NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.7416 8.1633 120.2793 55.3092 34.2190 173.9266 2 K 4.8344 8.9137 120.1256 53.7686 37.0990 173.6720 3 K 4.6429 9.8529 127.1122 55.8125 34.1724 174.9746 4 I 4.8388 9.0296 128.8920 59.6921 39.6482 174.3586 5 E 5.1522 9.5151 127.3710 54.6327 32.1189 174.7863 6 A 5.0299 8.8192 127.2548 50.0818 21.7905 174.8897 7 I 4.8437 8.4666 124.4652 59.9302 39.0747 175.1992 8 I 5.1333 8.6312 119.8432 58.6434 41.9930 174.9816 9 R 4.3174 8.3624 121.6243 55.6857 30.7009 176.0369 10 P 4.2810 0.0000 0.0000 65.8996 31.1502 178.6931 11 F 4.4503 8.3543 111.2044 59.1967 38.1722 176.5568 12 K 3.8394 7.3437 118.0573 56.6871 31.7837 178.3159 13 L 3.8801 7.7743 122.4988 58.2663 42.0361 178.3987 14 D 4.3315 8.0434 118.1753 57.4917 40.8352 178.3789 15 E 3.9135 8.0430 119.0798 59.2811 29.6222 179.0757 16 V 3.5527 7.7613 112.4319 64.2089 31.5385 178.3314 17 K 3.8522 8.2474 119.6359 59.7022 31.9813 178.8979 18 I 3.6698 7.9000 119.7096 64.2822 36.8983 178.2847 19 A 4.0119 8.0053 121.6602 55.0084 18.0911 179.7801 20 L 3.8936 8.2233 117.7945 58.0270 41.7316 179.8724 21 V 3.6165 7.9805 118.4105 66.1555 31.2274 177.7828 22 N 4.3578 8.4292 115.3642 55.8464 38.4286 176.2780 23 A 4.3887 7.5843 119.8369 52.0569 18.8545 177.9794 24 G 3.7192 8.2258 106.1938 45.5662 0.0000 174.6643 25 I 4.0542 7.5686 121.8032 59.4500 35.8648 174.6644 26 V 4.0492 8.6844 124.0883 61.2148 31.3361 174.0873 27 G 4.7511 7.7866 125.3816 45.6017 0.0000 169.4094 28 M 4.8223 7.7484 120.9584 54.6849 34.0153 174.1251 29 T 4.6808 8.7908 117.0332 61.7872 72.1720 173.0777 30 V 5.0458 8.4965 125.5237 61.1119 34.2168 174.5129 31 S 4.8357 9.0463 121.1837 56.5535 67.0627 172.5205 32 E 4.7679 8.6751 120.2137 56.0412 30.3799 176.2229 33 V 4.6291 8.8572 116.3376 59.9759 36.8970 174.1544 34 R 5.2349 8.4656 119.5381 54.8837 33.2611 175.6152 35 G 4.5806 9.2818 107.9105 45.1065 0.0000 171.5865 36 F 5.4400 8.5343 115.3687 54.7798 41.1934 174.1734 37 G 4.2863 8.5478 108.2896 43.1645 0.0000 173.8785 38 R 3.9540 8.5792 114.8461 58.5010 29.1558 177.4528 39 Q 4.1704 8.0509 116.0971 56.0660 28.7514 175.8204 40 K 3.6394 9.1174 118.0418 57.5390 30.4174 176.8353 41 G 3.9476 8.6791 107.3955 45.8119 0.0000 175.7800 *52 T 3.9825 8.2979 113.6847 62.8977 70.5117 173.4621 53 V 4.2413 7.8301 121.6103 60.1207 33.3887 174.5276 54 E 4.6539 8.2630 126.1353 54.6033 31.7885 175.4744 55 F 5.0043 8.7105 121.4613 56.9206 40.4647 175.0923 56 L 4.9445 8.8233 122.2676 52.6383 44.9754 175.6627 57 Q 4.5889 8.7039 123.4118 56.4349 29.7368 175.2099 58 K 4.8543 9.3505 124.8032 54.8398 37.4165 174.7194 59 L 5.0731 8.6488 120.7005 53.0032 44.7135 175.7688 60 K 4.8219 9.3237 124.8134 54.9810 34.0435 174.7813 61 L 4.9526 9.1686 128.5564 53.4590 43.8075 175.4668 62 E 5.1443 9.3562 123.3121 54.6154 32.8935 175.1267 63 I 4.7712 8.9941 125.1554 59.5978 41.3221 174.2500 64 V 4.7849 8.5065 127.0621 61.5189 33.0047 175.0193 65 V 4.6698 8.6918 119.8817 59.4268 36.9219 174.7319 66 E 4.3979 9.4726 121.3986 56.2646 30.2756 178.1166 67 D 4.3568 9.0019 121.2297 57.8813 40.8833 178.9301 68 A 4.2871 7.9124 118.0474 53.5122 18.8960 178.1585 69 Q 4.3743 8.1143 114.7272 56.1278 29.1089 177.7360 70 V 3.5870 7.5624 120.3226 66.2940 31.4619 177.4146 71 D 4.3636 8.1253 117.8239 57.8114 40.6309 178.9618 72 T 3.8511 7.8167 115.5771 66.5749 68.5365 176.8125 73 V 3.5676 7.8450 120.1456 65.9592 31.5319 178.0803 74 I 3.6633 8.0153 119.8004 64.5475 36.9895 178.0380 75 D 4.3573 8.2611 119.7712 57.4771 40.5936 179.2153 76 K 4.0174 8.2401 118.9091 59.2478 32.0457 179.4890 77 I 3.6252 7.8482 120.2011 64.4894 36.9270 178.6916 78 V 3.5177 7.9370 118.7971 65.9033 31.1074 177.9593 79 A 3.9805 7.9281 119.5503 54.7402 18.2652 178.9345 80 A 4.2957 8.0432 118.2765 54.4569 19.1247 178.9981 81 A 4.0598 8.4054 117.9324 52.6669 19.4131 177.9790 82 R 4.1678 7.1784 118.2876 56.5013 30.6447 176.1909 83 T 4.4791 9.6805 113.3780 60.7411 70.4697 175.1418 84 G 3.9886 8.8941 109.8027 44.9788 0.0000 173.0862 85 E 4.5875 7.8740 119.5899 54.1880 31.1676 175.6423 86 I 3.7067 8.1037 115.1861 62.9423 37.8223 176.1681 87 G 4.1043 9.0799 110.8961 45.3737 0.0000 174.7990 88 D 4.0836 7.4083 118.9324 55.6746 40.9501 175.6353 89 G 4.1932 7.7453 102.3202 45.1404 0.0000 172.4414 90 K 4.5324 8.0281 115.3711 54.8075 36.7426 175.6102 91 I 4.6742 7.8041 122.2227 59.4636 40.3673 174.9787 92 F 5.0891 9.1891 124.6542 55.6381 42.7057 174.0377 93 V 5.0915 8.6508 122.5618 61.1907 33.7169 174.5570 94 S 4.9419 9.0454 121.4653 55.7320 67.0309 171.3615 95 P 4.7054 0.0000 0.0000 62.7907 32.1100 175.5430 96 V 4.3422 8.1759 122.4524 61.5473 32.7502 175.2136 97 D 4.6054 8.9066 127.3720 56.1109 41.5722 176.6373 98 Q 4.7558 7.6851 117.6484 54.6733 32.3295 173.3948 99 T 4.8305 9.2466 120.6404 61.9118 72.5631 173.0591 100 I 5.0345 8.1367 124.5000 59.7347 41.4020 174.4836 101 R 4.2465 8.9875 128.2152 55.2689 30.4923 177.0190 102 I 3.7061 8.6513 128.1455 64.5562 37.5339 177.4317 103 R 4.0470 8.2243 119.1520 58.9665 29.9060 176.9721 104 T 4.3194 7.8229 104.5738 60.5947 70.4028 175.2748 105 G 3.9148 8.6186 109.7582 45.5353 0.0000 173.6966 106 E 4.1613 8.0473 119.5740 56.2629 30.3697 176.2218 107 K 5.1561 8.1416 119.4404 55.5701 36.9809 178.6225 108 N 3.9686 8.6870 119.7679 53.8041 39.1518 176.3243 109 A 4.7780 8.9304 129.9055 55.9320 17.6715 179.3830 110 D 4.3101 7.7942 115.2622 57.5900 41.0372 178.7693 111 A 4.1450 7.8385 119.1745 54.6576 18.4873 178.9275 112 I 4.0023 7.6098 117.6647 62.3879 37.8187 176.8582 113 S 4.1666 7.5091 113.9569 58.6302 62.4871 173.8871 114 A 4.1521 8.7656 128.6695 52.8231 18.3952 177.2666 115 W 4.1777 8.1728 121.9853 56.7300 29.3432 175.9629 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 8.16 4.74 0.00 2.00 2.23 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.73 0.00 2 K 8.91 4.83 0.00 1.62 1.72 0.00 1.68 0.00 0.00 1.62 0.00 0.00 2.84 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.55 1.61 7.81 3 K 9.85 4.64 0.00 1.83 1.69 0.00 1.60 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.43 7.81 4 I 9.03 4.84 1.87 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 1.24 0.62 0.90 0.00 0.00 5 E 9.52 5.15 0.00 2.16 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 2.26 2.28 0.00 6 A 8.82 5.03 1.16 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 7 I 8.47 4.84 1.85 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.14 0.93 0.00 0.00 8 I 8.63 5.13 1.77 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.88 0.84 0.00 0.00 9 R 8.36 4.32 0.00 1.67 1.97 0.00 3.15 0.00 0.00 3.63 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.67 0.00 10 P 0.00 4.28 0.00 2.24 2.16 0.00 3.73 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.10 0.00 11 F 8.35 4.45 0.00 3.23 3.19 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 12 K 7.34 3.84 0.00 1.63 1.61 0.00 1.50 0.00 0.00 0.87 0.00 0.00 2.77 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.30 1.17 7.81 13 L 7.77 3.88 0.00 1.81 1.64 0.89 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 14 D 8.04 4.33 0.00 2.73 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 15 E 8.04 3.91 0.00 1.98 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 2.35 2.39 0.00 16 V 7.76 3.55 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 0.66 0.00 0.00 0.95 0.00 0.00 17 K 8.25 3.85 0.00 1.86 2.00 0.00 1.61 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.46 7.81 18 I 7.90 3.67 1.85 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 0.56 0.90 0.00 0.00 19 A 8.01 4.01 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 20 L 8.22 3.89 0.00 1.78 1.69 0.89 0.75 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 21 V 7.98 3.62 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 1.04 0.00 0.00 0.94 0.00 0.00 22 N 8.43 4.36 0.00 2.75 2.86 0.00 0.00 7.03 6.98 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 23 A 7.58 4.39 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 24 G 8.23 3.72 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 0.00 0.00 0.00 0.00 0.00 0.00 25 I 7.57 4.05 1.95 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 1.17 0.90 0.89 0.00 0.00 26 V 8.68 4.05 1.94 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 0.72 0.00 0.00 0.74 0.00 0.00 27 G 7.79 4.75 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 28 M 7.75 4.82 0.00 1.96 1.98 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.51 0.00 29 T 8.79 4.68 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 1.21 0.00 0.00 30 V 8.50 5.05 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 0.83 0.00 0.00 0.92 0.00 0.00 31 S 9.05 4.84 0.00 3.86 3.88 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 32 E 8.68 4.77 0.00 1.87 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 2.29 2.34 0.00 33 V 8.86 4.63 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 0.76 0.00 0.00 0.95 0.00 0.00 34 R 8.47 5.23 0.00 1.47 1.89 0.00 3.18 0.00 0.00 3.28 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.50 0.00 35 G 9.28 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 36 F 8.53 5.44 0.00 3.01 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 37 G 8.55 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 38 R 8.58 3.95 0.00 1.99 2.14 0.00 3.23 0.00 0.00 3.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 39 Q 8.05 4.17 0.00 2.08 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.67 0.00 0.00 0.00 0.00 0.00 2.37 2.45 0.00 40 K 9.12 3.64 0.00 1.82 1.61 0.00 1.47 0.00 0.00 1.55 0.00 0.00 2.86 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.31 1.33 7.81 41 G 8.68 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 *52 T 8.30 3.98 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 1.15 0.00 0.00 53 V 7.83 4.24 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 -0.33 0.00 0.00 0.58 0.00 0.00 54 E 8.26 4.65 0.00 1.84 1.82 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 2.12 2.21 0.00 55 F 8.71 5.00 0.00 3.01 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 56 L 8.82 4.94 0.00 1.66 1.61 0.98 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 57 Q 8.70 4.59 0.00 2.09 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.49 0.00 58 K 9.35 4.85 0.00 1.67 1.66 0.00 1.72 0.00 0.00 1.69 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.60 1.59 7.81 59 L 8.65 5.07 0.00 1.57 1.53 0.91 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 60 K 9.32 4.82 0.00 1.80 1.68 0.00 1.66 0.00 0.00 1.68 0.00 0.00 2.85 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.37 1.43 7.81 61 L 9.17 4.95 0.00 1.74 1.54 0.89 0.75 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 62 E 9.36 5.14 0.00 1.95 1.82 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 2.32 2.26 0.00 63 I 8.99 4.77 1.87 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 1.10 0.67 0.97 0.00 0.00 64 V 8.51 4.78 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 0.94 0.00 0.00 65 V 8.69 4.67 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 0.72 0.00 0.00 0.94 0.00 0.00 66 E 9.47 4.40 0.00 1.99 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 2.45 2.46 0.00 67 D 9.00 4.36 0.00 2.71 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 68 A 7.91 4.29 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 69 Q 8.11 4.37 0.00 2.13 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.70 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 70 V 7.56 3.59 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 1.13 0.00 0.00 1.03 0.00 0.00 71 D 8.13 4.36 0.00 2.73 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 72 T 7.82 3.85 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 1.22 0.00 0.00 73 V 7.84 3.57 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 1.02 0.00 0.00 0.93 0.00 0.00 74 I 8.02 3.66 1.86 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 1.50 0.54 0.88 0.00 0.00 75 D 8.26 4.36 0.00 2.84 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 76 K 8.24 4.02 0.00 1.75 1.83 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.63 1.61 7.81 77 I 7.85 3.63 1.82 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.89 0.85 0.00 0.00 78 V 7.94 3.52 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 0.98 0.00 0.00 0.92 0.00 0.00 79 A 7.93 3.98 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 80 A 8.04 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 81 A 8.41 4.06 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 82 R 7.18 4.17 0.00 1.88 1.82 0.00 3.19 0.00 0.00 3.27 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.55 0.00 83 T 9.68 4.48 4.32 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 0.00 0.00 1.34 0.00 0.00 84 G 8.89 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 85 E 7.87 4.59 0.00 2.06 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 0.00 2.29 2.40 0.00 86 I 8.10 3.71 2.11 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.55 0.95 0.00 0.00 87 G 9.08 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 88 D 7.41 4.08 0.00 2.71 2.73 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 0.00 0.00 0.00 89 G 7.75 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 90 K 8.03 4.53 0.00 1.28 0.77 0.00 1.72 0.00 0.00 1.79 0.00 0.00 2.99 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.29 1.39 7.81 91 I 7.80 4.67 1.74 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.46 0.85 0.00 0.00 92 F 9.19 5.09 0.00 2.90 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 93 V 8.65 5.09 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 0.86 0.00 0.00 0.95 0.00 0.00 94 S 9.05 4.94 0.00 3.87 3.89 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 95 P 0.00 4.71 0.00 2.10 2.09 0.00 3.71 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 1.98 1.96 0.00 96 V 8.18 4.34 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 0.84 0.00 0.00 0.93 0.00 0.00 97 D 8.91 4.61 0.00 2.70 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 98 Q 7.69 4.76 0.00 1.95 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.71 0.00 0.00 0.00 0.00 0.00 2.24 2.38 0.00 99 T 9.25 4.83 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 1.22 0.00 0.00 100 I 8.14 5.03 1.87 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 1.23 0.46 0.97 0.00 0.00 101 R 8.99 4.25 0.00 1.88 1.81 0.00 3.28 0.00 0.00 3.17 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 102 I 8.65 3.71 1.87 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 1.30 0.65 0.91 0.00 0.00 103 R 8.22 4.05 0.00 1.77 1.97 0.00 3.20 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 1.62 1.63 0.00 104 T 7.82 4.32 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 1.25 0.00 0.00 105 G 8.62 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 E 8.05 4.16 0.00 2.07 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 2.34 2.30 0.00 107 K 8.14 5.16 0.00 1.77 1.66 0.00 1.81 0.00 0.00 1.82 0.00 0.00 2.90 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.41 1.61 7.81 108 N 8.69 3.97 0.00 2.83 1.89 0.00 0.00 7.04 7.01 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 0.00 109 A 8.93 4.78 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 0.00 110 D 7.79 4.31 0.00 2.90 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 0.00 111 A 7.84 4.15 1.44 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 0.00 112 I 7.61 4.00 2.01 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 1.59 0.89 0.94 0.00 0.00 113 S 7.51 4.17 0.00 3.97 3.88 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 0.00 114 A 8.77 4.15 0.98 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 0.00 0.00 115 W 8.17 4.18 0.00 3.55 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 * Residues marked with a * may have inaccurate shift predictions.