NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1004 M 4.5100 8.1627 120.6287 55.1676 34.0443 174.1416 1005 R 4.0623 8.6154 126.9687 54.9968 30.9476 172.9438 1006 P 4.3820 0.0000 0.0000 63.3058 32.3049 174.7053 1007 E 4.8447 9.1116 122.1229 53.5982 33.6471 173.1978 1008 P 4.7746 0.0000 0.0000 62.7899 32.4122 175.9975 1009 R 4.4858 8.5054 121.2637 55.2329 34.2763 173.3363 1010 L 4.7707 8.6928 128.7766 54.8937 42.6847 175.5113 1011 I 5.3145 8.7031 118.9715 58.4464 42.2220 173.9547 1012 T 5.0391 8.8892 118.3613 61.8942 71.4070 173.4043 1013 I 5.1060 9.3820 128.0816 59.5288 39.8709 174.2505 1014 L 5.3064 9.1637 129.3546 53.2688 44.5200 174.5829 1015 F 5.2358 9.7493 129.0990 56.4336 42.0620 173.7864 1016 S 5.6091 8.7884 120.7965 57.0151 66.3523 172.6324 1017 D 5.2651 8.9629 119.6632 53.8050 44.9602 174.4185 1018 I 4.5981 8.1504 127.5699 61.1177 38.0280 175.8868 1019 V 3.8696 9.0586 127.2280 61.2246 32.3200 176.5132 1020 G 3.9993 8.7971 114.1496 46.4356 0.0000 175.0752 1021 F 4.2749 8.2286 122.3680 61.3134 40.3208 177.0250 1022 T 3.6968 8.1261 116.8998 66.6221 68.3787 176.2404 1023 R 3.4725 7.1663 120.3298 58.8224 30.0054 176.6848 1024 M 4.4974 7.3141 113.6935 54.8416 31.2419 177.3708 1025 S 3.8188 8.2680 116.0851 61.7626 64.0832 174.3416 1026 N 4.6710 7.6347 121.0408 50.5980 36.7880 172.6896 1027 A 4.4346 7.2856 123.7432 52.4697 25.3765 177.6735 1028 L 4.1152 7.8707 115.6587 54.3245 42.6898 177.6043 1029 Q 3.9274 7.9508 118.9638 54.6169 28.1379 174.1276 1030 S 4.0862 8.4914 112.9278 62.1901 62.4667 176.7763 1031 Q 4.0637 8.0378 121.0054 58.5812 28.4788 178.7470 1032 G 3.4648 8.3216 107.0812 47.5296 0.0000 175.6883 1033 V 3.5943 7.9327 120.9993 65.7388 31.4009 177.8189 1034 A 4.0057 7.8841 120.0330 55.4181 18.2996 179.4873 1035 E 3.9321 8.1041 116.9012 59.3270 29.5516 179.4346 1036 L 3.8020 8.1287 120.5695 58.1061 42.1862 178.8119 1037 L 3.9270 8.1141 119.0814 58.0208 41.5816 179.3764 1038 N 4.3333 8.4660 116.4272 56.3467 38.5301 177.4031 1039 E 4.0048 8.4581 119.8682 59.5430 29.6088 178.5569 1040 Y 4.1758 8.8167 119.8616 60.9908 38.8233 178.1668 1041 L 3.6239 8.4958 120.2149 57.5347 41.6146 179.6776 1042 G 3.6163 7.9569 105.4763 47.9135 0.0000 175.3699 1043 E 3.8510 7.9122 121.5385 59.1733 29.6825 179.3708 1044 M 3.8175 7.6877 118.7863 58.6839 31.9748 179.0763 1045 T 3.9762 8.1327 110.0104 64.5592 68.8499 176.6388 1046 R 3.8839 7.8826 121.5729 59.1756 29.6484 178.1589 1047 A 4.0167 8.0320 120.6117 55.4290 18.2945 179.8671 1048 V 3.4819 7.7857 116.2658 65.8643 31.6716 178.1594 1049 F 4.0186 8.3421 120.5862 61.2982 39.1973 176.8337 1050 E 4.2779 8.7200 115.9951 57.8338 29.1999 177.1628 1051 N 4.9230 7.3160 116.0742 52.8390 39.2590 174.4283 1052 Q 3.2729 7.7135 113.7818 56.7756 27.0026 174.0784 1053 G 3.4569 7.9947 104.4915 45.3412 0.0000 173.9466 1054 T 4.5358 7.9167 117.5197 61.2506 70.8730 174.1635 1055 V 3.9280 8.3288 127.3897 62.9560 31.7045 175.2026 1056 D 4.5945 9.5482 129.7222 55.5967 41.9960 175.9183 1057 K 4.0721 7.1879 114.9493 56.6532 35.1127 172.6072 1058 F 5.4113 8.4144 118.7418 56.0887 41.4876 176.8337 1059 V 4.4477 8.6122 120.6882 61.1075 32.7519 176.4171 1060 G 4.0650 8.0969 118.5686 45.9929 0.0000 171.4188 1061 D 4.3896 8.7325 123.9075 52.3997 39.5066 174.8018 1062 A 5.1797 7.5514 121.7694 50.8279 21.9656 176.5377 1063 I 4.9822 8.7303 120.6407 59.5965 41.6003 174.2505 1064 M 4.7449 8.6174 124.8975 53.5832 34.7251 174.1243 1065 A 5.2554 9.2318 127.6989 50.0947 22.8450 174.6037 1066 L 5.2801 8.7569 119.4419 53.1628 45.9749 175.4892 1067 Y 4.5278 9.1463 119.0124 57.5024 41.4754 175.9360 1068 G 4.3245 9.5887 112.5738 44.8022 0.0000 172.7966 1069 A 4.4845 7.3661 118.1200 50.5184 21.6346 175.5270 1070 P 4.5346 0.0000 0.0000 65.6272 31.6776 177.3879 1071 E 4.0657 7.8716 118.1494 55.5196 29.9067 176.5944 1072 E 4.1504 8.5569 122.8947 57.2668 30.2235 176.0827 1073 M 4.4303 7.8891 116.5832 53.3723 35.1978 175.3911 1074 S 4.3220 8.2946 120.8645 57.5262 65.1202 173.4048 1075 P 4.1057 0.0000 0.0000 66.0204 31.2614 179.1615 1076 S 3.0317 7.5303 112.1773 60.9822 62.8121 176.1721 1077 E 3.8499 7.7501 122.2668 59.1468 29.1135 178.9236 1078 Q 4.0145 8.0280 118.2482 59.2230 28.8235 179.6577 1079 V 3.4592 7.2007 118.5458 65.9731 31.5351 178.0116 1080 R 3.8563 7.6414 117.3491 59.5508 29.8947 179.2469 1081 R 3.8720 8.1781 117.6462 59.1222 30.0683 179.0943 1082 A 2.9901 7.6304 120.6262 54.9079 18.2988 179.8242 1083 I 3.6455 8.2539 118.4829 64.2671 37.0442 178.5363 1084 A 3.9800 8.3224 122.0996 55.3895 18.2238 179.6726 1085 T 3.8149 8.1044 114.1943 66.8410 68.4411 176.5165 1086 A 4.1383 8.0308 122.4146 55.3996 18.4984 179.9522 1087 R 3.9300 8.1880 116.4972 59.5286 30.0995 179.1437 1088 Q 4.0480 8.4592 119.5487 59.2653 28.9831 178.1637 1089 M 4.0460 8.2012 120.0076 58.3613 31.7757 178.6810 1090 L 4.2626 7.7194 118.0680 57.7193 42.1106 179.3080 1091 V 3.9150 7.7405 117.4875 66.2462 31.5097 178.0520 1092 A 4.0016 8.3055 120.4516 54.9225 18.0876 179.3302 1093 L 3.9812 8.0682 119.1158 58.1055 42.0298 178.9165 1094 E 3.9488 8.0471 118.7178 59.4130 29.4094 179.3272 1095 K 3.8346 7.9155 117.6764 59.4519 32.1524 179.1289 1096 L 3.2553 7.6640 119.0054 57.6641 41.3230 179.3482 1097 N 4.5612 7.9442 116.2007 56.7361 38.4946 176.9106 1098 Q 4.2317 8.2473 119.5081 59.0042 28.5697 179.0624 1099 G 3.7895 8.0644 106.6433 48.1305 0.0000 175.0600 1100 W 4.6480 8.3606 122.1762 59.6948 29.0976 177.7774 1101 Q 4.2634 9.0174 120.2954 59.3214 29.4670 176.8493 1102 E 4.6742 8.2959 120.6090 54.5908 26.2285 176.3751 1103 R 4.4671 7.8068 116.1841 56.3126 36.1021 174.6017 1104 G 4.1066 8.3576 105.2537 45.7733 0.0000 174.6190 1105 L 3.9509 7.8247 118.4114 57.4866 41.4880 177.5092 1106 V 4.3448 7.3501 108.6023 60.2564 34.8274 176.7338 1107 G 4.1293 8.7241 106.7616 46.2949 0.0000 174.5833 1108 R 4.0054 7.3730 120.1127 56.9954 30.4689 174.4834 *1112 P 4.2502 0.0000 0.0000 61.3726 32.3096 174.2801 1113 P 4.4889 0.0000 0.0000 62.3529 31.9001 176.4348 1114 V 3.8623 8.2066 120.7063 63.3064 32.2683 175.5909 1115 R 5.0872 8.4395 124.2980 54.6521 34.8688 173.7664 1116 F 5.4617 8.3384 114.7965 55.6770 42.1259 173.2982 1117 R 4.9772 9.5808 118.3996 54.8615 33.4646 174.9270 1118 C 5.4490 8.6834 120.0834 58.0813 35.3198 172.9281 1119 G 4.6205 9.8415 113.5898 44.6152 0.0000 172.0263 1120 I 5.4070 8.6366 122.5972 59.8104 41.5132 173.8422 1121 H 5.2144 9.3978 126.0166 54.4277 33.6952 171.4603 1122 Q 4.9712 8.1373 125.2641 54.1921 31.5549 174.5011 1123 G 4.0267 8.5017 112.3048 46.0099 0.0000 172.2339 1124 M 4.9625 8.8458 119.2197 55.7102 32.8521 176.0825 1125 A 4.4727 8.2412 119.4808 51.3323 23.7442 175.7305 1126 V 4.3281 8.3397 121.0178 62.2995 32.8343 175.0122 1127 V 4.6405 10.2101 128.9884 60.0838 34.1050 176.1804 1128 G 3.9283 7.0403 113.3700 45.5496 0.0000 170.2479 1129 L 4.7094 7.5043 121.6060 53.9405 42.3244 176.2056 1130 F 4.8757 8.9093 121.8020 55.4009 43.4955 176.0183 1131 G 4.1873 8.7859 107.9945 44.5622 0.0000 176.4517 1132 S 4.8389 8.7995 119.0082 56.1157 65.7741 172.7858 1133 Q 4.4817 8.3966 117.5682 55.9559 28.7997 176.7243 1134 E 4.6115 8.0177 114.7878 57.0821 34.6843 175.4236 1135 R 4.4612 8.1685 127.1963 53.4125 31.0763 173.9746 1136 S 5.2497 8.3367 118.5991 56.7489 66.5775 172.9942 1137 D 4.9251 8.9100 119.4662 52.5137 45.6718 174.5073 1138 F 4.7428 8.9158 124.3798 58.7193 40.1992 174.0942 1139 T 5.2946 8.8428 119.6106 61.9442 71.4888 171.3358 1140 A 5.1991 8.4968 123.9925 50.0470 21.7303 175.8131 1141 I 4.3092 8.9127 121.1486 59.8994 40.9262 174.6474 1142 G 4.3647 8.9334 110.0176 42.5420 0.0000 172.9883 1143 P 4.2012 0.0000 0.0000 66.0231 30.8701 178.4099 1144 S 4.2146 8.2762 114.3153 61.8766 62.6919 176.9459 1145 V 3.6455 7.5942 120.2605 65.7558 31.2499 177.5791 1146 N 4.1207 8.0180 116.3194 56.7395 38.8199 176.4482 1147 I 3.5544 7.6661 120.8846 64.4251 37.1872 178.1835 1148 A 3.9885 7.9381 121.0238 55.1639 18.2838 179.5708 1149 A 3.3094 7.5616 119.1474 55.0952 18.4028 180.0922 1150 R 3.9788 8.4034 116.8855 59.4178 29.6566 179.2219 1151 L 3.9985 8.2353 119.1818 57.8677 41.3472 179.3768 1152 Q 4.0672 7.7731 118.6894 59.2570 29.1036 177.8638 1153 E 4.1710 8.0148 117.9919 58.3264 29.6878 178.1311 1154 A 4.3426 7.6513 118.9795 52.5746 19.4249 177.4281 1155 T 4.1149 6.8229 110.6685 61.1078 68.0271 174.0744 1156 A 4.2991 7.9022 127.1273 50.5611 19.1943 175.6054 1157 P 4.2045 0.0000 0.0000 64.4260 31.5126 175.8253 1158 N 3.8527 8.6708 117.4813 54.3224 36.2897 174.1359 1159 S 4.7680 7.4832 109.6956 56.5983 67.3069 172.5615 1160 I 4.9528 8.2339 121.3304 59.8752 39.6627 174.0417 1161 M 5.1841 9.1021 127.3552 53.8538 34.9673 174.8656 1162 V 5.4813 9.2962 118.1742 58.3711 36.8677 175.1997 1163 S 4.8004 8.4899 116.1149 57.1575 64.4527 175.0835 1164 A 3.9622 8.3748 122.0279 55.5261 17.6893 179.7133 1165 M 4.0498 7.4760 116.4508 57.6787 32.2201 178.3722 1166 V 4.1062 7.5402 117.7229 65.1858 32.3386 177.5678 1167 A 4.1104 8.1081 120.5173 54.7332 17.9403 178.9328 1168 Q 4.0052 7.5638 114.5283 58.0599 28.6306 176.3453 1169 Y 4.6743 7.6302 116.8688 57.7103 39.7019 175.7831 1170 V 4.0521 7.5642 120.4085 60.7905 32.7003 173.8208 1171 P 4.2857 0.0000 0.0000 62.9077 31.8823 176.4371 1172 D 4.3726 9.0548 123.9648 57.3955 41.1873 178.6156 1173 E 3.9826 8.1824 114.5140 58.6853 29.6725 177.0674 1174 E 4.3079 8.7592 118.9998 56.2826 29.7429 175.3728 1175 I 4.5079 7.6811 121.5520 60.1919 37.3834 175.7631 1176 I 4.0577 8.7376 128.0425 63.6802 37.8904 176.7017 1177 K 4.3982 7.5980 119.9146 55.4037 35.5365 174.2127 1178 R 5.0060 8.6556 125.6690 54.4630 32.5554 174.7082 1179 E 4.7136 8.7535 124.5326 54.5983 33.7634 173.8902 1180 F 4.7191 8.9104 125.3594 57.1261 39.7957 174.8195 1181 L 4.9468 8.9175 123.1805 52.6426 46.1178 175.0122 1182 E 4.6490 8.7009 121.5334 55.3062 30.6846 175.3375 1183 L 4.6084 8.3666 126.6571 52.2921 43.7080 175.7182 1184 K 3.8584 8.6511 124.7691 58.4428 32.3379 176.1144 1185 G 3.9521 9.1356 113.8583 44.9718 0.0000 173.0120 1186 I 4.3097 7.4229 120.4989 59.4383 37.9043 175.1823 1187 D 4.4881 8.9076 126.3810 56.9221 40.9279 177.0249 1188 E 4.5490 7.8052 116.8276 53.9824 30.9615 174.1155 1189 P 4.6013 0.0000 0.0000 63.2795 32.2005 175.7050 1190 V 4.5110 8.8866 123.2781 61.1042 34.4039 174.4579 1191 M 3.4235 8.3070 126.8493 55.4431 32.5155 175.1782 1192 T 4.7757 8.3979 117.0280 60.0912 72.2101 173.2710 1193 C 5.0874 9.2840 121.0821 58.0900 32.0159 173.1824 1194 V 4.4585 8.7561 125.5351 62.0794 32.2942 174.8786 1195 I 4.8653 8.4419 122.1132 58.7433 39.9280 175.0637 1196 N 4.4040 9.1340 124.0404 53.4791 38.9183 173.2048 1197 P 4.5112 0.0000 0.0000 63.9480 31.5042 175.3124 1198 N 5.0181 8.3213 115.5921 51.7630 42.8783 174.0925 1199 M 5.1624 8.4872 117.5683 55.6854 32.2776 176.0039 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 1004 M 8.16 4.51 0.00 2.49 2.17 0.00 0.00 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.62 0.00 1005 R 8.62 4.06 0.00 1.92 1.78 0.00 3.38 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.64 0.00 1006 P 0.00 4.38 0.00 1.72 1.43 0.00 3.48 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.37 0.00 1007 E 9.11 4.84 0.00 1.98 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 0.00 2.34 2.28 0.00 1008 P 0.00 4.77 0.00 1.98 2.04 0.00 3.73 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 1009 R 8.51 4.49 0.00 1.89 1.73 0.00 3.12 0.00 0.00 3.12 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.55 0.00 1010 L 8.69 4.77 0.00 1.71 1.60 0.96 1.00 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 1011 I 8.70 5.31 2.05 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 2.02 0.96 0.00 0.00 1012 T 8.89 5.04 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 1.20 0.00 0.00 1013 I 9.38 5.11 2.02 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 1.22 1.12 1.15 0.00 0.00 1014 L 9.16 5.31 0.00 1.86 1.79 1.04 1.06 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 1015 F 9.75 5.24 0.00 3.18 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 1016 S 8.79 5.61 0.00 3.78 3.92 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 1017 D 8.96 5.27 0.00 3.03 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.15 4.60 1.97 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.30 0.99 0.00 0.00 1019 V 9.06 3.87 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 0.76 0.00 0.00 0.96 0.00 0.00 1020 G 8.80 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 1021 F 8.23 4.27 0.00 3.13 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 1022 T 8.13 3.70 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 1.18 0.00 0.00 1023 R 7.17 3.47 0.00 1.71 2.11 0.00 3.23 0.00 0.00 3.25 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.60 0.00 1024 M 7.31 4.50 0.00 1.97 1.93 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.51 0.00 1025 S 8.27 3.82 0.00 3.79 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 1026 N 7.63 4.67 0.00 2.64 2.74 0.00 0.00 6.75 7.96 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 1027 A 7.29 4.43 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 1028 L 7.87 4.12 0.00 1.65 1.54 0.67 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 1029 Q 7.95 3.93 0.00 2.20 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 6.84 0.00 0.00 0.00 0.00 0.00 2.29 2.24 0.00 1030 S 8.49 4.09 0.00 4.04 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 1031 Q 8.04 4.06 0.00 2.14 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.95 0.00 0.00 0.00 0.00 0.00 2.44 2.48 0.00 1032 G 8.32 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 0.00 0.00 0.00 1033 V 7.93 3.59 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 1.31 0.00 0.00 0.78 0.00 0.00 1034 A 7.88 4.01 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.10 3.93 0.00 2.04 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.55 0.00 1036 L 8.13 3.80 0.00 1.35 1.59 0.11 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 1037 L 8.11 3.93 0.00 2.00 1.67 0.86 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 1038 N 8.47 4.33 0.00 2.81 2.90 0.00 0.00 7.09 8.22 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 1039 E 8.46 4.00 0.00 2.62 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 0.00 2.46 2.77 0.00 1040 Y 8.82 4.18 0.00 3.40 3.24 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 0.00 1041 L 8.50 3.62 0.00 1.49 1.11 0.41 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 1042 G 7.96 3.62 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 0.00 1043 E 7.91 3.85 0.00 1.98 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 2.25 2.38 0.00 1044 M 7.69 3.82 0.00 1.61 1.60 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 1.56 0.00 1045 T 8.13 3.98 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 1.56 0.00 0.00 1046 R 7.88 3.88 0.00 2.01 2.16 0.00 3.09 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 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3.13 0.00 0.00 3.41 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.84 0.00 1116 F 8.34 5.46 0.00 3.28 3.20 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 1117 R 9.58 4.98 0.00 1.87 1.98 0.00 3.34 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 1.62 0.00 1118 C 8.68 5.45 0.00 3.45 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 1119 G 9.84 4.62 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 0.00 1120 I 8.64 5.41 1.91 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.31 0.92 0.00 0.00 1121 H 9.40 5.21 0.00 3.23 3.13 0.00 5.72 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 1122 Q 8.14 4.97 0.00 2.09 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.74 0.00 0.00 0.00 0.00 0.00 2.25 2.54 0.00 1123 G 8.50 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1124 M 8.85 4.96 0.00 1.94 2.04 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.52 0.00 1125 A 8.24 4.47 1.24 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 0.00 0.00 0.00 1126 V 8.34 4.33 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.99 0.00 0.00 1127 V 10.21 4.64 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 0.75 0.00 0.00 0.98 0.00 0.00 1128 G 7.04 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1129 L 7.50 4.71 0.00 1.57 1.60 0.95 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 1130 F 8.91 4.88 0.00 3.08 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 1131 G 8.79 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 0.00 0.00 0.00 0.00 1132 S 8.80 4.84 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 1133 Q 8.40 4.48 0.00 2.07 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.85 0.00 0.00 0.00 0.00 0.00 2.33 2.34 0.00 1134 E 8.02 4.61 0.00 2.02 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 0.00 2.18 2.30 0.00 1135 R 8.17 4.46 0.00 1.91 1.83 0.00 3.10 0.00 0.00 3.23 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 1136 S 8.34 5.25 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 1137 D 8.91 4.93 0.00 2.62 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 1138 F 8.92 4.74 0.00 3.03 2.99 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 1139 T 8.84 5.29 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 1140 A 8.50 5.20 1.17 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 1141 I 8.91 4.31 1.63 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.05 -0.18 0.72 0.00 0.00 1142 G 8.93 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 0.00 0.00 0.00 0.00 1143 P 0.00 4.20 0.00 2.27 2.32 0.00 3.73 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.07 0.00 1144 S 8.28 4.21 0.00 3.93 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1145 V 7.59 3.65 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 1.10 0.00 0.00 1.01 0.00 0.00 1146 N 8.02 4.12 0.00 2.77 2.90 0.00 0.00 7.18 7.82 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 1147 I 7.67 3.55 1.83 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.65 0.69 0.00 0.00 1148 A 7.94 3.99 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1149 A 7.56 3.31 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1150 R 8.40 3.98 0.00 1.72 1.94 0.00 3.43 0.00 0.00 3.33 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.71 0.00 1151 L 8.24 4.00 0.00 1.86 1.73 0.95 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 1152 Q 7.77 4.07 0.00 2.36 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.03 0.00 0.00 0.00 0.00 0.00 2.55 2.95 0.00 1153 E 8.01 4.17 0.00 2.12 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.54 0.00 1154 A 7.65 4.34 1.35 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 0.00 0.00 1155 T 6.82 4.11 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 1.32 0.00 0.00 1156 A 7.90 4.30 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 1157 P 0.00 4.20 0.00 2.17 2.08 0.00 3.92 0.00 0.00 3.65 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 1158 N 8.67 3.85 0.00 2.76 2.81 0.00 0.00 6.75 7.14 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 1159 S 7.48 4.77 0.00 3.82 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 1160 I 8.23 4.95 1.88 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 1.28 0.77 0.95 0.00 0.00 1161 M 9.10 5.18 0.00 2.06 1.88 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.46 0.00 1162 V 9.30 5.48 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 1.03 0.00 0.00 1.01 0.00 0.00 1163 S 8.49 4.80 0.00 4.05 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 1164 A 8.37 3.96 1.28 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 1165 M 7.48 4.05 0.00 2.03 2.16 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.62 0.00 1166 V 7.54 4.11 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 1.11 0.00 0.00 1.04 0.00 0.00 1167 A 8.11 4.11 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 1168 Q 7.56 4.01 0.00 1.85 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.64 0.00 0.00 0.00 0.00 0.00 1.86 1.16 0.00 1169 Y 7.63 4.67 0.00 3.07 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 1170 V 7.56 4.05 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 0.77 0.00 0.00 1.03 0.00 0.00 1171 P 0.00 4.29 0.00 2.22 1.98 0.00 3.89 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 1172 D 9.05 4.37 0.00 2.74 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 1173 E 8.18 3.98 0.00 2.11 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 2.28 2.29 0.00 1174 E 8.76 4.31 0.00 2.09 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.38 0.00 1175 I 7.68 4.51 1.92 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 0.77 0.92 0.00 0.00 1176 I 8.74 4.06 1.97 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 1.11 0.52 0.90 0.00 0.00 1177 K 7.60 4.40 0.00 1.77 1.56 0.00 1.65 0.00 0.00 1.81 0.00 0.00 2.79 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.35 1.41 7.81 1178 R 8.66 5.01 0.00 1.67 1.76 0.00 3.23 0.00 0.00 3.12 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.55 0.00 1179 E 8.75 4.71 0.00 2.02 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.34 0.00 1180 F 8.91 4.72 0.00 3.02 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 1181 L 8.92 4.95 0.00 1.55 1.53 0.91 0.69 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 1182 E 8.70 4.65 0.00 2.00 1.86 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 2.26 2.34 0.00 1183 L 8.37 4.61 0.00 1.69 1.51 0.88 0.82 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 1184 K 8.65 3.86 0.00 1.69 1.73 0.00 1.75 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.46 7.81 1185 G 9.14 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 0.00 0.00 0.00 1186 I 7.42 4.31 1.96 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.91 0.96 0.00 0.00 1187 D 8.91 4.49 0.00 2.66 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 1188 E 7.81 4.55 0.00 1.95 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 2.25 2.36 0.00 1189 P 0.00 4.60 0.00 1.99 2.12 0.00 3.61 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.12 0.00 1190 V 8.89 4.51 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 0.94 0.00 0.00 0.98 0.00 0.00 1191 M 8.31 3.42 0.00 1.77 1.30 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.41 0.00 1192 T 8.40 4.78 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 1.21 0.00 0.00 1193 C 9.28 5.09 0.00 2.77 2.80 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 1194 V 8.76 4.46 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 0.89 0.00 0.00 0.92 0.00 0.00 1195 I 8.44 4.87 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.80 0.96 0.00 0.00 1196 N 9.13 4.40 0.00 2.82 2.89 0.00 0.00 7.17 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1197 P 0.00 4.51 0.00 2.20 2.12 0.00 3.78 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.97 0.00 1198 N 8.32 5.02 0.00 2.79 2.70 0.00 0.00 6.85 8.05 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 1199 M 8.49 5.16 0.00 1.95 1.95 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.56 0.00 * Residues marked with a * may have inaccurate shift predictions.