NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1002 V 4.0652 8.0549 120.3945 61.7676 33.6748 174.5681 1003 N 4.9212 7.6524 117.5756 50.1491 40.8859 172.1087 1004 P 4.4532 0.0000 0.0000 63.1088 33.5000 174.9960 1005 T 5.2831 8.3179 118.9521 61.0708 71.7278 173.5043 1006 V 5.0828 8.4057 118.5933 59.7047 36.4049 173.9163 1007 F 5.4425 9.1283 115.6264 56.1138 41.8718 173.2700 1008 F 5.6598 9.6453 117.8483 56.1557 42.9505 174.0059 1009 D 5.2491 10.5531 124.6473 53.1607 41.9718 175.7076 1010 I 4.7896 8.8389 125.9038 60.6711 38.9705 175.2308 1011 A 4.9407 9.2293 128.0256 50.1743 22.2376 175.0427 1012 V 4.1939 8.4315 123.5119 61.1897 32.0150 175.4630 1013 D 4.3119 9.2565 131.0033 55.4709 38.6135 174.4287 1014 G 4.2693 8.5259 110.4181 45.6154 0.0000 174.1746 1015 E 3.9974 7.8596 122.2744 54.6470 29.8756 174.2076 1016 P 4.7651 0.0000 0.0000 63.2929 32.0178 174.8905 1017 L 4.4823 9.4606 121.7860 54.9918 44.0689 176.4262 1018 G 4.0448 7.2995 104.6350 46.4920 0.0000 170.8217 1019 R 5.3355 7.7897 119.7882 54.6408 32.9859 175.4221 1020 V 4.5981 8.7776 123.7640 60.2266 34.3670 174.6732 1021 S 4.9599 8.5402 120.6454 56.9470 65.7192 173.0461 1022 F 5.2120 8.8234 118.4020 55.7758 43.9328 173.1471 1023 E 4.8707 8.6043 121.3621 54.4429 32.0113 174.5221 1024 L 4.0924 8.3106 127.2949 52.4709 42.9899 178.0082 1025 F 4.7338 7.4231 126.3995 56.1115 37.3737 176.1213 1026 A 4.0589 8.2854 126.9260 55.1697 19.0960 180.1746 1027 D 4.5183 8.5056 114.3729 56.6517 39.3912 178.2530 1028 K 4.1981 8.0831 118.1155 58.6589 32.7547 178.3562 1029 V 4.8129 7.6894 111.8703 58.1991 33.4915 173.0477 1030 P 4.2123 0.0000 0.0000 65.2041 31.1458 178.5294 1031 K 3.9827 8.3336 118.6521 59.1298 31.9138 178.9526 1032 T 4.2677 8.2707 115.9449 66.4005 68.7254 176.3548 1033 A 4.2286 9.1984 123.7792 55.6209 18.4305 179.3693 1034 E 4.0103 8.8543 116.5298 59.2754 29.5942 179.4355 1035 N 4.2743 7.9743 115.8403 56.8363 38.9842 176.7346 1036 F 4.3483 8.3786 122.1605 61.2428 39.6113 177.1196 1037 R 3.9482 8.2330 117.8483 59.5116 29.9876 178.4510 1038 A 4.0040 8.7272 120.7960 54.2665 18.1010 178.5129 1039 L 4.2999 7.8708 115.6156 55.2608 41.8040 178.1371 1040 S 4.5484 7.5648 115.4560 59.8580 63.9055 175.6348 1041 T 4.1767 7.7085 110.7161 61.1815 69.9811 174.5622 1042 G 3.4968 7.9750 107.9886 45.6227 0.0000 174.0824 1043 E 3.8866 7.9817 120.9475 59.3176 30.0330 180.1086 1044 K 3.6396 7.1575 115.6698 57.1191 32.2312 177.7833 1045 G 4.0202 7.6143 108.4541 44.7628 0.0000 173.4271 1046 F 4.3640 6.1314 111.2058 54.8895 39.9550 173.9756 1047 G 3.3295 6.6103 108.4983 46.0170 0.0000 171.6719 1048 Y 4.2595 8.1326 116.3533 58.9909 37.9531 175.8644 1049 K 4.0729 7.8055 121.4515 58.7368 32.2676 175.3193 1050 G 4.1182 9.2017 116.1569 45.4586 0.0000 173.6351 1051 S 4.6853 8.1539 114.1885 58.4562 64.6277 173.0053 1052 C 4.9809 8.4717 114.9737 56.7736 32.8636 173.9346 1053 F 4.5966 9.1664 118.9044 56.0386 37.2680 176.0231 1054 H 4.4300 8.7049 119.5697 57.5328 29.4721 175.5217 1055 R 4.8041 7.9308 119.6155 54.7142 33.2989 174.0558 1056 I 4.9175 9.2791 127.9371 59.7229 41.0074 175.0971 1057 I 4.3925 8.3944 128.6559 58.5681 38.2110 173.3598 1058 P 4.8110 0.0000 0.0000 63.6056 31.4603 177.3720 1059 G 4.0397 8.6688 110.1913 45.7214 0.0000 172.8104 1060 F 5.0233 7.7880 118.9150 59.4901 42.5365 173.6839 *1062 C 4.7705 7.5778 114.5838 59.7364 30.0041 171.8354 1063 Q 5.0019 9.7462 126.6487 54.7228 31.3417 174.8229 1064 G 3.2195 7.7650 111.8926 45.7215 0.0000 173.2496 1065 G 4.6688 8.9217 108.1894 46.5928 0.0000 174.0307 1066 D 4.4567 7.5233 120.5694 52.9116 39.5704 176.0946 1067 F 4.3444 7.5517 116.9549 57.5990 38.9725 177.5182 1068 T 4.2864 7.4239 111.0938 63.6532 69.3180 176.0166 1069 R 4.1293 8.1809 121.5710 55.4897 30.8521 178.1323 1070 H 4.5962 8.8108 111.0836 55.9446 26.4046 174.5462 1071 N 4.7110 7.7197 114.2235 52.0912 37.7237 175.3755 1072 G 3.8667 8.3801 107.4310 45.6927 0.0000 175.0369 1073 T 4.0937 7.6858 109.1304 63.0081 69.7078 174.1606 1074 G 3.9623 7.9956 109.7422 42.9619 0.0000 170.4964 1075 G 3.3850 7.5219 109.0461 45.0413 0.0000 173.6727 1076 K 4.5565 7.5133 124.3235 54.6339 34.8219 176.2664 1077 S 4.7710 8.4864 115.9088 57.7136 63.9295 175.2590 1078 I 4.0863 7.7093 113.5578 62.9872 37.3687 176.0186 1079 Y 4.7058 7.0306 119.5684 57.7504 38.8760 177.0697 1080 G 4.0716 8.0561 108.8599 45.4696 0.0000 173.2571 1081 E 4.2049 8.6434 122.2543 56.7397 28.9384 180.5898 1082 K 4.9284 8.7927 118.9739 55.9876 35.5122 174.3705 1083 F 5.1157 8.5546 113.4320 55.4006 41.1487 173.8557 1084 E 4.2143 9.1065 120.1874 56.5462 30.1663 176.4911 1085 D 4.1654 8.5139 121.3305 54.3705 41.0807 175.8867 1086 E 3.9704 8.9788 126.2180 57.9239 29.6574 175.9912 1087 N 4.0686 6.5649 111.5276 52.9786 39.3112 173.3687 1088 F 4.9557 8.3482 114.6821 57.1679 39.8233 176.9128 1089 I 3.9366 9.1266 123.9075 64.0243 37.4779 177.5119 1090 L 4.4454 7.7440 118.5582 53.6433 42.6241 176.1976 1091 K 4.6734 8.3270 121.3463 55.5028 34.1769 176.8934 1092 H 4.7423 9.0019 118.2209 54.7805 27.2091 176.0062 1093 T 4.0353 8.1874 112.7790 61.9817 69.6746 175.6571 1094 G 3.9200 7.5448 108.3062 45.0886 0.0000 169.2519 1095 P 4.3726 0.0000 0.0000 64.1700 31.8703 176.2358 1096 G 4.0973 9.7382 111.7314 45.4721 0.0000 173.7661 1097 I 4.0651 7.5368 121.4828 61.7353 38.3592 174.9099 1098 L 4.7395 9.2615 130.8580 52.5014 43.5733 174.6803 1099 S 5.0196 8.3354 121.8479 57.2932 64.8337 176.3709 *1101 A 4.5928 8.9309 120.6229 52.0017 17.8039 176.1189 1102 N 4.9463 8.7628 117.9122 51.4993 40.0063 175.6561 1103 A 4.5856 9.2726 119.9917 50.7331 18.6009 175.7748 1104 G 3.9201 8.2343 110.9262 43.2551 0.0000 169.6970 1105 P 4.2326 0.0000 0.0000 64.4397 31.5215 175.9451 1106 N 4.3390 8.7451 118.2267 54.7304 36.7499 174.6714 1107 T 4.5665 7.4162 102.2581 60.8769 69.2323 173.5302 1108 N 4.7953 7.8093 119.6704 52.9263 41.0340 174.4156 1109 G 3.9585 9.0981 110.6010 45.3446 0.0000 173.0632 1110 S 5.0193 9.0191 120.2608 57.8360 66.2557 175.9458 1111 Q 4.6815 8.2895 120.0554 56.0936 29.4549 175.1414 1112 F 5.5232 8.3144 117.2093 55.8196 42.6089 172.8525 1113 F 6.1983 8.9419 112.7570 55.1716 41.3968 173.4220 1114 I 4.8816 8.7054 122.3797 59.9690 38.5728 175.2278 1115 C 4.6068 9.0437 126.3460 59.6344 29.1498 174.2919 1116 T 4.7904 8.2780 113.6581 60.7926 69.1095 173.6707 1117 A 4.2963 7.5576 122.6823 52.0967 21.4037 176.7335 1118 K 4.1035 8.8802 121.6758 56.8518 33.0346 177.6638 1119 T 3.1502 7.6289 118.3901 59.0781 68.2479 174.4796 1120 E 3.9988 7.8545 124.5566 59.6302 30.2210 180.0827 1121 W 4.3843 8.1840 115.1371 58.5023 28.5048 176.6812 1122 L 4.2057 7.4076 118.7897 55.7034 41.4764 176.1112 1123 D 4.5654 7.7792 119.7756 56.7719 40.6305 175.9503 1124 G 3.9748 9.2298 113.2945 45.1288 0.0000 173.8716 1125 K 3.9975 7.6297 117.1256 56.6567 33.4082 176.3598 1126 H 5.0703 8.0116 114.6515 53.5694 31.7155 173.3725 1127 V 3.7046 8.5498 123.3485 62.6145 30.6866 174.8504 1128 V 4.1242 8.2823 128.1427 62.6095 32.1022 175.4661 1129 F 5.0083 9.3939 119.5690 56.0735 40.3286 173.8214 1130 G 2.9963 7.2790 105.7233 46.0174 0.0000 172.0955 1131 K 4.9543 7.3075 118.4087 54.7933 35.6976 174.6676 1132 V 3.7644 8.6594 128.2540 63.8922 31.3322 175.7696 1133 K 4.2142 8.6633 128.2576 58.9277 32.4836 177.2181 1134 E 4.4620 7.7921 117.8986 55.4430 34.4527 172.5251 1135 G 4.2496 8.8467 113.2683 46.5088 0.0000 173.6326 *1137 N 4.7274 8.1859 122.9531 52.3529 39.6587 177.5995 1138 I 3.7660 7.5635 120.2243 64.4804 36.9827 178.3496 1139 V 3.5608 7.6311 117.3424 65.8342 31.4896 177.1652 1140 E 4.1105 7.5193 115.0156 58.6891 29.8977 177.7903 1141 A 4.3387 7.7161 121.5720 52.2686 18.8855 178.4710 *1143 E 4.4513 8.1309 120.5518 57.3212 31.5882 177.7500 1144 R 4.2898 7.8334 115.5407 56.4249 31.5366 177.2110 1145 F 4.5365 7.7762 118.6843 52.6385 37.4460 174.7586 1146 G 5.1549 7.2579 118.4849 45.5395 0.0000 170.2148 1147 S 4.4551 7.9646 122.0711 57.2272 63.6660 175.7290 1148 R 3.6585 8.1955 121.0067 59.1865 29.8403 177.4165 1149 N 4.5383 8.0881 112.5060 53.2129 38.1252 175.8027 1150 G 4.2478 9.3907 110.2336 45.1471 0.0000 173.1611 1151 K 4.5472 7.5030 119.8240 55.1735 31.2609 176.3225 1152 T 4.3454 8.6753 116.2010 61.5899 68.5037 174.0456 1153 S 4.7502 8.5482 115.7284 57.9686 63.7494 173.4743 1154 K 4.4436 7.4991 117.8174 55.4844 35.8189 174.5764 1155 K 4.2988 8.9543 124.1056 56.1598 33.4311 175.5828 1156 I 4.5553 8.4631 128.7803 60.4741 38.7916 174.9210 1157 T 5.0862 8.7445 123.2489 61.9217 73.2067 173.8085 1158 I 4.2536 9.1339 126.2622 60.0574 35.9097 176.0525 1159 A 4.1129 8.7730 128.6584 54.8044 18.4253 177.3559 1160 D 4.8882 7.9843 113.0496 53.3373 44.8700 173.8957 1161 C 4.4885 8.3526 118.4062 56.5501 33.4688 172.7462 1162 G 3.6772 6.7897 105.2882 46.6182 0.0000 170.9221 1163 Q 5.1279 8.4729 120.6366 54.7167 30.0759 175.5754 1164 L 4.7254 9.0406 124.8893 54.7071 43.7500 176.3383 1165 E 4.4802 7.9954 123.7599 56.8676 29.5274 175.0921 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 1002 V 8.05 4.07 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 1.03 0.00 0.00 0.93 0.00 0.00 1003 N 7.65 4.92 0.00 2.78 2.93 0.00 0.00 6.91 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 1004 P 0.00 4.45 0.00 2.05 1.97 0.00 3.74 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.13 0.00 1005 T 8.32 5.28 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 1.29 0.00 0.00 1006 V 8.41 5.08 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 0.84 0.00 0.00 1.10 0.00 0.00 1007 F 9.13 5.44 0.00 3.12 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 1008 F 9.65 5.66 0.00 3.07 3.05 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 1009 D 10.55 5.25 0.00 2.97 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 1010 I 8.84 4.79 1.90 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.94 0.89 0.00 0.00 1011 A 9.23 4.94 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1012 V 8.43 4.19 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 0.29 0.00 0.00 0.61 0.00 0.00 1013 D 9.26 4.31 0.00 2.88 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 1014 G 8.53 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 0.00 0.00 0.00 0.00 1015 E 7.86 4.00 0.00 2.01 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 2.37 2.30 0.00 1016 P 0.00 4.77 0.00 2.22 2.06 0.00 3.77 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 1.99 1.97 0.00 1017 L 9.46 4.48 0.00 1.52 1.78 0.88 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 1018 G 7.30 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1019 R 7.79 5.34 0.00 1.96 1.69 0.00 2.78 0.00 0.00 2.59 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.68 0.00 1020 V 8.78 4.60 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 1.01 0.00 0.00 0.51 0.00 0.00 1021 S 8.54 4.96 0.00 3.94 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 1022 F 8.82 5.21 0.00 2.53 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1023 E 8.60 4.87 0.00 2.05 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 2.28 2.30 0.00 1024 L 8.31 4.09 0.00 1.42 1.36 0.99 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 1025 F 7.42 4.73 0.00 3.12 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 1026 A 8.29 4.06 1.38 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 0.00 0.00 0.00 0.00 0.00 0.00 1027 D 8.51 4.52 0.00 2.80 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 1028 K 8.08 4.20 0.00 1.88 1.96 0.00 1.76 0.00 0.00 1.72 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.42 7.81 1029 V 7.69 4.81 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 1.09 0.00 0.00 1030 P 0.00 4.21 0.00 2.26 2.43 0.00 4.04 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 1.90 0.00 1031 K 8.33 3.98 0.00 1.70 1.82 0.00 1.03 0.00 0.00 1.23 0.00 0.00 2.14 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.70 0.65 7.81 1032 T 8.27 4.27 4.43 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 0.89 0.00 0.00 1033 A 9.20 4.23 1.36 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 1034 E 8.85 4.01 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 2.36 2.40 0.00 1035 N 7.97 4.27 0.00 3.19 3.25 0.00 0.00 6.72 7.59 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 1036 F 8.38 4.35 0.00 3.60 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 1037 R 8.23 3.95 0.00 2.03 2.10 0.00 3.33 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 1038 A 8.73 4.00 1.22 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 0.00 0.00 0.00 1039 L 7.87 4.30 0.00 1.64 0.98 1.21 0.83 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 1040 S 7.56 4.55 0.00 3.96 3.98 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 1041 T 7.71 4.18 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 1.22 0.00 0.00 1042 G 7.98 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 0.00 0.00 0.00 1043 E 7.98 3.89 0.00 1.84 1.85 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 2.20 2.24 0.00 1044 K 7.16 3.64 0.00 0.79 1.40 0.00 1.59 0.00 0.00 1.50 0.00 0.00 2.83 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.12 1.19 7.81 1045 G 7.61 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 1046 F 6.13 4.36 0.00 2.41 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 1047 G 6.61 3.33 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 0.00 0.00 0.00 0.00 1048 Y 8.13 4.26 0.00 2.55 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 1049 K 7.81 4.07 0.00 1.65 1.68 0.00 1.84 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.40 1.43 7.81 1050 G 9.20 4.12 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 0.00 0.00 0.00 1051 S 8.15 4.69 0.00 3.90 4.09 0.00 0.00 0.00 0.00 0.00 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0.00 0.99 0.00 0.00 1069 R 8.18 4.13 0.00 1.88 2.01 0.00 3.35 0.00 0.00 3.11 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.60 0.00 1070 H 8.81 4.60 0.00 3.25 3.44 0.00 5.90 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1071 N 7.72 4.71 0.00 2.80 2.86 0.00 0.00 7.12 6.88 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 1072 G 8.38 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 0.00 0.00 0.00 1073 T 7.69 4.09 4.18 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 1.17 0.00 0.00 1074 G 8.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1075 G 7.52 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1076 K 7.51 4.56 0.00 1.93 1.63 0.00 1.35 0.00 0.00 1.44 0.00 0.00 2.13 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.07 1.26 7.81 1077 S 8.49 4.77 0.00 4.64 4.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1078 I 7.71 4.09 1.62 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.12 -0.36 0.81 0.00 0.00 1079 Y 7.03 4.71 0.00 3.07 3.02 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 0.00 0.00 0.00 1080 G 8.06 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 1081 E 8.64 4.20 0.00 2.01 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.29 0.00 1082 K 8.79 4.93 0.00 1.90 1.82 0.00 1.74 0.00 0.00 1.73 0.00 0.00 2.96 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.36 1.44 7.81 1083 F 8.55 5.12 0.00 2.97 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 1084 E 9.11 4.21 0.00 1.98 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.48 0.00 1085 D 8.51 4.17 0.00 2.65 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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 1094 G 7.54 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 0.00 0.00 0.00 1095 P 0.00 4.37 0.00 2.08 2.05 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 2.07 2.15 0.00 1096 G 9.74 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 0.00 0.00 0.00 1097 I 7.54 4.07 1.86 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 1.32 0.90 0.83 0.00 0.00 1098 L 9.26 4.74 0.00 1.29 0.95 0.19 -1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 1099 S 8.34 5.02 0.00 3.64 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 *1101 A 8.93 4.59 1.48 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 0.00 0.00 1102 N 8.76 4.95 0.00 2.95 3.04 0.00 0.00 6.12 7.26 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 1111 Q 8.29 4.68 0.00 1.99 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.81 0.00 0.00 0.00 0.00 0.00 2.45 2.31 0.00 1112 F 8.31 5.52 0.00 3.44 3.45 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 1113 F 8.94 6.20 0.00 3.10 3.03 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 1114 I 8.71 4.88 2.07 0.00 0.00 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 1.62 1.13 1.03 0.00 0.00 1115 C 9.04 4.61 0.00 3.02 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 1116 T 8.28 4.79 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 1117 A 7.56 4.30 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1118 K 8.88 4.10 0.00 1.78 1.83 0.00 1.77 0.00 0.00 1.94 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.65 1.65 7.81 1119 T 7.63 3.15 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 1.33 0.00 0.00 1120 E 7.85 4.00 0.00 2.22 2.33 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 2.64 2.42 0.00 1121 W 8.18 4.38 0.00 3.39 3.33 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 0.00 1122 L 7.41 4.21 0.00 1.27 1.61 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 1123 D 7.78 4.57 0.00 2.85 2.71 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 1124 G 9.23 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1125 K 7.63 4.00 0.00 1.78 1.76 0.00 1.51 0.00 0.00 1.87 0.00 0.00 2.97 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.36 1.31 7.81 1126 H 8.01 5.07 0.00 3.41 3.52 0.00 5.70 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1127 V 8.55 3.70 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 0.83 0.00 0.00 0.84 0.00 0.00 1128 V 8.28 4.12 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 1.00 0.00 0.00 0.68 0.00 0.00 1129 F 9.39 5.01 0.00 2.99 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 1130 G 7.28 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 0.00 0.00 0.00 1131 K 7.31 4.95 0.00 2.03 1.76 0.00 1.77 0.00 0.00 1.83 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.45 7.81 1132 V 8.66 3.76 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 0.70 0.00 0.00 0.95 0.00 0.00 1133 K 8.66 4.21 0.00 1.61 1.79 0.00 1.76 0.00 0.00 1.66 0.00 0.00 2.89 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.44 1.35 7.81 1134 E 7.79 4.46 0.00 1.70 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.30 0.00 1135 G 8.85 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *1137 N 8.19 4.73 0.00 2.94 3.12 0.00 0.00 6.16 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 1138 I 7.56 3.77 1.96 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.78 0.90 0.00 0.00 1139 V 7.63 3.56 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 0.81 0.00 0.00 0.92 0.00 0.00 1140 E 7.52 4.11 0.00 2.01 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 0.00 2.35 2.40 0.00 1141 A 7.72 4.34 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 *1143 E 8.13 4.45 0.00 2.30 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 2.62 2.35 0.00 1144 R 7.83 4.29 0.00 1.35 1.48 0.00 3.19 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.52 0.00 1145 F 7.78 4.54 0.00 3.16 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 1146 G 7.26 5.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1147 S 7.96 4.46 0.00 3.88 3.79 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 0.00 0.00 0.00 1148 R 8.20 3.66 0.00 1.86 1.98 0.00 3.42 0.00 0.00 3.28 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.63 0.00 1149 N 8.09 4.54 0.00 2.84 2.95 0.00 0.00 6.23 7.00 0.00 0.00 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 G 9.39 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1151 K 7.50 4.55 0.00 1.91 1.86 0.00 1.87 0.00 0.00 1.78 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.49 1.41 7.81 1152 T 8.68 4.35 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 1.42 0.00 0.00 1153 S 8.55 4.75 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 1154 K 7.50 4.44 0.00 2.10 2.08 0.00 2.32 0.00 0.00 2.03 0.00 0.00 3.11 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.48 1.66 7.81 1155 K 8.95 4.30 0.00 1.88 1.71 0.00 1.64 0.00 0.00 1.68 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.47 7.81 1156 I 8.46 4.56 2.01 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.83 0.83 0.00 0.00 1157 T 8.74 5.09 4.28 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 1.34 0.00 0.00 1158 I 9.13 4.25 2.00 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.60 0.60 0.00 0.00 1159 A 8.77 4.11 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 1160 D 7.98 4.89 0.00 2.76 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1161 C 8.35 4.49 0.00 3.29 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 1162 G 6.79 3.68 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 0.00 0.00 0.00 1163 Q 8.47 5.13 0.00 2.08 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.77 0.00 0.00 0.00 0.00 0.00 2.30 2.63 0.00 1164 L 9.04 4.73 0.00 1.69 1.70 0.74 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 1165 E 8.00 4.48 0.00 1.87 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 2.10 2.20 0.00 * Residues marked with a * may have inaccurate shift predictions.