NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1002 V 4.0919 8.0549 114.0600 60.8766 33.8482 175.1805 1003 N 4.6598 8.0239 117.4938 51.0012 39.5483 172.9854 1004 P 4.4569 0.0000 0.0000 62.9559 33.5423 175.0708 1005 T 5.4717 8.5002 119.4753 61.2168 71.5822 173.5007 1006 V 5.0319 8.4030 118.9513 59.8504 36.2936 174.0891 1007 F 5.3448 8.6125 115.1241 56.1346 41.8403 173.2209 1008 F 5.7601 9.6496 118.2005 56.1395 42.7932 174.0253 1009 D 5.2530 10.2491 125.1995 53.1205 42.0615 175.6592 1010 I 4.8306 8.7895 125.7965 60.5875 38.8758 175.1884 1011 A 4.9838 9.0938 127.9509 50.1472 22.2565 175.1244 1012 V 4.1935 8.4926 123.2250 61.2605 32.0094 175.1597 1013 D 4.3499 9.4885 130.8503 55.3724 38.4532 174.5117 1014 G 4.1214 8.5793 108.3093 45.5229 0.0000 174.2182 1015 E 4.1249 7.8569 121.3117 54.3344 29.9030 174.0068 1016 P 4.6920 0.0000 0.0000 63.4709 31.9121 174.8080 1017 L 4.4713 9.0871 121.9126 55.0840 43.9869 176.3763 1018 G 4.0278 7.3291 104.4655 46.4243 0.0000 170.9632 1019 R 5.2814 7.8076 119.8783 54.6148 32.9572 175.3783 1020 V 4.6716 9.0516 124.0217 60.0998 34.1944 174.6946 1021 S 4.9445 8.4804 120.6804 56.9811 65.6699 173.1678 1022 F 5.2248 9.0883 119.1344 55.7137 43.5814 173.2860 1023 E 4.8993 8.9460 122.4056 54.5171 31.6853 174.5228 1024 L 4.3197 8.5627 128.0585 52.5608 42.8626 178.3759 1025 F 4.8076 7.8613 126.4086 56.9796 37.0552 176.4399 1026 A 4.1380 8.4142 126.8257 55.0270 18.8935 179.5202 1027 D 4.7089 8.3691 112.9401 54.8575 39.6222 176.8158 1028 K 4.4545 8.0500 117.2585 57.6877 35.4695 176.9632 1029 V 4.4365 7.8926 117.5986 59.0621 31.1535 173.0948 1030 P 4.2564 0.0000 0.0000 65.7258 31.6248 177.5724 1031 K 3.6954 8.3243 117.2909 59.9848 31.9419 179.0392 1032 T 4.1494 8.4872 115.7566 66.3970 68.5528 176.6372 1033 A 4.2785 8.3299 122.8925 55.3072 18.4274 179.1479 1034 E 3.9144 9.1854 118.7802 59.5745 29.7511 178.3942 1035 N 4.0276 8.2132 116.9839 56.8631 38.9341 176.5589 1036 F 4.2928 8.1669 121.9410 61.0054 39.5884 177.3457 1037 R 3.9416 8.2107 117.9701 59.5169 29.8930 178.4012 1038 A 3.9289 8.7600 121.0849 54.7963 18.3333 179.0670 1039 L 3.7668 7.7834 116.4913 56.4468 41.7195 179.1843 1040 S 4.5596 7.8447 114.8177 60.9906 62.8975 175.8937 1041 T 4.0873 7.5836 111.4238 61.5783 69.7902 174.6163 1042 G 3.4668 7.8403 107.7501 45.3891 0.0000 173.7110 1043 E 4.0575 7.5136 116.2001 57.4285 30.6135 178.0278 1044 K 3.8786 7.2405 117.6282 56.3687 32.4944 176.8474 1045 G 3.9023 7.3509 104.7165 45.1355 0.0000 173.3796 1046 F 4.6660 7.0301 114.1743 54.3153 41.2062 174.8836 1047 G 3.1653 6.5899 106.5024 46.1115 0.0000 171.6259 1048 Y 4.1886 6.8802 116.1616 60.2927 38.0325 175.4837 1049 K 3.8942 7.8897 120.5042 59.3493 32.0866 175.2905 1050 G 4.1060 9.6348 117.0087 45.3380 0.0000 173.5501 1051 S 4.6346 8.1906 114.2874 58.4908 64.5394 173.2723 1052 C 5.0163 8.5455 115.4995 56.8407 32.7276 173.9117 1053 F 4.5383 9.0489 119.0049 56.1293 37.1250 176.0657 1054 H 4.4151 8.6826 119.5413 57.5090 29.4977 175.4861 1055 R 4.6733 7.9506 119.4289 54.7464 32.9149 173.8964 1056 I 4.7439 8.6442 127.5284 59.6362 40.6567 175.2454 1057 I 4.7544 8.3859 128.6315 58.5909 37.9902 173.2157 1058 P 4.5524 0.0000 0.0000 64.4160 31.4597 177.4337 1059 G 4.0387 9.2539 110.7932 45.6182 0.0000 172.8127 1060 F 4.9896 7.7998 119.2557 59.5628 42.2825 173.8313 *1062 C 4.8170 7.5708 115.3484 59.7621 29.9723 171.8177 1063 Q 4.9647 9.6967 126.4227 54.6854 31.1634 174.5604 1064 G 3.1222 7.8081 112.8813 46.5771 0.0000 173.5901 1065 G 4.5401 8.7967 109.1692 46.6986 0.0000 173.8339 1066 D 4.3645 7.4585 120.6797 52.9179 39.5338 176.0926 1067 F 4.3867 7.6030 115.8891 57.3926 39.0568 177.2807 1068 T 4.2621 7.3885 110.7100 63.4592 69.8053 175.8459 1069 R 4.2424 7.9833 120.0097 55.4330 30.7918 176.6008 1070 H 4.0867 7.5632 113.0508 56.3726 26.9537 174.3898 1071 N 4.8436 8.0412 114.9181 52.4361 37.7522 175.0945 1072 G 3.7455 8.1214 105.2603 46.4785 0.0000 174.5715 1073 T 4.2640 7.6382 115.1983 64.4797 70.0937 174.9209 1074 G 3.8378 7.7054 109.7941 44.4574 0.0000 173.4483 1075 G 3.3585 10.1011 107.0882 46.2804 0.0000 172.8128 1076 K 4.4620 7.1852 117.0744 55.4296 35.1616 175.7091 1077 S 4.7130 8.4337 115.9711 57.1555 64.6522 174.0039 1078 I 4.0242 7.8834 112.8689 62.6976 37.5724 176.0410 1079 Y 4.6920 6.4599 117.3932 58.2166 38.7111 174.8352 1080 G 4.2940 7.7574 107.4590 44.1617 0.0000 176.5544 1081 E 4.1226 9.7296 128.9903 56.6867 27.7515 178.2747 1082 K 5.5589 9.0621 129.1799 56.2743 36.3889 175.5085 1083 F 5.2116 8.9540 114.3941 55.5754 41.7335 173.4877 1084 E 4.2894 8.9500 117.7867 56.4198 30.4046 177.4807 1085 D 4.2999 8.3549 121.6302 54.0768 38.1966 177.5007 1086 E 3.7259 7.1727 122.7400 57.1747 31.2759 176.4423 1087 N 4.3115 6.8315 112.0943 52.8395 39.4182 173.2636 1088 F 5.2345 8.3461 115.1282 57.4875 40.2478 177.1276 1089 I 3.9164 8.2186 122.8677 64.2608 37.2420 177.3320 1090 L 4.3597 7.7895 118.8557 53.8640 42.4373 176.2912 1091 K 4.7837 8.2164 121.5771 54.9443 33.4461 176.9070 1092 H 4.5702 9.2456 119.9007 55.4089 26.6006 176.5549 1093 T 3.8851 8.0514 111.7387 62.0572 69.2766 175.6522 1094 G 3.9224 7.4968 108.4764 45.1231 0.0000 169.4835 1095 P 4.3556 0.0000 0.0000 64.1483 31.9255 176.4261 1096 G 4.0356 9.6060 111.1197 45.2972 0.0000 173.6185 1097 I 3.9801 7.3715 120.6084 61.6215 38.2818 174.8749 1098 L 4.5864 8.6553 130.2458 52.6449 43.5655 174.3163 1099 S 5.0919 8.4233 121.2105 57.1711 64.4776 176.2772 *1101 A 4.7529 9.0376 121.1127 52.0557 17.8601 176.3124 1102 N 4.8922 8.5711 118.5189 52.2587 40.0108 175.7808 1103 A 4.5991 8.8668 119.5573 50.2728 18.4418 175.6453 1104 G 3.9882 8.2752 108.6134 43.2811 0.0000 170.0888 1105 P 4.4502 0.0000 0.0000 64.1183 31.6113 176.6062 1106 N 4.3432 9.4137 118.3427 54.6414 36.8717 174.9157 1107 T 4.6119 7.0886 105.4774 60.9304 69.1365 174.0825 1108 N 4.6236 7.9658 119.9598 53.1981 41.0280 174.2953 1109 G 4.0453 9.2920 110.1353 45.4247 0.0000 173.2363 1110 S 4.9212 9.0920 120.4482 57.7337 65.6473 174.8412 1111 Q 4.6182 8.1298 120.3788 56.1221 29.4161 175.1498 1112 F 5.5841 8.2566 116.7073 55.9274 42.4491 172.7960 1113 F 5.6775 9.2635 112.9917 55.6563 41.4436 173.3797 1114 I 4.8787 9.0636 122.6851 59.9529 38.5773 175.3957 1115 C 4.5575 9.1994 126.3842 59.6084 29.2218 174.1889 1116 T 4.7610 8.3259 112.9593 60.7408 69.1797 173.5147 1117 A 4.2539 7.4808 123.0121 51.9726 21.3759 176.5891 1118 K 4.1087 8.8696 121.4710 56.9233 32.8322 177.5369 1119 T 3.6272 7.6416 117.6022 59.5872 68.1486 174.8115 1120 E 4.2018 7.8346 123.3981 59.0712 30.3992 179.4929 1121 W 4.4397 7.9576 115.3397 57.9827 28.6510 176.4548 1122 L 4.3590 7.2785 119.0668 54.8355 41.6555 175.9650 1123 D 4.6079 7.7341 120.5802 55.8922 40.7861 176.6046 1124 G 3.5008 9.0199 113.3694 44.7176 0.0000 173.6778 1125 K 4.2422 7.3957 116.5632 56.3530 33.9534 176.0709 1126 H 5.0389 7.9597 114.8891 53.8473 32.1732 173.3116 1127 V 4.0182 8.6368 117.6427 60.7335 31.2070 175.6046 1128 V 3.9737 8.4332 126.0553 62.6641 32.0879 175.4160 1129 F 5.0423 8.7614 119.4856 56.2306 40.2417 173.8736 1130 G 2.8939 6.7993 105.5918 45.7101 0.0000 171.8562 1131 K 4.8825 7.5984 119.2013 54.6460 36.1498 175.0411 1132 V 3.8364 8.7376 127.9880 63.8961 31.3345 175.7838 1133 K 4.2116 8.8395 128.6859 58.9222 32.4893 177.2519 1134 E 4.4881 7.7760 118.3833 55.3407 34.4023 172.6372 1135 G 4.0221 8.8471 114.2690 46.5607 0.0000 173.7816 *1137 N 4.7257 8.3303 123.2245 52.0522 39.4104 177.1294 1138 I 3.7714 7.6369 119.9360 64.3600 37.2698 177.9973 1139 V 3.7040 7.6347 117.6123 65.7663 31.5012 177.4530 1140 E 4.1490 8.1442 117.2296 58.8028 30.0441 177.9322 1141 A 4.3579 7.6788 121.4229 52.4573 19.0131 179.3833 *1143 E 4.3416 8.1192 122.0013 57.8880 31.6298 178.8949 1144 R 3.9594 7.5457 115.0787 58.0787 30.4301 177.4189 1145 F 5.1221 7.5860 116.3760 55.8458 39.4923 175.2915 1146 G 4.5341 8.1103 108.7059 43.4992 0.0000 173.8754 1147 S 4.5503 8.5690 119.9602 57.1134 64.7318 175.2734 1148 R 3.9568 8.6610 118.9855 59.5010 29.6353 178.2472 1149 N 4.4722 8.0232 112.6714 53.5503 38.2000 175.5940 1150 G 4.1166 8.1477 107.6006 45.2435 0.0000 173.7628 1151 K 4.4112 8.3017 120.7545 56.5049 32.9252 176.8551 1152 T 4.9110 8.3202 113.9254 61.3632 69.7851 174.4828 1153 S 4.4841 8.7231 119.8691 60.9244 64.1141 174.1919 1154 K 4.9460 8.0100 116.0805 54.0370 36.3245 176.5230 1155 K 4.1782 9.0874 124.6089 56.4984 33.0994 175.8397 1156 I 4.6276 8.4254 129.6541 60.7457 38.5227 175.2274 1157 T 5.0493 9.0361 123.7246 61.8774 72.9102 173.7952 1158 I 4.3753 9.1155 126.3584 60.1283 35.9618 176.2145 1159 A 4.2386 8.8400 128.4386 54.6135 18.6939 177.2097 1160 D 4.9256 8.0317 113.3179 53.3338 44.9871 173.5058 1161 C 4.9984 7.4585 117.4693 56.8917 33.2244 172.8259 1162 G 3.6855 6.7307 104.8259 46.6426 0.0000 170.4491 1163 Q 5.1693 8.4838 120.9380 54.6708 29.7375 175.6576 1164 L 4.5859 9.2827 126.2065 55.5724 43.1505 176.2483 1165 E 4.3564 7.9733 123.3511 56.7398 29.3981 174.6276 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 4.09 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 0.91 0.00 0.00 0.95 0.00 0.00 1003 N 8.02 4.66 0.00 2.74 2.81 0.00 0.00 6.95 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 4.46 0.00 2.10 2.00 0.00 3.76 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.15 0.00 1005 T 8.50 5.47 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 1.30 0.00 0.00 1006 V 8.40 5.03 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 1.11 0.00 0.00 1007 F 8.61 5.34 0.00 3.16 3.06 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 0.00 0.00 0.00 1008 F 9.65 5.76 0.00 3.10 3.08 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 1009 D 10.25 5.25 0.00 2.81 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 1010 I 8.79 4.83 1.90 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.87 0.89 0.00 0.00 1011 A 9.09 4.98 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 1012 V 8.49 4.19 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 0.29 0.00 0.00 0.58 0.00 0.00 1013 D 9.49 4.35 0.00 2.82 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1014 G 8.58 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 1015 E 7.86 4.12 0.00 2.01 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 2.36 2.29 0.00 1016 P 0.00 4.69 0.00 2.22 2.07 0.00 3.77 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 1017 L 9.09 4.47 0.00 1.52 1.84 0.89 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 1018 G 7.33 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 1019 R 7.81 5.28 0.00 2.01 1.69 0.00 2.75 0.00 0.00 2.43 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.83 0.00 1020 V 9.05 4.67 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 0.96 0.00 0.00 0.51 0.00 0.00 1021 S 8.48 4.94 0.00 3.95 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 1022 F 9.09 5.22 0.00 2.60 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 1023 E 8.95 4.90 0.00 1.95 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 2.21 2.28 0.00 1024 L 8.56 4.32 0.00 1.51 1.56 1.10 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 1025 F 7.86 4.81 0.00 3.11 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 8.41 4.14 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 1027 D 8.37 4.71 0.00 2.82 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1028 K 8.05 4.45 0.00 1.76 1.85 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.89 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.36 1.42 7.81 1029 V 7.89 4.44 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 1.05 0.00 0.00 1030 P 0.00 4.26 0.00 2.20 2.10 0.00 3.89 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 2.14 2.43 0.00 1031 K 8.32 3.70 0.00 1.69 1.94 0.00 1.36 0.00 0.00 1.57 0.00 0.00 2.26 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.90 0.88 7.81 1032 T 8.49 4.15 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 0.87 0.00 0.00 1033 A 8.33 4.28 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 1034 E 9.19 3.91 0.00 2.05 2.11 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 2.37 2.41 0.00 1035 N 8.21 4.03 0.00 2.85 3.02 0.00 0.00 6.91 7.87 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 1036 F 8.17 4.29 0.00 3.23 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1037 R 8.21 3.94 0.00 2.05 2.11 0.00 3.32 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 1038 A 8.76 3.93 1.21 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 1039 L 7.78 3.77 0.00 1.45 0.78 1.04 0.47 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 1040 S 7.84 4.56 0.00 4.00 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 1041 T 7.58 4.09 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 1042 G 7.84 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 1043 E 7.51 4.06 0.00 1.91 1.96 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 2.30 2.09 0.00 1044 K 7.24 3.88 0.00 0.79 1.43 0.00 1.59 0.00 0.00 1.52 0.00 0.00 2.93 0.00 0.00 3.05 0.00 0.00 0.00 0.00 0.99 1.09 7.81 1045 G 7.35 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 1046 F 7.03 4.67 0.00 2.49 2.90 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 1047 G 6.59 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 0.00 0.00 0.00 1048 Y 6.88 4.19 0.00 2.89 2.61 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 0.00 0.00 0.00 0.00 1049 K 7.89 3.89 0.00 1.65 1.69 0.00 1.87 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.40 1.44 7.81 1050 G 9.63 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1051 S 8.19 4.63 0.00 4.01 4.15 0.00 0.00 0.00 0.00 0.00 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0.00 0.94 0.00 0.00 1069 R 7.98 4.24 0.00 1.90 1.91 0.00 3.15 0.00 0.00 3.11 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.52 0.00 1070 H 7.56 4.09 0.00 3.18 3.42 0.00 5.79 0.00 0.00 0.00 0.00 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1071 N 8.04 4.84 0.00 2.74 2.80 0.00 0.00 6.96 7.12 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 1072 G 8.12 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1073 T 7.64 4.26 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 1.17 0.00 0.00 1074 G 7.71 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1075 G 10.10 3.36 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 1076 K 7.19 4.46 0.00 1.98 1.61 0.00 1.35 0.00 0.00 1.44 0.00 0.00 2.13 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.05 1.44 7.81 1077 S 8.43 4.71 0.00 3.94 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 0.00 1078 I 7.88 4.02 1.63 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.11 -0.27 0.70 0.00 0.00 1079 Y 6.46 4.69 0.00 3.04 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 1080 G 7.76 4.29 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 0.00 1081 E 9.73 4.12 0.00 2.07 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 2.38 2.29 0.00 1082 K 9.06 5.56 0.00 1.93 1.87 0.00 1.58 0.00 0.00 1.77 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.35 1.45 7.81 1083 F 8.95 5.21 0.00 2.98 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1084 E 8.95 4.29 0.00 1.99 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 2.30 2.30 0.00 1085 D 8.35 4.30 0.00 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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 0.00 1.24 0.00 0.00 1094 G 7.50 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 4.36 0.00 2.07 2.03 0.00 3.67 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.21 0.00 1096 G 9.61 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 1097 I 7.37 3.98 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 1.27 0.84 0.76 0.00 0.00 1098 L 8.66 4.59 0.00 1.06 0.57 0.04 -1.44 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 8.42 5.09 0.00 3.58 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 9.04 4.75 1.47 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 1102 N 8.57 4.89 0.00 2.94 3.03 0.00 0.00 6.03 7.26 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 1111 Q 8.13 4.62 0.00 2.14 2.09 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 2.31 2.32 0.00 1112 F 8.26 5.58 0.00 3.44 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 1113 F 9.26 5.68 0.00 3.08 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 1114 I 9.06 4.88 2.09 0.00 0.00 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 1.44 1.11 1.04 0.00 0.00 1115 C 9.20 4.56 0.00 2.95 3.08 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 1116 T 8.33 4.76 4.29 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 1.29 0.00 0.00 1117 A 7.48 4.25 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1118 K 8.87 4.11 0.00 1.78 1.83 0.00 1.91 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.72 1.62 7.81 1119 T 7.64 3.63 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 1.37 0.00 0.00 1120 E 7.83 4.20 0.00 2.30 2.29 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 2.51 2.34 0.00 1121 W 7.96 4.44 0.00 3.41 3.38 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 1122 L 7.28 4.36 0.00 1.28 1.63 0.85 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 1123 D 7.73 4.61 0.00 2.83 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 1124 G 9.02 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 1125 K 7.40 4.24 0.00 1.77 1.79 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.85 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.30 1.26 7.81 1126 H 7.96 5.04 0.00 3.40 3.53 0.00 5.70 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1127 V 8.64 4.02 2.04 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 0.68 0.00 0.00 0.89 0.00 0.00 1128 V 8.43 3.97 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 0.82 0.00 0.00 0.62 0.00 0.00 1129 F 8.76 5.04 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 1130 G 6.80 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 0.00 0.00 0.00 1131 K 7.60 4.88 0.00 1.98 1.67 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.37 1.41 7.81 1132 V 8.74 3.84 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 0.99 0.00 0.00 1133 K 8.84 4.21 0.00 1.56 1.79 0.00 1.79 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 1.43 1.32 7.81 1134 E 7.78 4.49 0.00 1.66 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 4.02 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 *1137 N 8.33 4.73 0.00 2.91 3.12 0.00 0.00 6.19 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 7.64 3.77 2.04 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 1.46 0.90 0.90 0.00 0.00 1139 V 7.63 3.70 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.93 0.00 0.00 1140 E 8.14 4.15 0.00 2.17 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 2.33 2.39 0.00 1141 A 7.68 4.36 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *1143 E 8.12 4.34 0.00 2.23 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.32 0.00 1144 R 7.55 3.96 0.00 1.32 1.46 0.00 3.01 0.00 0.00 3.16 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.52 0.00 1145 F 7.59 5.12 0.00 3.18 3.06 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 0.00 0.00 0.00 1146 G 8.11 4.53 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 1147 S 8.57 4.55 0.00 4.08 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1148 R 8.66 3.96 0.00 1.83 2.06 0.00 3.36 0.00 0.00 3.28 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.58 0.00 1149 N 8.02 4.47 0.00 2.83 2.96 0.00 0.00 6.24 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 8.15 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 1151 K 8.30 4.41 0.00 2.01 2.06 0.00 1.23 0.00 0.00 1.74 0.00 0.00 3.16 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.54 1.45 7.81 1152 T 8.32 4.91 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 1.41 0.00 0.00 1153 S 8.72 4.48 0.00 3.92 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 1154 K 8.01 4.95 0.00 1.75 1.85 0.00 2.06 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.44 1.64 7.81 1155 K 9.09 4.18 0.00 1.87 1.82 0.00 1.64 0.00 0.00 1.66 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.48 1.47 7.81 1156 I 8.43 4.63 2.03 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.88 0.85 0.00 0.00 1157 T 9.04 5.05 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 1.29 0.00 0.00 1158 I 9.12 4.38 2.01 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 1.03 0.61 0.00 0.00 1159 A 8.84 4.24 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 8.03 4.93 0.00 2.78 2.82 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 1161 C 7.46 5.00 0.00 3.25 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 1162 G 6.73 3.69 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 0.00 0.00 0.00 1163 Q 8.48 5.17 0.00 2.07 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.84 0.00 0.00 0.00 0.00 0.00 2.30 2.58 0.00 1164 L 9.28 4.59 0.00 1.73 1.74 0.77 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 1165 E 7.97 4.36 0.00 1.89 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.26 0.00 * Residues marked with a * may have inaccurate shift predictions.