 8.34 5.49 0.00 2.94 3.35 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 0.00 1258 T 8.74 4.75 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 1.32 0.00 0.00 1259 C 7.85 4.66 0.00 1.23 1.89 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 1260 H 8.73 5.87 0.00 3.03 3.10 0.00 5.64 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1261 V 8.07 4.54 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 0.91 0.00 0.00 0.85 0.00 0.00 1262 D 8.32 5.17 0.00 2.81 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1263 H 8.59 5.15 0.00 3.09 3.04 0.00 5.87 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1264 E 8.47 3.93 0.00 2.03 1.91 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 2.05 2.23 0.00 1265 G 7.98 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 1266 L 7.52 4.60 0.00 1.67 1.60 0.93 1.07 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 1267 P 0.00 4.41 0.00 2.04 2.11 0.00 3.72 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 1268 E 8.07 4.65 0.00 1.85 1.75 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 2.19 2.35 0.00 1269 P 0.00 4.23 0.00 2.03 2.05 0.00 3.67 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.22 0.00 1270 L 8.62 4.63 0.00 1.80 1.50 0.94 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 1271 T 8.03 4.78 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 1272 L 8.23 4.24 0.00 1.67 1.66 0.89 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 1273 R 8.33 4.43 0.00 2.00 2.08 0.00 3.17 0.00 0.00 3.27 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.71 0.00 1274 W 8.50 3.83 0.00 3.51 3.43 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 0.00 1275 E 8.72 4.16 0.00 2.05 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.49 0.00 1276 P 0.00 4.33 0.00 2.03 1.94 0.00 3.75 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.94 0.00 * Residues marked with a * may have inaccurate shift predictions.