NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1010 K 4.2245 8.3149 121.7903 55.2823 33.5269 175.2577 1011 P 4.7199 0.0000 0.0000 61.2530 32.8625 173.3349 1012 K 4.8105 10.2679 121.1923 56.4950 36.7254 174.1126 1013 L 5.0754 8.6687 120.7627 53.3184 44.7923 176.0936 1014 L 5.2047 8.5273 120.7204 53.3658 44.0512 174.7410 1015 Y 4.7981 8.9704 126.9789 56.5598 40.3607 173.7918 1016 C 4.5747 9.0858 128.8524 57.0916 32.0688 174.5834 1017 S 4.0187 8.6954 121.7925 60.6501 62.7911 174.8614 1018 N 4.1378 7.8385 119.5321 56.1013 38.6398 175.2687 1019 G 3.9226 7.6598 103.7688 44.4737 0.0000 172.5402 1020 G 3.2943 7.7129 106.9877 44.8196 0.0000 173.4429 1021 H 4.9649 7.3429 114.6896 53.5842 32.4403 174.2659 1022 F 5.1285 9.0493 120.9494 56.1903 40.5910 175.2202 1023 L 4.5658 9.3938 126.6025 55.5318 43.2286 175.6613 1024 R 4.8800 9.4039 126.0639 54.6372 33.7405 173.9418 1025 I 4.7390 8.1600 126.6419 59.3949 38.5314 175.7494 1026 L 4.0984 8.6821 128.0666 53.2854 42.2722 176.9193 1027 P 4.1942 0.0000 0.0000 66.0269 31.0285 177.0103 1028 D 4.4859 7.9711 115.2108 53.5372 39.6300 176.9526 1029 G 4.1601 8.5313 109.3786 45.5688 0.0000 173.8763 1030 T 4.5483 8.3407 117.0812 62.7607 69.4905 173.8553 1031 V 4.9169 7.9994 122.8343 61.2849 34.8612 174.7183 1032 D 4.5367 8.5966 125.7564 52.9994 42.8954 174.0613 1033 G 4.5776 8.6805 104.7493 45.5248 0.0000 172.1068 1034 T 5.0121 8.8095 114.4123 60.6925 70.9334 174.7549 1035 R 4.3766 8.8351 124.5416 57.1159 30.9857 176.4664 1036 D 4.5516 8.1226 118.5202 53.5644 39.9682 176.5086 1037 R 3.6013 8.5738 127.2899 58.3007 30.2276 177.2334 1038 S 4.4145 8.4313 112.4757 58.9640 63.3598 174.0366 1039 D 4.4103 7.7496 121.0341 54.6739 41.2772 176.2631 1040 Q 4.1339 8.4946 123.5842 57.6614 29.5826 176.1711 1041 H 4.8386 8.9426 115.9317 55.4507 28.7007 176.0580 1042 I 4.5399 7.3856 110.8531 59.8264 38.6791 175.3412 1043 Q 4.2058 7.8441 121.5807 55.7912 29.3114 174.6246 1044 L 5.1815 8.8616 125.0329 52.7913 45.1516 175.5948 1045 Q 4.8181 9.1903 124.1693 54.4701 31.0891 174.0374 1046 L 5.6243 8.8074 126.6867 52.6621 43.6137 176.2552 1047 S 4.8638 8.7208 116.4378 56.5466 66.7440 172.2719 1048 A 5.6149 8.5714 124.0263 50.0028 20.0328 176.2757 1049 E 4.0848 9.1254 124.3423 58.7752 30.3132 176.5347 1050 S 4.8008 7.5158 112.5871 55.7539 66.6799 173.4942 1051 V 3.7097 8.1870 121.7259 64.6505 31.5844 176.4623 1052 G 3.9941 9.1612 115.2763 45.1152 0.0000 171.8282 1053 E 5.1850 8.2239 120.0436 54.6817 32.0729 175.6564 1054 V 5.0222 9.0558 116.6030 60.0976 36.9795 173.6905 1055 Y 5.2342 8.9551 119.7972 56.5166 41.0561 175.1307 1056 I 4.7118 8.7012 122.8974 59.5624 40.2536 174.1998 1057 K 4.7251 8.7289 128.6909 54.1731 35.4695 174.9024 1058 S 4.6404 9.0098 122.6688 58.1925 62.6678 174.9559 1059 T 3.8107 8.5380 118.7204 64.8431 68.7920 176.0192 1060 E 3.9909 8.4043 122.4597 58.9877 29.7735 177.3129 1061 T 4.2675 7.6640 105.0639 60.7514 69.6265 175.5193 1062 G 3.7917 8.2064 110.2494 45.8083 0.0000 173.9025 1063 Q 4.4793 7.4274 117.9426 55.8954 30.3937 174.5349 1064 Y 4.9288 8.9844 119.1727 55.9102 40.9791 175.2858 1065 L 4.4049 9.2929 125.7259 55.5071 43.5652 175.5320 1066 A 5.1153 8.4459 125.6527 51.3860 23.4549 174.5488 1067 M 5.4355 8.5103 118.5419 54.1184 35.2998 175.1641 1068 D 5.1329 9.4576 126.5653 52.5746 40.9837 176.9309 1069 T 4.2459 8.5865 108.2692 63.7820 68.4964 174.2503 1070 D 4.7649 8.4971 120.6555 54.0434 41.8197 176.7616 1071 G 3.1102 8.4382 108.2022 44.9512 0.0000 172.6799 1072 L 4.6996 8.1129 120.5408 53.4024 42.9831 176.4174 1073 L 4.9046 8.6051 124.2593 55.2078 42.7050 175.6299 1074 Y 4.9439 8.9854 119.8150 56.2196 42.0691 173.4656 1075 G 4.2298 9.2699 108.5396 45.0459 0.0000 173.1801 1076 S 5.1102 9.1582 122.0776 57.0868 63.6861 175.0166 1077 Q 4.4639 9.1062 125.5714 57.5327 29.0619 176.0167 1078 T 4.7808 7.4874 106.8419 58.7411 71.8437 171.8219 1079 P 3.8648 0.0000 0.0000 62.3613 32.0157 175.1378 1080 N 4.9893 8.1842 118.5459 51.0304 40.2484 174.6512 1081 E 3.9106 8.7142 115.0341 59.0351 29.8049 178.1063 1082 E 4.2596 8.1631 117.7320 57.3187 29.8337 177.0617 1083 C 4.9467 7.7726 115.4775 58.8521 29.3389 173.5206 1084 L 4.1125 7.0702 120.5643 53.9102 42.5361 175.9305 1085 F 5.2714 8.8963 122.0138 55.5661 43.3102 174.3924 1086 L 4.9070 9.2934 123.1882 53.6305 42.6420 175.5348 1087 E 4.2889 9.2249 127.2532 55.6268 30.4056 176.0697 1088 R 4.6178 8.5392 125.7810 54.0148 33.8328 174.7045 1089 L 4.5289 8.7169 126.4732 55.1567 43.0557 175.8978 1090 E 4.8158 9.2895 124.9377 54.1359 32.3041 176.7458 1091 E 3.9483 9.0608 119.7867 59.9604 29.3833 178.5585 1092 N 4.4687 8.0414 112.3409 53.5149 37.7369 174.9561 1093 H 4.1791 8.9487 118.4252 56.7552 29.3027 173.7143 1094 Y 4.6962 7.9575 115.8677 57.4064 40.4001 173.5446 1095 N 5.5698 9.5226 117.7859 51.8517 41.8613 174.2777 1096 T 5.3964 8.7048 112.4773 59.4713 72.2065 172.9451 1097 Y 5.0637 8.8892 120.5943 56.5928 41.0210 174.0301 1098 I 4.8417 8.4807 125.4590 58.8287 40.8680 174.7482 1099 S 4.1997 9.0832 124.2630 58.5093 62.9192 174.9447 1100 K 3.9444 8.7048 129.2041 59.3103 32.2998 178.7393 1101 K 3.8111 7.9003 118.4374 58.9855 32.2696 176.6891 1102 H 4.8401 7.9678 115.2819 55.0824 29.5049 176.1642 1103 A 3.9538 7.9094 124.9035 54.6380 18.2412 180.2162 1104 E 4.1288 7.9560 110.6735 57.5539 29.6643 177.2220 1105 K 4.1714 7.5329 117.9547 55.3690 33.3057 175.4836 1106 N 3.8361 7.7913 115.6029 53.9065 36.4887 174.8893 1107 W 5.0617 7.9062 118.5701 56.3588 30.1171 176.7086 1108 F 5.3744 8.9681 124.0518 55.9852 40.8023 175.9623 1109 V 4.0938 9.1511 121.5178 62.8405 32.5289 175.1903 1110 G 4.5412 8.6256 112.7556 45.2682 0.0000 171.4342 1111 L 5.3621 8.3513 121.1606 52.5133 44.9221 177.1621 1112 K 4.2744 9.3621 123.0471 55.4882 32.8839 178.4168 1113 K 3.9447 8.4482 119.4862 58.8596 31.9453 177.7852 1114 N 4.6161 8.1092 114.6338 52.4261 37.7957 175.9759 1115 G 3.5831 8.2670 109.2374 45.3172 0.0000 173.9223 1116 S 4.7331 7.9475 116.3988 57.9973 64.1674 173.7882 1117 C 4.7623 8.6026 117.4142 58.3757 30.3516 172.5558 1118 K 4.6199 8.6613 122.3541 54.7982 33.8801 176.2222 1119 R 4.2739 8.4532 124.8121 55.4622 31.3855 177.5121 1120 G 3.5218 8.7448 110.1761 47.6356 0.0000 174.4034 1121 P 4.5865 0.0000 0.0000 64.6138 31.4153 177.4780 1122 R 4.4248 7.7480 116.7366 55.4900 30.4745 175.7926 1123 T 5.2237 7.0158 108.6591 59.5214 71.5230 172.9141 1124 H 4.8972 8.0734 115.0582 54.8523 30.6403 172.8757 1125 Y 3.6901 8.7342 121.8363 58.9189 39.1042 174.8530 1126 G 3.7525 6.9094 111.4442 45.6432 0.0000 174.6406 1127 Q 3.8835 7.0688 118.3516 55.6803 29.0096 177.3060 1128 K 3.7453 8.3238 121.4385 58.0786 32.9460 178.7146 1129 A 3.9340 7.7923 121.6241 54.5933 18.5481 178.1315 1130 I 4.7443 7.0570 107.4856 60.1635 39.1046 175.1735 1131 L 4.9274 7.3270 124.2992 53.6580 43.4289 175.4429 1132 F 5.1021 9.8090 122.8739 55.5405 42.9659 173.9276 1133 L 4.4102 8.8530 126.4639 52.5984 43.1075 173.6091 1134 P 4.9973 0.0000 0.0000 62.7331 32.4542 175.7431 1135 L 4.6751 9.0816 124.7608 51.9756 44.1497 174.1389 1136 P 4.5609 0.0000 0.0000 62.8894 31.2922 176.7694 1137 V 3.5251 8.6374 128.6335 66.4454 31.6461 176.8472 *1138 S 4.2803 7.8462 119.7893 58.2605 62.8860 175.5104 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 1010 K 8.31 4.22 0.00 1.72 1.78 0.00 1.63 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.53 7.81 1011 P 0.00 4.72 0.00 2.16 1.93 0.00 3.67 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.12 0.00 1012 K 10.27 4.81 0.00 1.80 1.87 0.00 1.32 0.00 0.00 1.69 0.00 0.00 2.85 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.31 1.40 7.81 1013 L 8.67 5.08 0.00 1.76 1.74 0.37 0.44 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 1014 L 8.53 5.20 0.00 1.49 1.54 0.36 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 1015 Y 8.97 4.80 0.00 3.10 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 C 9.09 4.57 0.00 2.49 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 1017 S 8.70 4.02 0.00 3.93 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1018 N 7.84 4.14 0.00 2.58 2.69 0.00 0.00 6.77 7.98 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 1019 G 7.66 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 1020 G 7.71 3.29 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 1021 H 7.34 4.96 0.00 3.03 3.17 0.00 5.81 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 1022 F 9.05 5.13 0.00 3.11 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 1023 L 9.39 4.57 0.00 1.71 1.49 0.91 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 1024 R 9.40 4.88 0.00 1.90 2.02 0.00 3.23 0.00 0.00 3.27 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.81 0.00 1025 I 8.16 4.74 1.84 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.71 0.89 0.00 0.00 1026 L 8.68 4.10 0.00 1.91 1.53 0.97 0.72 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 1027 P 0.00 4.19 0.00 2.15 2.15 0.00 3.63 0.00 0.00 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.93 0.00 1028 D 7.97 4.49 0.00 2.81 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 1029 G 8.53 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 0.00 0.00 0.00 0.00 1030 T 8.34 4.55 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 1.22 0.00 0.00 1031 V 8.00 4.92 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 0.85 0.00 0.00 0.90 0.00 0.00 1032 D 8.60 4.54 0.00 2.91 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 1033 G 8.68 4.58 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 0.00 0.00 0.00 1034 T 8.81 5.01 4.33 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 1.35 0.00 0.00 1035 R 8.84 4.38 0.00 1.89 2.00 0.00 3.22 0.00 0.00 3.09 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.53 0.00 1036 D 8.12 4.55 0.00 2.83 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1037 R 8.57 3.60 0.00 1.88 1.93 0.00 3.23 0.00 0.00 3.15 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.22 0.00 1038 S 8.43 4.41 0.00 4.08 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1039 D 7.75 4.41 0.00 2.77 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 1040 Q 8.49 4.13 0.00 1.87 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 7.13 0.00 0.00 0.00 0.00 0.00 2.27 2.24 0.00 1041 H 8.94 4.84 0.00 3.32 3.44 0.00 5.57 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1042 I 7.39 4.54 1.88 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.91 0.98 0.00 0.00 1043 Q 7.84 4.21 0.00 2.02 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.89 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 1044 L 8.86 5.18 0.00 1.60 1.44 0.78 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 1045 Q 9.19 4.82 0.00 2.06 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.23 2.35 0.00 1046 L 8.81 5.62 0.00 1.58 1.64 0.86 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 1047 S 8.72 4.86 0.00 3.95 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 1048 A 8.57 5.61 1.37 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 0.00 0.00 1049 E 9.13 4.08 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 2.32 2.42 0.00 1050 S 7.52 4.80 0.00 3.98 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 1051 V 8.19 3.71 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 0.78 0.00 0.00 0.94 0.00 0.00 1052 G 9.16 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1053 E 8.22 5.19 0.00 1.94 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.22 0.00 1054 V 9.06 5.02 2.25 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 0.82 0.00 0.00 1.15 0.00 0.00 1055 Y 8.96 5.23 0.00 3.08 3.15 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 1056 I 8.70 4.71 1.77 0.00 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.89 0.69 0.00 0.00 1057 K 8.73 4.73 0.00 1.24 1.35 0.00 1.19 0.00 0.00 0.61 0.00 0.00 2.69 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.92 0.58 7.81 1058 S 9.01 4.64 0.00 3.84 3.64 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 0.00 0.00 0.00 1059 T 8.54 3.81 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 1.15 0.00 0.00 1060 E 8.40 3.99 0.00 2.00 2.01 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 2.09 2.34 0.00 1061 T 7.66 4.27 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 1.26 0.00 0.00 1062 G 8.21 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 0.00 0.00 0.00 1063 Q 7.43 4.48 0.00 2.03 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.73 6.71 0.00 0.00 0.00 0.00 0.00 2.41 2.34 0.00 1064 Y 8.98 4.93 0.00 2.91 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 1065 L 9.29 4.40 0.00 1.60 1.48 0.77 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 1066 A 8.45 5.12 0.56 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 0.00 0.00 1067 M 8.51 5.44 0.00 2.27 2.19 0.00 0.00 0.00 0.00 0.00 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.68 0.00 1068 D 9.46 5.13 0.00 2.93 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 1069 T 8.59 4.25 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 1.33 0.00 0.00 1070 D 8.50 4.76 0.00 2.74 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 1071 G 8.44 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 0.00 0.00 0.00 1072 L 8.11 4.70 0.00 1.99 1.64 0.90 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 1073 L 8.61 4.90 0.00 1.57 1.62 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 1074 Y 8.99 4.94 0.00 3.15 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 1075 G 9.27 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 0.00 0.00 0.00 0.00 1076 S 9.16 5.11 0.00 3.94 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 1077 Q 9.11 4.46 0.00 2.15 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.52 0.00 0.00 0.00 0.00 0.00 2.42 2.42 0.00 1078 T 7.49 4.78 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 1.24 0.00 0.00 1079 P 0.00 3.86 0.00 1.49 0.56 0.00 3.64 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 1.72 1.60 0.00 1080 N 8.18 4.99 0.00 2.87 2.93 0.00 0.00 6.01 7.66 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 1081 E 8.71 3.91 0.00 2.11 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 0.00 2.35 2.32 0.00 1082 E 8.16 4.26 0.00 2.17 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.40 0.00 1083 C 7.77 4.95 0.00 3.21 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 L 7.07 4.11 0.00 1.52 1.30 0.82 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 1085 F 8.90 5.27 0.00 3.04 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 1086 L 9.29 4.91 0.00 1.57 1.62 0.88 0.78 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 1087 E 9.22 4.29 0.00 2.07 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 2.20 1.89 0.00 1088 R 8.54 4.62 0.00 1.76 1.77 0.00 3.33 0.00 0.00 3.08 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.70 0.00 1089 L 8.72 4.53 0.00 1.61 1.55 0.84 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 1090 E 9.29 4.82 0.00 2.29 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 2.36 2.57 0.00 1091 E 9.06 3.95 0.00 2.00 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 2.43 2.35 0.00 1092 N 8.04 4.47 0.00 2.72 2.85 0.00 0.00 6.05 7.90 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 1093 H 8.95 4.18 0.00 3.34 3.68 0.00 5.94 0.00 0.00 0.00 0.00 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1094 Y 7.96 4.70 0.00 3.05 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 1095 N 9.52 5.57 0.00 2.87 2.22 0.00 0.00 7.03 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 1096 T 8.70 5.40 4.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 1097 Y 8.89 5.06 0.00 2.90 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 1098 I 8.48 4.84 1.51 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 1.19 0.95 0.00 0.00 1099 S 9.08 4.20 0.00 4.17 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 1100 K 8.70 3.94 0.00 1.71 1.67 0.00 1.69 0.00 0.00 1.44 0.00 0.00 2.77 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.32 1.28 7.81 1101 K 7.90 3.81 0.00 1.58 1.59 0.00 1.83 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.84 1.26 7.81 1102 H 7.97 4.84 0.00 3.25 2.51 0.00 5.68 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1103 A 7.91 3.95 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 1104 E 7.96 4.13 0.00 2.00 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 2.12 2.16 0.00 1105 K 7.53 4.17 0.00 0.79 1.00 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.48 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.92 0.79 7.81 1106 N 7.79 3.84 0.00 2.98 3.14 0.00 0.00 6.94 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 1107 W 7.91 5.06 0.00 3.28 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 1108 F 8.97 5.37 0.00 3.06 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 1109 V 9.15 4.09 2.12 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 0.59 0.00 0.00 0.53 0.00 0.00 1110 G 8.63 4.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1111 L 8.35 5.36 0.00 1.46 1.49 1.03 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 1112 K 9.36 4.27 0.00 1.96 1.69 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.50 7.81 1113 K 8.45 3.94 0.00 1.71 1.85 0.00 1.69 0.00 0.00 1.72 0.00 0.00 2.96 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.59 1.44 7.81 1114 N 8.11 4.62 0.00 2.81 2.89 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 1115 G 8.27 3.58 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 0.00 0.00 0.00 1116 S 7.95 4.73 0.00 3.90 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 1117 C 8.60 4.76 0.00 2.99 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 1118 K 8.66 4.62 0.00 1.76 1.74 0.00 1.77 0.00 0.00 1.78 0.00 0.00 3.13 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.36 1.38 7.81 1119 R 8.45 4.27 0.00 1.81 1.61 0.00 3.10 0.00 0.00 3.28 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.56 0.00 1120 G 8.74 3.52 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 0.00 1121 P 0.00 4.59 0.00 2.26 2.27 0.00 3.06 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.78 0.00 1122 R 7.75 4.42 0.00 1.90 2.00 0.00 3.28 0.00 0.00 3.27 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.73 0.00 1123 T 7.02 5.22 4.39 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 1.41 0.00 0.00 1124 H 8.07 4.90 0.00 3.42 3.54 0.00 5.47 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1125 Y 8.73 3.69 0.00 2.99 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 1126 G 6.91 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 1127 Q 7.07 3.88 0.00 1.93 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.76 0.00 0.00 0.00 0.00 0.00 2.20 1.92 0.00 1128 K 8.32 3.75 0.00 1.62 1.81 0.00 1.59 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.40 1.23 7.81 1129 A 7.79 3.93 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 1130 I 7.06 4.74 1.83 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.86 0.82 0.00 0.00 1131 L 7.33 4.93 0.00 1.51 1.77 0.66 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 1132 F 9.81 5.10 0.00 3.19 3.04 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 1133 L 8.85 4.41 0.00 0.27 1.37 0.67 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 1134 P 0.00 5.00 0.00 2.18 2.17 0.00 3.71 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.20 0.00 1135 L 9.08 4.68 0.00 1.58 1.65 0.91 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 1136 P 0.00 4.56 0.00 1.94 2.01 0.00 3.69 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 1137 V 8.64 3.53 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 0.64 0.00 0.00 0.88 0.00 0.00 *1138 S 7.85 4.28 0.00 3.64 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 * Residues marked with a * may have inaccurate shift predictions.