NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6401 8.1476 118.3362 55.0024 33.6464 173.8077 2 V 4.1038 8.1385 117.7943 61.2791 33.0644 173.7646 3 K 5.1831 10.3111 122.8427 54.8788 37.7818 176.3236 4 I 4.8548 8.3379 121.2203 59.9880 39.6651 175.2168 5 R 4.7481 9.1977 124.0532 55.1045 33.4281 173.1194 6 L 5.2638 8.5142 118.2341 53.5932 43.1466 176.1406 7 A 4.9248 8.9861 125.7247 50.1019 21.6355 175.4471 8 R 4.2764 8.5801 123.2828 56.2009 30.3038 176.1832 9 F 4.7129 9.3752 122.8150 56.2221 41.8261 177.0404 10 G 4.1267 8.4013 105.7078 45.0647 0.0000 176.3685 11 S 4.4478 8.6054 122.0986 56.2247 65.8737 173.3396 12 K 3.8447 8.5075 121.2825 58.5838 31.7690 175.9912 13 H 4.1569 8.9590 120.8022 56.5124 27.4177 174.3289 14 N 5.0380 8.7128 118.3117 51.3724 38.6114 171.8215 15 P 4.5050 0.0000 0.0000 63.2792 33.1348 177.7870 16 H 4.5593 8.3092 119.4268 55.0010 32.8791 172.6093 17 Y 5.1308 8.9213 121.8801 57.1184 40.7873 174.9467 18 R 4.9997 9.1938 119.1337 54.3746 33.7011 175.5174 19 I 4.3134 8.2412 126.2474 61.4878 38.2400 175.5680 20 V 4.5781 9.4318 126.8094 61.2886 35.7856 173.4412 21 V 4.4850 8.2538 125.9264 61.6767 32.9601 174.6654 22 T 4.7729 8.5453 121.4205 60.7565 71.8180 172.1144 23 D 4.6844 8.6270 123.5914 53.5575 41.9725 176.9254 24 A 4.0655 8.3160 128.5739 55.3726 18.4915 179.3931 25 R 4.0907 9.3444 114.7706 58.1957 30.4424 177.3055 26 R 4.1459 7.5182 117.9244 55.1429 30.8626 176.1425 27 K 4.1472 8.4599 122.2524 56.7967 33.1035 178.0775 28 R 3.9627 8.5548 116.6701 59.2484 29.5777 177.1128 29 D 4.7093 8.0467 115.9719 53.8668 40.8876 176.5859 30 G 3.8594 7.3540 109.7533 43.7123 0.0000 172.9031 31 K 3.5463 8.5536 120.9569 56.9650 31.6246 176.2015 32 Y 4.6587 7.5851 124.3845 56.0651 39.6059 175.4179 33 I 4.1517 8.6857 120.8831 63.1054 38.0008 176.2813 34 E 5.0017 7.7756 119.8974 55.5149 32.6796 174.6527 35 K 4.4431 8.8988 127.0165 54.5174 33.8095 175.6861 36 I 4.5973 9.2955 119.3486 59.0764 39.5011 175.4108 37 G 4.4381 7.3357 109.3967 47.5033 0.0000 170.7054 38 Y 5.2283 7.4005 116.4878 56.3930 42.1968 173.4723 39 Y 5.3515 9.1061 120.3925 56.7198 43.0743 172.8451 40 D 4.7381 9.2853 127.5554 51.6602 42.0963 174.8862 41 P 4.3580 0.0000 0.0000 64.4013 31.4020 177.4466 42 R 4.1180 7.7629 116.7533 55.8067 30.0461 177.4109 43 K 3.8021 7.5378 117.0238 57.8467 29.1573 175.8381 44 T 4.0089 8.8345 111.2285 63.4440 69.7460 175.2724 45 T 4.8231 7.3092 111.8933 59.0934 71.8524 172.2549 46 P 4.4730 0.0000 0.0000 65.3214 31.7809 176.4384 47 D 4.8176 7.5982 119.2426 52.8400 39.9809 175.4943 48 W 4.9824 7.6514 115.2800 56.1683 30.2822 177.0955 49 L 4.5039 7.0177 118.4725 54.6131 44.4338 173.5835 50 K 4.4165 7.7556 126.9773 54.5969 35.9952 175.1193 51 V 4.5898 7.9008 125.4304 61.3090 34.5211 175.4320 52 D 4.6556 8.9588 129.9062 52.7033 39.4093 176.5319 53 V 3.7523 7.8314 123.8367 64.4389 31.2047 178.2496 54 E 3.9945 8.1434 117.9909 59.3077 29.6577 179.1862 55 R 3.9952 8.9403 119.1365 58.7646 30.1475 178.4046 56 A 4.0733 8.4072 121.0483 55.7027 18.1504 179.7352 57 R 3.8050 7.6218 114.4696 59.6876 30.4077 178.3604 58 Y 4.0948 7.6979 119.2099 60.4778 38.7380 178.0597 59 W 3.7862 8.1000 119.5142 59.8702 29.0937 178.4127 60 L 3.9341 8.3125 119.1487 57.9402 40.8472 179.4135 61 S 4.3889 7.8284 112.1424 59.7932 63.1784 175.1456 62 V 4.1150 7.6648 115.1083 60.9003 31.9120 175.8867 63 G 3.9978 8.0714 107.7214 45.2820 0.0000 174.7443 64 A 4.2273 8.1888 120.8302 53.1152 19.1085 176.8203 65 Q 4.6682 8.9418 122.0429 53.4809 30.6772 173.7959 66 P 5.6082 0.0000 0.0000 62.0457 32.8688 176.2476 67 T 4.1640 8.3320 117.7754 63.4137 69.6939 175.3740 68 D 4.4349 8.6776 122.2755 57.7797 40.6912 179.2846 69 T 3.8660 7.7884 115.7642 66.2182 68.6354 176.6291 70 A 3.8744 7.8375 122.2585 55.0963 18.4669 179.3510 71 R 3.9732 8.3858 117.6184 59.6416 30.1406 178.4231 72 R 3.8793 7.8831 118.3853 59.5995 29.8735 178.4780 73 L 3.8123 7.9784 118.5252 57.7579 41.6207 179.3396 74 L 3.8704 8.3751 119.2852 57.7088 41.4350 179.5516 75 R 4.0559 8.6351 118.9040 59.7899 29.9143 178.0669 76 Q 3.7154 7.7500 117.5630 58.9328 28.8340 177.5191 77 A 4.5175 7.4392 119.5915 51.0256 20.1183 176.9509 78 G 3.8954 8.6081 107.4985 48.1515 0.0000 176.2132 79 V 3.4752 7.6486 120.0248 64.7113 31.7860 176.4454 80 F 4.5966 7.5125 115.1836 57.0765 39.6208 175.4897 81 R 3.9765 8.0139 121.8152 56.7253 29.6635 175.6728 82 Q 4.3954 8.9628 123.0878 57.3380 29.9374 178.8451 83 E 3.4708 7.2715 117.2570 58.7689 30.3387 176.5229 *84 A 4.1104 7.7520 123.6046 52.4122 18.9361 176.1804 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 1 M 8.15 4.64 0.00 2.09 2.33 0.00 0.00 0.00 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.51 0.00 2 V 8.14 4.10 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 0.83 0.00 0.00 0.85 0.00 0.00 3 K 10.31 5.18 0.00 1.61 1.84 0.00 1.60 0.00 0.00 1.64 0.00 0.00 3.00 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.34 1.52 7.81 4 I 8.34 4.85 1.88 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 0.83 0.89 0.00 0.00 5 R 9.20 4.75 0.00 1.77 2.00 0.00 2.76 0.00 0.00 3.17 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.63 0.00 6 L 8.51 5.26 0.00 1.48 1.75 0.86 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 7 A 8.99 4.92 1.61 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 0.00 0.00 8 R 8.58 4.28 0.00 1.85 1.73 0.00 3.20 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.03 0.00 9 F 9.38 4.71 0.00 3.05 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 10 G 8.40 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 0.00 0.00 0.00 11 S 8.61 4.45 0.00 3.90 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 12 K 8.51 3.84 0.00 1.66 1.72 0.00 1.81 0.00 0.00 1.53 0.00 0.00 2.72 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.00 1.32 7.81 13 H 8.96 4.16 0.00 3.35 3.36 0.00 5.69 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 N 8.71 5.04 0.00 2.66 2.75 0.00 0.00 6.93 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 15 P 0.00 4.50 0.00 1.85 1.90 0.00 3.82 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 1.91 1.99 0.00 16 H 8.31 4.56 0.00 3.20 3.26 0.00 5.80 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 Y 8.92 5.13 0.00 3.26 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 18 R 9.19 5.00 0.00 1.78 1.67 0.00 2.44 0.00 0.00 2.85 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.47 0.00 19 I 8.24 4.31 1.76 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.99 0.87 0.00 0.00 20 V 9.43 4.58 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 0.80 0.00 0.00 0.23 0.00 0.00 21 V 8.25 4.49 1.41 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 -0.49 0.00 0.00 0.18 0.00 0.00 22 T 8.55 4.77 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 1.21 0.00 0.00 23 D 8.63 4.68 0.00 2.72 2.52 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 24 A 8.32 4.07 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 R 9.34 4.09 0.00 1.82 2.01 0.00 3.17 0.00 0.00 3.16 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.57 0.00 26 R 7.52 4.15 0.00 1.82 1.85 0.00 3.34 0.00 0.00 3.32 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.57 0.00 27 K 8.46 4.15 0.00 1.97 1.94 0.00 1.55 0.00 0.00 1.86 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.50 1.54 7.81 28 R 8.55 3.96 0.00 2.00 2.14 0.00 3.10 0.00 0.00 3.29 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 29 D 8.05 4.71 0.00 2.59 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 30 G 7.35 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 0.00 0.00 0.00 31 K 8.55 3.55 0.00 1.67 1.77 0.00 1.73 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.34 7.81 32 Y 7.59 4.66 0.00 3.18 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 33 I 8.69 4.15 1.61 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.60 0.95 0.00 0.00 34 E 7.78 5.00 0.00 2.14 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.29 0.00 35 K 8.90 4.44 0.00 1.58 1.67 0.00 1.72 0.00 0.00 1.76 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.31 1.24 7.81 36 I 9.30 4.60 1.90 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 1.10 0.59 1.02 0.00 0.00 37 G 7.34 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 Y 7.40 5.23 0.00 3.26 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 39 Y 9.11 5.35 0.00 3.12 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 40 D 9.29 4.74 0.00 2.91 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 41 P 0.00 4.36 0.00 2.23 2.16 0.00 3.26 0.00 0.00 5.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.08 0.00 42 R 7.76 4.12 0.00 1.72 1.88 0.00 3.18 0.00 0.00 3.19 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.50 0.00 43 K 7.54 3.80 0.00 1.41 0.97 0.00 1.15 0.00 0.00 1.17 0.00 0.00 2.39 0.00 0.00 2.56 0.00 0.00 0.00 0.00 0.30 0.21 7.81 44 T 8.83 4.01 4.26 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 1.25 0.00 0.00 45 T 7.31 4.82 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 1.27 0.00 0.00 46 P 0.00 4.47 0.00 2.28 2.33 0.00 3.82 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.03 0.00 47 D 7.60 4.82 0.00 2.77 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 48 W 7.65 4.98 0.00 3.82 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 49 L 7.02 4.50 0.00 1.33 0.81 0.86 0.25 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 50 K 7.76 4.42 0.00 1.15 0.74 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.17 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.19 1.23 7.81 51 V 7.90 4.59 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 0.71 0.00 0.00 0.77 0.00 0.00 52 D 8.96 4.66 0.00 2.71 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 53 V 7.83 3.75 1.97 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 0.74 0.00 0.00 0.87 0.00 0.00 54 E 8.14 3.99 0.00 2.20 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 2.73 2.38 0.00 55 R 8.94 4.00 0.00 2.15 2.20 0.00 3.37 0.00 0.00 3.49 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.99 0.00 56 A 8.41 4.07 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 57 R 7.62 3.81 0.00 2.00 2.02 0.00 3.14 0.00 0.00 3.12 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.76 0.00 58 Y 7.70 4.09 0.00 2.82 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 59 W 8.10 3.79 0.00 3.50 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 60 L 8.31 3.93 0.00 1.85 1.80 1.02 1.27 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 61 S 7.83 4.39 0.00 3.95 4.09 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 62 V 7.66 4.12 1.93 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 0.23 0.00 0.00 0.49 0.00 0.00 63 G 8.07 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 64 A 8.19 4.23 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 65 Q 8.94 4.67 0.00 1.99 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.91 0.00 0.00 0.00 0.00 0.00 2.54 2.43 0.00 66 P 0.00 5.61 0.00 2.21 2.11 0.00 3.42 0.00 0.00 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.98 0.00 67 T 8.33 4.16 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 1.21 0.00 0.00 68 D 8.68 4.43 0.00 2.66 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 69 T 7.79 3.87 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 70 A 7.84 3.87 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 71 R 8.39 3.97 0.00 1.93 2.14 0.00 3.01 0.00 0.00 2.85 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.54 0.00 72 R 7.88 3.88 0.00 2.03 2.10 0.00 3.13 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 73 L 7.98 3.81 0.00 1.73 1.49 0.33 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 74 L 8.38 3.87 0.00 1.87 1.45 0.89 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 75 R 8.64 4.06 0.00 2.21 2.20 0.00 3.14 0.00 0.00 3.11 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.84 0.00 76 Q 7.75 3.72 0.00 2.17 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.22 0.00 0.00 0.00 0.00 0.00 2.25 2.37 0.00 77 A 7.44 4.52 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 G 8.61 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 79 V 7.65 3.48 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 0.22 0.00 0.00 0.68 0.00 0.00 80 F 7.51 4.60 0.00 3.07 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 81 R 8.01 3.98 0.00 1.78 1.87 0.00 3.21 0.00 0.00 3.27 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 82 Q 8.96 4.40 0.00 2.20 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.34 0.00 0.00 0.00 0.00 0.00 2.27 2.37 0.00 83 E 7.27 3.47 0.00 2.02 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 2.31 2.31 0.00 *84 A 7.75 4.11 1.23 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 * Residues marked with a * may have inaccurate shift predictions.