NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 23 E 4.3073 8.4293 121.4755 55.5403 30.8422 174.7470 24 P 4.7204 0.0000 0.0000 60.5660 33.4851 173.2432 25 R 4.4722 8.3534 121.0901 54.4019 34.7056 174.8539 26 A 4.3694 8.7812 128.7945 52.3994 18.1534 176.9149 27 A 4.3685 9.0042 125.6360 53.8012 20.1990 177.6241 28 K 4.7699 7.7987 112.1217 55.0531 37.0467 175.5696 29 A 5.2688 8.3893 123.4937 50.6959 22.2067 175.5571 30 R 4.6669 8.8971 116.9986 55.2140 33.6257 173.0941 31 Y 4.9170 8.6350 121.6284 56.5412 40.9709 173.4391 32 D 4.6810 8.4859 127.0808 52.5448 42.1739 177.1454 33 R 3.6927 8.4990 126.2088 59.2708 30.5683 178.1006 34 S 4.1530 8.1487 111.5492 61.2619 62.0846 175.0027 35 S 4.3893 8.1967 111.9073 57.0922 63.1192 173.9412 36 A 4.1400 7.1509 121.1889 52.3432 16.6876 177.1074 37 R 4.6904 6.8252 116.0361 55.8440 34.5047 175.3710 38 V 4.4884 7.8991 121.2209 61.6718 32.9711 174.6941 39 I 4.3329 8.6196 130.5469 60.2904 38.7743 175.0878 40 V 4.7627 9.0276 127.8183 61.2461 33.9751 174.2174 41 D 4.9888 9.0130 129.4049 53.2051 41.7207 176.2035 42 L 4.6243 8.8195 124.9538 54.2713 42.4185 178.5935 43 E 3.9702 9.2653 123.9089 58.8194 29.7496 177.3052 44 N 4.6425 8.1077 114.4153 52.8244 37.4869 175.7453 45 G 3.9411 8.2578 108.8673 45.6397 0.0000 173.7956 46 C 4.6472 8.4820 117.9312 59.3823 30.3841 172.5183 47 T 5.1702 8.2952 115.1436 62.0948 71.9894 173.6361 48 F 5.1481 9.5597 127.7240 56.3165 42.5781 173.3729 49 A 5.3813 8.3726 126.7493 48.9002 21.5837 175.0781 50 F 4.9754 8.0068 116.2092 54.1324 42.2779 172.4775 51 P 4.6099 0.0000 0.0000 61.5126 31.3133 175.2818 52 P 4.6182 0.0000 0.0000 65.5782 31.5847 178.2191 53 R 4.2563 7.9600 116.5264 57.5762 30.0767 177.4564 54 L 4.2855 7.6182 116.7920 55.0845 42.4310 176.6027 55 A 4.6211 7.8169 123.1146 50.4217 19.9716 176.4841 56 Q 3.7083 7.6651 123.5403 57.4927 28.9504 176.6735 57 G 3.9606 8.9980 114.2386 45.2919 0.0000 173.5789 58 L 4.5061 7.6952 117.7330 54.0170 42.9185 177.9281 59 E 4.1714 7.9249 119.1966 58.1149 29.4008 178.0568 60 G 3.9600 7.8008 103.5315 44.8225 0.0000 173.1491 61 A 4.2218 7.5776 122.7755 51.7893 19.0218 178.5850 62 S 4.5411 8.3003 115.7031 57.1340 65.9123 175.2658 63 D 4.0906 8.5292 122.1327 57.8578 40.3481 178.7251 64 D 4.4328 8.1354 116.9905 58.0111 41.0428 179.0206 65 Q 4.1649 7.9795 117.7947 58.9285 28.4684 178.9424 66 L 4.0803 7.9181 120.2719 57.7337 41.2911 179.0549 67 C 4.3660 7.8071 115.0314 61.9875 28.0915 175.0457 68 A 4.2133 7.6564 120.9483 51.7221 18.2852 177.6876 69 V 2.4657 6.7094 118.0327 62.1981 31.7586 175.7555 70 E 4.6668 8.4731 121.8518 54.6749 34.2680 174.2507 71 I 4.7053 8.1754 122.3359 60.0656 38.8700 175.1090 72 L 4.7212 9.1139 126.1849 53.6785 46.4497 177.1139 73 G 4.2976 9.0444 107.8360 45.7070 0.0000 174.1770 74 Q 4.0894 8.5335 116.9486 56.6069 27.9547 178.0640 75 G 4.9621 6.9777 117.1152 46.4873 0.0000 172.7202 76 Y 4.6808 7.4503 116.0889 57.3603 39.5906 175.4035 77 G 4.4761 8.2111 107.2935 44.3215 0.0000 171.7795 78 L 5.1328 8.7364 123.9795 53.2533 43.9077 175.0838 79 H 5.6044 9.1267 123.0821 53.0671 33.7022 172.3271 80 W 4.4856 8.9698 124.1091 54.8328 31.5508 175.4665 81 E 3.9182 9.0839 126.6881 59.4226 29.8561 178.8379 82 T 3.9270 7.9893 116.2473 66.8488 68.7892 175.9405 83 L 3.9934 7.9719 118.4591 55.4444 42.4144 176.0377 84 D 4.3710 7.8972 117.3215 55.5877 39.8091 173.2878 85 V 4.5696 7.9663 119.0566 61.2652 35.6540 174.6879 86 D 5.5299 8.7353 125.8757 52.7437 44.4832 174.4832 87 L 4.9918 9.1939 123.3614 52.8910 45.6753 175.3319 88 S 4.9510 8.3120 116.1565 57.1321 63.5237 174.6067 89 L 3.8610 9.2034 130.3488 57.8258 42.1738 176.3168 90 P 4.2544 0.0000 0.0000 65.4799 31.7362 177.9924 91 G 3.6663 8.1999 107.2605 48.7306 0.0000 177.2794 92 L 3.8162 7.7040 119.4730 54.3885 40.6483 178.7723 *94 A 4.1113 8.0775 121.2257 51.3728 20.1571 178.5341 95 G 3.6770 7.9077 103.5646 45.0809 0.0000 173.3361 96 I 4.1450 7.4621 121.0677 59.9383 37.6120 175.7077 97 F 4.7027 8.5614 123.5338 56.6771 39.8783 175.5381 98 G 3.6843 7.3245 108.0507 45.2323 0.0000 172.8320 99 T 4.1427 8.2828 109.6830 61.2428 69.1856 175.0265 100 K 4.1642 8.7384 122.6570 59.5411 32.4908 178.4190 101 A 4.1642 8.2042 120.9564 55.1159 18.6427 178.8562 102 W 4.3013 8.2012 122.7529 58.0427 30.0915 177.4965 *104 A 4.1652 8.1426 123.9442 52.1414 20.2202 179.0813 105 K 4.3857 7.4573 117.9852 53.7645 31.1088 181.0104 106 R 4.5434 7.0116 115.6860 55.1526 31.6261 175.8941 107 A 4.1163 7.8844 125.0199 52.5158 18.4386 177.9840 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 23 E 8.43 4.31 0.00 1.97 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 0.00 2.31 2.59 0.00 24 P 0.00 4.72 0.00 2.28 2.01 0.00 3.83 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.98 0.00 25 R 8.35 4.47 0.00 1.67 1.57 0.00 2.21 0.00 0.00 2.91 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.65 0.00 26 A 8.78 4.37 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 27 A 9.00 4.37 1.26 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 0.00 0.00 0.00 28 K 7.80 4.77 0.00 1.83 1.64 0.00 1.64 0.00 0.00 1.82 0.00 0.00 2.81 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.41 1.43 7.81 29 A 8.39 5.27 1.17 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 30 R 8.90 4.67 0.00 1.89 1.99 0.00 2.75 0.00 0.00 3.09 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.56 0.00 31 Y 8.63 4.92 0.00 3.14 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 32 D 8.49 4.68 0.00 2.61 2.35 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 33 R 8.50 3.69 0.00 1.81 2.00 0.00 3.34 0.00 0.00 3.24 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.68 0.00 34 S 8.15 4.15 0.00 3.76 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 35 S 8.20 4.39 0.00 3.98 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 36 A 7.15 4.14 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 37 R 6.83 4.69 0.00 1.46 1.59 0.00 3.19 0.00 0.00 3.02 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 38 V 7.90 4.49 0.81 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 1.08 0.00 0.00 0.93 0.00 0.00 39 I 8.62 4.33 1.84 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 1.03 0.39 0.91 0.00 0.00 40 V 9.03 4.76 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 1.26 0.00 0.00 1.30 0.00 0.00 41 D 9.01 4.99 0.00 2.65 2.62 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 0.00 42 L 8.82 4.62 0.00 1.84 1.59 0.95 0.81 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 43 E 9.27 3.97 0.00 2.03 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 2.29 2.22 0.00 44 N 8.11 4.64 0.00 2.86 2.90 0.00 0.00 6.29 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 45 G 8.26 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 0.00 0.00 0.00 46 C 8.48 4.65 0.00 2.99 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 47 T 8.30 5.17 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 1.25 0.00 0.00 48 F 9.56 5.15 0.00 3.09 2.97 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 49 A 8.37 5.38 1.06 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 0.00 0.00 50 F 8.01 4.98 0.00 3.29 2.93 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 51 P 0.00 4.61 0.00 2.23 2.25 0.00 3.91 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.97 0.00 52 P 0.00 4.62 0.00 2.16 2.37 0.00 3.87 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 2.09 2.12 0.00 53 R 7.96 4.26 0.00 1.88 1.99 0.00 3.11 0.00 0.00 3.31 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.62 0.00 54 L 7.62 4.29 0.00 1.15 0.96 0.71 0.45 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 55 A 7.82 4.62 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 56 Q 7.67 3.71 0.00 0.93 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.47 0.00 0.00 0.00 0.00 0.00 1.89 1.26 0.00 57 G 9.00 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 58 L 7.70 4.51 0.00 1.65 1.33 -0.26 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 59 E 7.92 4.17 0.00 1.97 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 2.46 2.65 0.00 60 G 7.80 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 61 A 7.58 4.22 1.07 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 62 S 8.30 4.54 0.00 4.02 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 63 D 8.53 4.09 0.00 2.83 2.93 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 64 D 8.14 4.43 0.00 2.61 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 65 Q 7.98 4.16 0.00 2.27 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 66 L 7.92 4.08 0.00 0.85 1.02 0.32 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 67 C 7.81 4.37 0.00 3.14 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 68 A 7.66 4.21 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 69 V 6.71 2.47 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 0.64 0.00 0.00 0.21 0.00 0.00 70 E 8.47 4.67 0.00 1.88 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 2.13 2.34 0.00 71 I 8.18 4.71 1.81 0.00 0.00 0.83 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 0.47 0.90 0.00 0.00 72 L 9.11 4.72 0.00 1.45 1.46 0.65 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 73 G 9.04 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 0.00 0.00 0.00 0.00 74 Q 8.53 4.09 0.00 2.08 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.78 0.00 0.00 0.00 0.00 0.00 2.29 1.97 0.00 75 G 6.98 4.96 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 76 Y 7.45 4.68 0.00 2.90 2.91 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 77 G 8.21 4.48 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 0.00 78 L 8.74 5.13 0.00 1.87 1.45 1.31 0.68 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 79 H 9.13 5.60 0.00 3.19 3.01 0.00 5.76 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 W 8.97 4.49 0.00 3.23 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 81 E 9.08 3.92 0.00 2.09 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 2.42 2.45 0.00 82 T 7.99 3.93 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 1.23 0.00 0.00 83 L 7.97 3.99 0.00 1.68 1.68 0.74 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 84 D 7.90 4.37 0.00 2.81 2.69 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 85 V 7.97 4.57 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 0.82 0.00 0.00 0.94 0.00 0.00 86 D 8.74 5.53 0.00 2.65 2.59 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 0.00 87 L 9.19 4.99 0.00 1.75 1.55 1.09 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 88 S 8.31 4.95 0.00 3.87 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 89 L 9.20 3.86 0.00 1.59 1.84 0.89 1.00 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 90 P 0.00 4.25 0.00 1.99 2.02 0.00 3.74 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 1.96 2.13 0.00 91 G 8.20 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 L 7.70 3.82 0.00 1.63 1.53 0.16 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 *94 A 8.08 4.11 1.28 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 0.00 0.00 0.00 95 G 7.91 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 96 I 7.46 4.15 1.86 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.54 0.88 0.00 0.00 97 F 8.56 4.70 0.00 3.34 3.16 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 98 G 7.32 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 99 T 8.28 4.14 4.31 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 1.26 0.00 0.00 100 K 8.74 4.16 0.00 1.82 1.97 0.00 1.78 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.51 1.49 7.81 101 A 8.20 4.16 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 0.00 102 W 8.20 4.30 0.00 3.41 3.37 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 *104 A 8.14 4.17 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 0.00 105 K 7.46 4.39 0.00 1.83 1.66 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.38 1.28 7.81 106 R 7.01 4.54 0.00 1.49 1.66 0.00 2.32 0.00 0.00 2.78 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.26 0.00 107 A 7.88 4.12 1.19 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 * Residues marked with a * may have inaccurate shift predictions.