NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1013 T 4.3130 8.1744 117.3777 63.4056 69.8431 173.6902 1014 I 3.6226 8.0013 124.4116 62.2725 38.2654 175.0916 1015 F 5.4042 7.3843 117.8678 55.6813 42.0267 175.4921 1016 S 4.6277 9.1370 119.2704 57.5844 65.3671 175.1029 1017 E 3.9581 8.6533 121.4823 59.3798 29.2529 178.0277 1018 N 4.3441 8.1701 116.5418 56.8381 39.0688 176.5256 1019 E 3.9153 8.2115 119.8656 59.4008 29.5154 178.5199 1020 Y 3.8618 8.4222 119.8652 60.9855 38.9656 178.1195 1021 N 4.4198 8.4626 117.1417 56.3909 38.6681 177.3459 1022 E 3.9635 8.3729 120.0246 59.5344 29.5098 179.5376 1023 I 3.7171 7.8635 120.1751 64.1434 37.0555 178.5738 1024 V 3.4031 7.6512 119.2689 65.8599 31.2171 177.7594 1025 E 3.9112 7.9799 118.4715 59.6264 29.4819 178.7306 1026 M 4.1652 8.1447 118.7357 58.4639 32.0372 178.8101 1027 L 3.8236 8.3998 119.6496 57.4929 41.7182 179.5845 1028 R 3.8843 8.0641 118.8770 59.5060 30.0500 178.2748 1029 D 4.3883 8.3510 118.8919 57.4378 40.5600 178.1799 1030 Y 4.1144 8.1201 119.5037 60.7706 38.9435 178.0012 1031 S 3.9415 7.9825 113.8558 61.0896 63.1160 175.4953 1032 N 4.6516 8.0377 118.4265 53.3378 38.8792 175.7531 1033 G 3.8971 7.4406 109.0255 45.1819 0.0000 172.9539 1034 D 4.6214 8.5633 118.0204 55.5065 42.3827 177.5568 1035 N 4.9415 7.9103 113.4881 52.8140 40.1016 173.9854 1036 L 4.8140 7.9374 121.6209 54.6097 43.2179 175.6620 1037 E 5.1056 9.5007 125.4426 54.5719 33.2510 174.6258 1038 F 5.0662 8.4612 124.0669 56.3744 42.5290 173.1898 1039 E 5.1500 8.6085 126.2499 54.3759 33.5296 173.9385 1040 V 4.5849 8.8188 126.2328 61.2127 34.1288 174.1335 1041 S 5.0104 8.8940 124.7599 56.9934 64.7065 173.9200 1042 F 4.9012 9.0472 123.9482 55.9955 40.2666 175.7946 1043 K 4.1782 8.5123 122.1244 56.7168 32.6879 176.4311 1044 N 4.8371 8.9569 123.4726 53.8941 39.0719 174.3869 1045 I 4.6908 8.2892 116.0561 59.3041 40.5253 174.9282 1046 N 4.9519 8.4838 120.7436 51.7442 39.2725 175.4017 1047 Y 3.1033 8.7326 118.2915 60.1903 38.6370 176.1561 1048 P 4.1021 0.0000 0.0000 66.0857 31.1321 177.9876 1049 N 4.3421 8.2656 115.6300 55.6103 38.4512 177.2617 1050 F 4.0526 8.0042 122.3647 61.4594 39.4781 176.8796 1051 M 3.4298 7.6029 118.0354 58.2749 32.0519 178.2045 1052 R 3.7299 7.6430 118.7872 59.4516 30.3055 178.6355 1053 I 3.6273 7.8206 119.9179 64.5812 37.1021 178.5526 1054 T 3.7153 7.5706 116.5493 66.6934 68.2018 176.6221 1055 E 3.8768 7.9602 120.3300 59.2269 29.4323 179.0055 1056 H 3.8902 7.8625 118.2185 59.4583 29.9937 177.0405 1057 Y 3.6285 7.5348 118.4470 60.7170 37.1729 178.5449 1058 I 3.9559 7.4103 120.2583 64.3454 37.2610 177.6369 1059 N 4.3977 7.9242 117.3487 56.0761 38.9202 176.1887 1060 I 4.0957 7.3036 111.5341 60.4742 38.5337 175.4308 1061 T 4.6441 7.0961 117.9431 60.7812 70.5185 172.6136 1062 P 4.4857 0.0000 0.0000 62.4121 32.3337 177.0386 1063 E 3.9882 8.9850 120.0403 59.7059 29.4922 178.8989 1064 N 4.5571 8.1523 113.8337 54.4443 37.9755 175.4060 1065 K 4.5582 8.3635 118.2676 56.1593 33.5967 175.2380 1066 I 4.7828 7.4804 121.3429 59.3845 39.3637 174.7346 1067 E 4.7558 8.8959 127.6507 54.1811 32.7192 174.3654 1068 S 5.1029 8.6615 120.6029 56.6399 65.6386 173.0305 1069 N 5.1764 8.9697 119.8106 51.7091 43.3989 172.9056 1070 N 5.3609 8.8483 119.5585 51.6813 40.8861 173.4698 1071 Y 4.7572 8.0855 120.9375 55.7367 42.2836 173.1028 1072 L 5.0221 8.6292 122.4996 53.5231 44.5766 174.5369 1073 D 5.2905 9.1284 126.8002 52.8121 43.2887 175.3888 1074 I 4.7005 8.7287 124.6834 59.6890 40.0602 174.5756 1075 S 5.0868 8.8415 124.3529 56.7178 65.2545 173.3227 1076 L 4.8053 8.9139 125.6349 53.3771 43.3519 175.5231 1077 I 4.7476 8.4243 126.4735 59.8106 39.0060 175.8481 1078 F 4.6706 9.0701 126.1606 55.6283 40.4369 175.4060 1079 P 4.2911 0.0000 0.0000 65.8546 31.2587 177.3977 1080 D 4.5669 8.2079 115.1499 53.3271 39.3959 177.7992 1081 K 4.1331 8.1359 118.1813 56.8692 31.0855 176.1446 1082 N 4.7688 8.4003 117.0257 53.2286 39.9160 174.2190 1083 V 5.1809 8.8811 120.7263 61.3759 35.4349 173.6626 1084 Y 4.7620 9.2931 128.3011 55.9103 41.0872 174.0169 1085 R 4.8636 8.4640 127.9090 54.3554 33.0863 174.2405 1086 V 4.5711 8.3255 126.1050 61.1389 34.2573 174.1472 1087 S 5.1728 9.1941 124.2234 56.8033 65.5030 172.8914 1088 L 5.0343 8.9237 125.7661 53.5212 42.6604 177.1149 1089 F 4.5182 9.3310 123.1470 57.9521 40.8401 175.9267 1090 N 4.6285 8.2623 118.3818 52.8445 39.1487 175.2132 1091 Q 4.1290 8.9739 125.9472 59.1723 28.7077 178.5966 1092 E 3.9852 8.2550 119.8610 59.3396 29.7317 178.5158 1093 Q 4.0734 8.7653 119.8612 59.0330 29.0786 178.1895 1094 I 3.9295 8.1293 121.1512 64.4283 37.2390 178.5764 1095 G 3.6608 8.1912 106.4875 47.9689 0.0000 175.5601 1096 E 4.0352 8.5638 121.2628 58.9116 29.4495 179.2902 1097 F 4.2625 8.6663 120.9599 61.4493 39.5742 177.2400 1098 I 3.5698 8.0250 119.4544 64.5924 36.6551 178.6226 1099 T 3.8579 7.6153 115.2533 66.5842 68.4323 176.4554 1100 K 3.7820 7.7533 119.9903 58.7114 32.5475 177.8980 1101 F 4.5105 7.5381 115.6795 57.0403 38.7871 177.5585 1102 S 4.1400 7.4258 118.3083 61.9482 62.6751 176.3488 *1103 K 4.4455 7.7656 116.8199 53.9361 32.3271 177.6815 1104 A 4.3789 7.5279 122.0454 52.6815 19.2224 178.5778 1105 S 4.6015 8.3290 114.7823 57.5412 65.6840 175.2725 1106 S 4.1228 8.6090 116.5126 61.8096 62.1030 175.9279 1107 N 4.3532 8.1411 119.0722 56.7956 38.9020 176.4378 1108 D 4.5009 8.0461 120.3325 57.3924 40.8373 178.9224 1109 I 3.5429 7.8990 120.3041 64.5135 37.3159 178.6131 1110 S 4.1426 8.2454 115.9956 61.7623 62.3805 177.1082 1111 R 4.0201 7.8593 119.9477 59.1843 30.2243 178.1674 1112 Y 4.2669 8.0168 119.0059 60.7077 38.5664 177.7996 1113 I 3.5714 8.0275 120.9596 64.5587 37.0615 178.5149 1114 V 3.7283 7.5460 116.9421 65.1805 31.4178 177.6692 1115 S 4.2591 7.5665 112.6484 59.6315 63.5047 174.7454 1116 L 4.0040 6.8502 122.6285 54.6576 41.9318 175.9624 1117 D 5.0112 8.2200 122.1878 51.5315 43.1485 174.6580 1118 P 4.6324 0.0000 0.0000 63.1167 31.8397 175.9483 1119 S 4.5146 8.4755 113.6663 58.0303 65.3940 174.3616 1120 D 4.3594 8.6663 118.8145 56.8781 40.8253 176.8730 1121 D 4.7388 7.9646 117.6130 54.2728 42.1131 175.5677 1122 I 5.0525 7.4486 119.0432 59.6390 40.3590 174.0900 1123 E 4.8910 9.0762 127.4994 54.6632 31.8095 175.5185 1124 I 4.8635 8.1356 123.6779 59.5102 41.2491 174.5334 1125 V 4.8155 8.3253 124.8216 61.5941 35.6489 173.0555 1126 Y 4.9199 9.0732 124.7506 56.7136 39.8875 174.7284 1127 K 4.7431 9.0814 125.0048 54.2129 34.0577 176.8342 1128 N 5.3036 8.9817 128.2249 52.4880 37.0794 176.9986 1129 R 4.0448 7.8563 119.5859 58.7275 31.0669 179.9231 1130 G 3.8332 8.5034 106.2517 47.1142 0.0000 174.2985 1131 S 4.6561 7.9567 113.3601 57.7566 63.2943 174.2892 1132 G 4.0089 7.6883 108.4017 46.1903 0.0000 173.4441 1133 K 4.7527 8.8741 121.0141 54.2581 35.0263 174.5651 1134 L 5.2621 8.4858 128.3504 53.2546 45.1463 175.2377 1135 I 4.6194 8.8455 119.4289 59.0646 40.7989 174.6807 1136 G 4.2322 8.7760 112.4879 45.5038 0.0000 172.6500 1137 I 4.9170 7.9546 123.2697 59.1300 39.7168 175.1265 1138 D 4.3866 9.5008 130.6202 56.2763 40.9135 177.2203 *1139 N 4.6085 9.1046 120.1022 52.1408 35.5092 171.4215 1140 W 4.6255 7.3447 116.2995 55.6239 30.0487 175.3528 1141 A 4.7075 8.0805 127.4440 50.8519 15.7164 176.0470 1142 I 5.0568 7.6296 114.5813 58.9831 42.1878 175.4596 1143 T 4.8225 8.8093 120.0470 61.8672 72.2070 172.8714 1144 I 4.7037 8.5393 125.9742 59.3695 40.1134 174.8088 1145 K 4.9198 8.7559 125.9478 54.4247 36.3060 175.2081 1146 S 5.0491 9.0856 118.4022 56.9064 65.1706 172.8246 1147 T 4.8801 8.8041 123.5787 61.5829 72.8683 172.9076 1148 E 4.6403 8.8600 127.0691 56.0108 30.9546 174.8669 1149 E 5.1669 9.2314 127.5089 54.8489 32.0781 175.9140 1150 I 4.3742 8.7887 127.4284 58.9951 38.7034 173.7219 1151 P 4.7814 0.0000 0.0000 62.1833 32.3451 176.2279 1152 L 4.5861 8.6419 126.2454 53.8819 42.8103 176.0655 1153 V 4.3003 8.2194 118.9687 59.0771 34.2302 175.5175 1154 A 4.1067 8.2664 124.0463 53.0796 19.4735 177.1532 1155 G 3.4575 8.4249 108.6245 45.7598 0.0000 173.8907 *1157 S 4.2461 7.6816 113.0485 58.9104 64.5601 174.9692 *1158 K 4.6002 8.4304 121.9057 54.7867 37.0631 172.9262 1159 I 4.1774 7.7582 118.8614 60.6610 37.4245 175.8375 1160 S 4.6342 8.3935 120.3016 57.0116 64.5480 173.7298 1161 K 4.3233 8.1844 120.3623 54.7906 32.8845 175.4556 1162 P 4.4336 0.0000 0.0000 62.4097 32.1785 175.6084 1163 K 4.4469 8.2253 118.7882 55.0921 33.3440 176.4307 1164 I 4.5084 8.2754 124.8942 60.7378 38.0246 175.6840 1165 T 4.4541 9.5768 114.1739 60.7350 70.2362 175.0790 1166 G 4.0196 8.8938 110.4353 45.3230 0.0000 174.2973 1167 S 4.4387 7.2482 112.3246 58.6748 63.6806 174.3424 1168 E 4.1223 7.7478 121.4145 56.4870 29.9520 176.0506 1169 R 4.5936 8.4283 123.8548 54.7747 32.7284 174.7652 1170 I 4.8837 8.0921 124.4036 59.5863 40.3862 174.4824 1171 M 4.5547 8.4926 125.3403 53.7785 35.7412 173.4161 1172 Y 5.2222 8.5061 122.7391 56.3250 41.4374 175.0553 1173 R 4.8508 8.9951 122.0627 54.8012 34.4390 173.4326 1174 Y 4.7818 8.9640 126.7582 56.1668 40.3008 174.2762 1175 K 4.6053 7.9394 126.4623 54.6404 35.6220 175.5917 1176 T 4.5465 8.6027 121.1488 61.8861 70.6444 172.5974 1177 R 5.0108 8.7898 127.6938 54.6173 32.9180 174.3169 1178 Y 4.9416 9.0227 122.9703 56.2759 41.2007 174.5709 1179 S 5.0688 8.8947 121.0119 56.5684 66.1448 173.1112 1180 F 5.0637 9.3723 123.9510 56.1989 41.2939 175.0937 1181 T 4.7368 8.7581 122.8459 62.2154 66.6506 175.0225 1182 I 3.9454 8.1811 121.1402 63.2779 37.7449 175.9759 1183 N 4.7262 7.4561 116.1892 52.3135 39.1235 174.4150 1184 K 4.0429 8.6557 116.2439 58.3714 32.5909 177.4040 1185 N 4.8988 8.0182 117.3398 54.1983 39.7883 174.7861 1186 S 5.1734 8.6004 111.9373 56.6941 67.6710 173.1397 1187 R 4.9748 8.7861 119.2733 54.9641 33.6732 173.4036 1188 I 4.7587 9.1040 127.7081 60.1059 39.0884 174.1815 1189 D 5.4002 9.1875 127.8289 52.6054 43.3372 175.3882 1190 I 5.1349 9.1517 124.6041 59.9266 40.4220 174.7496 1191 T 5.1935 9.3022 123.5947 61.7860 72.6414 172.5445 1192 D 4.7966 9.1247 126.1191 53.0299 42.7095 175.0524 1193 V 4.6315 8.4915 126.7920 60.8866 34.5823 174.1300 1194 K 4.8119 8.8275 127.1626 54.8151 34.2097 175.3225 1195 S 5.2106 8.1241 120.7347 56.9206 66.0572 173.5090 1196 S 4.6455 8.4323 114.8296 57.4301 66.0318 174.7104 1197 P 4.6624 0.0000 0.0000 62.9107 31.6032 175.6571 1198 I 4.3843 7.5449 113.8384 58.8254 39.3440 176.4960 1199 I 3.1190 8.0731 126.0130 63.7539 37.2440 178.3202 1200 W 4.2584 8.0518 116.4052 59.1253 28.2628 177.1715 1201 K 4.1412 7.0249 117.0672 57.0729 32.3218 178.3775 1202 L 3.8252 7.4654 120.9289 58.5855 41.7827 178.9433 1203 M 4.2672 7.9230 114.7816 56.9729 32.0774 176.8882 1204 T 4.3835 7.5120 107.6065 61.2502 70.0676 175.1559 1205 V 3.7575 7.1167 121.6856 61.8184 32.1224 173.9169 1206 P 4.3870 0.0000 0.0000 62.5425 31.8599 176.3824 1207 S 4.3684 8.4012 118.2832 58.6994 63.5901 173.3779 1208 N 4.6563 8.7126 121.0057 51.6516 42.0300 173.3711 1209 Y 4.9852 8.1010 117.5207 56.4383 41.1681 174.5504 1210 E 5.0532 9.3999 124.4365 54.6683 32.8660 175.0021 1211 L 5.2506 8.4353 123.2986 53.7290 45.5318 174.8439 1212 E 5.4592 9.5352 124.7690 54.7371 34.6496 173.8669 1213 L 5.1965 9.1337 124.5651 53.4186 44.9107 174.8296 1214 E 5.1766 9.2386 125.7717 54.4393 32.6410 175.3892 1215 L 4.8071 8.6161 124.8041 54.6682 42.0330 176.9020 1216 I 4.6322 9.0974 115.2120 61.0168 39.3084 174.9702 1217 N 5.1289 8.0684 118.5021 51.1189 42.6695 173.9498 1218 K 4.2857 8.4755 119.7998 57.0510 33.2095 176.3186 1219 I 4.6249 7.8975 114.5575 58.4447 40.9112 174.3913 1220 D 4.7010 8.1543 121.2459 52.1344 42.3622 177.1347 1221 I 3.7302 7.9832 118.4441 63.8240 37.8511 177.4905 1222 N 4.4054 8.2353 117.3660 56.6189 38.4797 177.2420 1223 T 3.8882 8.4873 117.3939 66.3772 68.4283 176.4245 1224 L 3.9398 7.8777 122.3007 58.2121 42.0442 178.6258 1225 E 3.8792 8.5096 119.3440 59.4866 29.5932 178.9952 1226 S 4.1032 8.2037 115.1132 61.6186 62.7407 176.5427 1227 E 3.9876 8.3549 121.3250 59.3928 29.1070 179.4681 1228 L 3.9040 8.2259 119.3255 57.6994 41.6568 179.5133 1229 L 4.1075 8.1809 119.2722 57.8967 41.1849 179.3704 1230 N 4.3603 8.1163 116.4982 56.1262 38.4031 177.6461 1231 V 3.6067 7.4836 119.8343 65.7479 31.5203 178.1265 1232 F 4.5875 8.1431 117.9136 60.9545 38.5223 177.5784 1233 M 4.1526 8.2312 118.4925 58.3772 31.4982 178.8694 1234 I 3.6021 7.1069 118.0120 64.0616 37.2803 178.2774 1235 I 3.8841 7.7062 120.0877 64.4930 37.1507 178.1362 1236 Q 4.2224 8.1905 116.4353 57.4423 28.7109 176.2980 1237 D 4.5863 7.6017 124.0376 54.5523 41.4018 175.3230 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 1013 T 8.17 4.31 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 1.43 0.00 0.00 1014 I 8.00 3.62 1.26 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 -0.36 -0.24 0.00 0.00 1015 F 7.38 5.40 0.00 3.31 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 1016 S 9.14 4.63 0.00 4.13 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 1017 E 8.65 3.96 0.00 2.08 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 2.41 2.34 0.00 1018 N 8.17 4.34 0.00 2.83 2.84 0.00 0.00 7.19 7.65 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 1019 E 8.21 3.92 0.00 2.46 1.95 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 2.38 2.39 0.00 1020 Y 8.42 3.86 0.00 3.23 3.21 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 1021 N 8.46 4.42 0.00 2.99 2.91 0.00 0.00 7.13 6.95 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 1022 E 8.37 3.96 0.00 2.05 1.95 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 2.48 2.48 0.00 1023 I 7.86 3.72 1.41 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.48 0.79 0.00 0.00 1024 V 7.65 3.40 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 0.94 0.00 0.00 0.41 0.00 0.00 1025 E 7.98 3.91 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.40 0.00 1026 M 8.14 4.17 0.00 2.37 2.42 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.60 0.00 1027 L 8.40 3.82 0.00 1.73 1.56 0.71 -0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 1028 R 8.06 3.88 0.00 1.88 2.07 0.00 3.09 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 1029 D 8.35 4.39 0.00 2.93 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 1030 Y 8.12 4.11 0.00 3.12 3.21 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 1031 S 7.98 3.94 0.00 3.99 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 1032 N 8.04 4.65 0.00 2.69 2.87 0.00 0.00 7.01 6.94 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 1033 G 7.44 3.90 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 0.00 0.00 0.00 1034 D 8.56 4.62 0.00 2.63 2.67 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 0.00 0.00 0.00 0.00 1035 N 7.91 4.94 0.00 2.70 3.02 0.00 0.00 6.73 6.74 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 1036 L 7.94 4.81 0.00 1.69 1.73 0.99 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 1037 E 9.50 5.11 0.00 1.99 1.87 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 2.30 2.66 0.00 1038 F 8.46 5.07 0.00 2.53 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 0.00 0.00 0.00 1039 E 8.61 5.15 0.00 2.11 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 2.12 2.33 0.00 1040 V 8.82 4.58 1.98 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 0.47 0.00 0.00 0.94 0.00 0.00 1041 S 8.89 5.01 0.00 3.71 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 1042 F 9.05 4.90 0.00 3.10 3.14 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 1043 K 8.51 4.18 0.00 1.93 1.88 0.00 1.89 0.00 0.00 1.80 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.55 1.51 7.81 1044 N 8.96 4.84 0.00 2.72 2.83 0.00 0.00 6.87 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1045 I 8.29 4.69 1.97 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.84 1.02 0.00 0.00 1046 N 8.48 4.95 0.00 3.08 3.11 0.00 0.00 5.56 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 1047 Y 8.73 3.10 0.00 3.01 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1048 P 0.00 4.10 0.00 2.30 2.36 0.00 3.84 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.13 0.00 1049 N 8.27 4.34 0.00 2.92 2.91 0.00 0.00 6.59 7.89 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 1050 F 8.00 4.05 0.00 2.83 2.57 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 0.00 1051 M 7.60 3.43 0.00 1.77 1.31 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.49 0.00 1052 R 7.64 3.73 0.00 1.91 1.96 0.00 3.08 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 1053 I 7.82 3.63 1.87 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 1.44 0.48 0.99 0.00 0.00 1054 T 7.57 3.72 3.63 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 0.71 0.00 0.00 1055 E 7.96 3.88 0.00 1.96 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 2.21 2.19 0.00 1056 H 7.86 3.89 0.00 3.17 3.14 0.00 5.78 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1057 Y 7.53 3.63 0.00 1.88 1.43 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 1058 I 7.41 3.96 1.99 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.82 0.95 0.00 0.00 1059 N 7.92 4.40 0.00 2.72 2.78 0.00 0.00 7.22 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 1060 I 7.30 4.10 1.76 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.64 0.64 0.00 0.00 1061 T 7.10 4.64 4.55 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 1.42 0.00 0.00 1062 P 0.00 4.49 0.00 2.43 2.20 0.00 3.77 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 2.11 2.01 0.00 1063 E 8.99 3.99 0.00 2.07 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 0.00 2.45 2.36 0.00 1064 N 8.15 4.56 0.00 2.83 2.95 0.00 0.00 5.92 7.13 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 1065 K 8.36 4.56 0.00 1.88 2.03 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.82 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.57 7.81 1066 I 7.48 4.78 1.90 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.90 0.80 0.00 0.00 1067 E 8.90 4.76 0.00 1.91 1.64 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 2.11 2.15 0.00 1068 S 8.66 5.10 0.00 3.61 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 1069 N 8.97 5.18 0.00 2.79 2.99 0.00 0.00 6.51 6.40 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 1070 N 8.85 5.36 0.00 2.64 2.73 0.00 0.00 6.77 7.46 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 1071 Y 8.09 4.76 0.00 2.29 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 0.00 0.00 0.00 0.00 1072 L 8.63 5.02 0.00 2.00 1.59 1.15 1.36 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 1073 D 9.13 5.29 0.00 2.63 2.51 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 1074 I 8.73 4.70 1.73 0.00 0.00 0.45 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 1091 Q 8.97 4.13 0.00 2.17 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.69 0.00 0.00 0.00 0.00 0.00 2.56 2.46 0.00 1092 E 8.25 3.99 0.00 2.08 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 0.00 2.43 2.41 0.00 1093 Q 8.77 4.07 0.00 2.35 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.58 0.00 0.00 0.00 0.00 0.00 2.52 2.58 0.00 1094 I 8.13 3.93 2.12 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.73 1.00 0.00 0.00 1095 G 8.19 3.66 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 0.00 0.00 0.00 1096 E 8.56 4.04 0.00 2.33 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 0.00 2.35 2.49 0.00 1097 F 8.67 4.26 0.00 3.36 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 1098 I 8.02 3.57 1.87 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 1.54 1.27 0.86 0.00 0.00 1099 T 7.62 3.86 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 1.14 0.00 0.00 1100 K 7.75 3.78 0.00 1.52 1.37 0.00 1.51 0.00 0.00 1.18 0.00 0.00 2.51 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.30 0.98 7.81 1101 F 7.54 4.51 0.00 2.46 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 1102 S 7.43 4.14 0.00 3.82 3.91 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 *1103 K 7.77 4.45 0.00 1.74 1.65 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.26 0.96 7.81 1104 A 7.53 4.38 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1105 S 8.33 4.60 0.00 4.11 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 1106 S 8.61 4.12 0.00 3.95 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 1107 N 8.14 4.35 0.00 2.82 2.84 0.00 0.00 7.18 8.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1108 D 8.05 4.50 0.00 3.00 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 1109 I 7.90 3.54 2.10 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.84 1.16 0.00 0.00 1110 S 8.25 4.14 0.00 4.01 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 1111 R 7.86 4.02 0.00 2.05 2.07 0.00 3.22 0.00 0.00 3.19 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.86 0.00 1112 Y 8.02 4.27 0.00 3.16 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 1113 I 8.03 3.57 2.05 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.89 0.99 0.00 0.00 1114 V 7.55 3.73 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 0.80 0.00 0.00 0.86 0.00 0.00 1115 S 7.57 4.26 0.00 4.09 4.10 0.00 0.00 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3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 1207 S 8.40 4.37 0.00 3.58 3.26 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 0.00 1208 N 8.71 4.66 0.00 2.41 2.57 0.00 0.00 6.66 7.11 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 1209 Y 8.10 4.99 0.00 3.13 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 1210 E 9.40 5.05 0.00 1.92 1.90 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 2.47 2.21 0.00 1211 L 8.44 5.25 0.00 1.83 1.62 0.83 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 1212 E 9.54 5.46 0.00 1.98 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 2.27 2.34 0.00 1213 L 9.13 5.20 0.00 1.94 1.67 0.99 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 1214 E 9.24 5.18 0.00 1.88 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 2.24 2.53 0.00 1215 L 8.62 4.81 0.00 0.92 1.35 0.08 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 1216 I 9.10 4.63 1.92 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.82 0.95 0.00 0.00 1217 N 8.07 5.13 0.00 2.83 2.73 0.00 0.00 6.97 7.61 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 1218 K 8.48 4.29 0.00 1.85 1.75 0.00 1.49 0.00 0.00 1.69 0.00 0.00 2.81 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.41 7.81 1219 I 7.90 4.62 1.83 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.52 0.90 0.00 0.00 1220 D 8.15 4.70 0.00 2.94 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 1221 I 7.98 3.73 1.62 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.51 0.67 0.00 0.00 1222 N 8.24 4.41 0.00 2.97 2.88 0.00 0.00 7.18 7.05 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 1223 T 8.49 3.89 4.37 0.00 0.00 0.00 0.00 0.00 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 1224 L 7.88 3.94 0.00 1.71 1.88 1.03 1.05 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 1225 E 8.51 3.88 0.00 2.13 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 0.00 2.24 2.13 0.00 1226 S 8.20 4.10 0.00 4.07 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 1227 E 8.35 3.99 0.00 2.19 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 2.54 2.50 0.00 1228 L 8.23 3.90 0.00 1.73 1.40 1.07 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 1229 L 8.18 4.11 0.00 1.79 1.72 0.86 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 1230 N 8.12 4.36 0.00 2.94 2.84 0.00 0.00 6.61 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 1231 V 7.48 3.61 1.56 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 0.16 0.00 0.00 0.85 0.00 0.00 1232 F 8.14 4.59 0.00 3.27 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 1233 M 8.23 4.15 0.00 2.07 2.24 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.88 2.63 0.00 1234 I 7.11 3.60 1.85 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.33 0.57 0.00 0.00 1235 I 7.71 3.88 2.19 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 1.51 0.57 1.05 0.00 0.00 1236 Q 8.19 4.22 0.00 2.20 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.96 0.00 0.00 0.00 0.00 0.00 2.46 2.49 0.00 1237 D 7.60 4.59 0.00 2.75 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 * Residues marked with a * may have inaccurate shift predictions.