NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4928 8.3344 116.7960 58.1710 64.9886 172.6161 2 N 4.5743 7.8183 117.2837 53.3671 45.0736 173.2892 3 I 4.0190 8.4347 118.8847 62.6878 39.7340 175.3860 4 I 4.0041 7.4122 119.6406 61.5763 37.9349 172.1941 5 K 3.8873 8.0535 119.5117 57.5536 30.6547 177.4189 6 Q 3.8344 7.9375 120.0204 58.7225 28.9398 179.1578 7 L 4.2375 7.2819 119.8443 57.3045 42.3586 178.1850 8 E 4.2295 7.9025 118.0958 58.8963 29.8863 178.1713 9 Q 3.7946 8.8911 119.0728 59.4747 28.1122 178.4127 10 E 4.2614 7.4165 112.9711 57.3754 29.4770 177.0558 11 Q 4.5351 8.6592 117.6904 55.7054 30.8887 175.3726 12 M 4.0928 7.7384 118.5560 53.9003 32.8249 176.4447 13 K 4.1849 8.5736 123.1294 56.7364 32.9124 177.4329 14 Q 4.5923 7.9609 121.3674 52.5891 27.9549 173.9180 15 D 4.5353 7.8137 121.9898 53.6833 41.3593 177.2851 16 V 3.6002 8.1147 114.1585 61.2373 31.2621 174.0653 17 P 4.4260 0.0000 0.0000 62.5371 31.9312 175.1679 18 S 4.2476 8.3199 112.8845 56.8493 62.6562 171.9023 19 F 4.3937 7.1140 127.6153 54.0639 40.0039 173.5482 20 R 4.2011 8.1434 123.8319 55.4670 31.4889 174.1604 21 P 4.4675 0.0000 0.0000 64.3428 31.7002 174.5187 22 G 4.1964 8.6620 108.1065 45.9325 0.0000 174.3466 23 D 4.6839 7.6807 118.0565 54.9431 41.2790 176.9019 24 T 4.2460 8.8116 115.3267 62.9010 68.4915 176.6330 25 V 3.1741 6.9901 118.9536 59.2085 32.2025 173.0878 26 E 4.9563 8.8901 126.6033 54.3971 31.9723 174.3985 27 V 4.4356 8.8230 128.0305 61.1642 32.9778 175.3390 28 K 4.6248 8.5375 127.9837 56.5559 33.2049 176.9730 29 V 4.6884 8.1306 121.5434 61.2131 35.2097 174.0431 30 W 4.9266 8.3140 127.0752 57.2478 30.0128 176.1290 31 V 4.4479 8.5367 120.9442 60.7963 34.6783 173.7562 32 V 4.0936 8.8727 124.5433 62.1875 31.4025 175.7052 33 E 3.3540 9.4068 122.6389 58.4453 29.4017 178.1714 34 G 4.1128 9.2131 101.1566 46.4807 0.0000 173.6251 35 S 4.6400 8.0855 110.6412 57.4421 65.2208 172.9780 36 K 4.8313 7.8868 119.5437 54.4989 35.8646 175.3816 37 K 5.4005 8.5110 117.9705 54.3835 32.1313 175.2180 38 R 4.8112 8.0766 125.4640 55.3011 33.3366 175.2778 39 L 4.6314 8.0873 118.5740 53.8211 43.1033 176.3441 40 Q 4.6777 9.0935 124.2887 54.2031 31.7384 174.2404 41 A 4.9325 8.5958 127.7385 51.2332 20.6607 176.2489 42 F 4.6977 9.1539 122.4356 56.4734 42.7356 173.3751 43 E 5.0812 8.5120 126.0530 53.8306 32.5973 175.3476 44 G 3.8845 7.5836 110.7068 46.1004 0.0000 171.1178 45 V 4.3992 7.5763 120.3362 60.9342 33.2531 176.6884 46 V 4.3028 8.2051 128.5605 64.0177 32.1758 175.9717 47 I 4.6431 9.0440 118.8189 60.4074 39.3752 174.5420 48 A 4.8883 7.6753 123.1378 51.2256 22.6004 175.2576 49 I 4.8078 8.1667 120.3570 60.7525 40.6701 173.7421 50 R 3.6487 8.7818 119.8702 58.4091 29.3093 176.1877 51 N 4.2985 10.9700 115.7860 52.7663 35.8422 174.6400 52 R 4.5883 9.1915 124.1914 56.8811 34.3574 175.9489 53 G 3.9357 7.7108 114.4979 45.9831 0.0000 176.1055 54 L 3.9808 8.6433 125.9212 57.3130 41.7904 176.8832 55 H 4.9245 8.4471 113.5643 55.7787 30.1496 174.8738 56 S 4.3011 7.9477 115.9933 59.1796 64.0500 173.9430 57 A 5.0824 8.7650 124.3799 51.4184 22.3975 175.9604 58 F 5.0623 9.0635 118.3261 56.6038 40.8774 174.6683 59 T 5.0796 8.7383 114.7902 61.8343 72.1347 173.4336 60 V 4.8449 8.9884 127.2681 61.0616 33.8009 174.9474 61 R 4.5941 8.8387 128.1837 56.3880 30.6924 177.4753 62 K 4.0582 8.6423 122.1313 55.4243 34.7350 176.3447 63 I 3.2467 7.7329 118.3403 62.2261 34.4879 173.9783 64 S 4.0318 8.1363 113.3376 58.4836 63.3401 174.0129 65 N 3.9148 7.6604 123.5561 56.2194 36.4550 173.0994 66 G 4.0190 8.8741 114.8828 44.5990 0.0000 173.1042 67 E 4.6044 8.7800 121.9967 54.3910 33.9440 174.5082 68 G 3.9590 8.7833 107.2051 47.0739 0.0000 173.5323 69 V 4.7109 8.4631 114.9302 59.3331 35.6719 174.1680 70 E 5.2382 8.9432 124.0005 54.5790 32.1191 175.2836 71 R 4.1725 8.5190 123.5053 54.4014 33.2162 174.3350 72 V 4.4561 7.9690 119.8328 60.0469 32.3821 175.5105 73 F 4.2082 8.2586 125.1821 56.5690 40.9126 175.7497 74 Q 4.7132 8.4579 121.7706 54.4938 28.6828 176.4930 75 T 3.9861 8.6931 116.1250 64.5363 68.9073 175.1171 76 H 4.8565 8.0666 117.0564 55.4931 29.0899 175.0064 77 S 4.4136 8.3340 116.1741 57.2843 62.8150 173.3977 78 P 4.3626 0.0000 0.0000 65.8470 31.2133 177.8560 79 V 4.1257 8.6321 109.8344 62.2622 31.5510 177.6407 80 V 3.8635 7.7263 120.0351 64.9364 32.2132 175.9224 81 D 5.1477 9.1716 121.8300 54.2729 40.8087 173.9485 82 S 4.5774 7.3579 112.4903 56.8578 65.9477 172.1785 83 I 4.7849 8.4234 126.9637 59.4625 40.2630 173.9814 84 S 4.8891 8.6321 124.3265 56.6493 66.0632 175.5302 85 V 3.3594 8.4032 120.9367 64.3747 32.1874 177.1391 86 K 4.1944 9.1570 123.6928 55.2405 30.3360 175.8368 87 R 4.6183 7.2787 116.8969 54.7016 34.3248 173.2753 88 R 4.8354 8.7554 125.7843 54.8473 31.5422 174.6914 89 G 4.3889 8.9977 113.6703 44.8704 0.0000 171.2267 90 A 4.8655 8.7333 124.0691 50.3499 19.8557 177.3781 91 V 4.3011 8.5096 112.8298 60.4543 36.5341 175.6775 92 R 3.5998 7.9723 114.0534 54.8999 27.8498 175.5690 93 K 4.4548 7.0562 121.1202 57.1020 35.0086 173.6298 94 A 4.3431 8.6036 127.5939 52.6607 19.8914 177.2251 95 K 4.3261 7.6710 114.3981 54.4536 34.2075 176.2330 96 L 4.0875 8.5274 126.8686 55.1511 42.8664 178.8679 97 Y 4.4216 7.5517 119.3067 61.1955 37.7328 177.3119 98 Y 4.3711 7.8999 117.9602 59.5098 37.8102 178.0195 99 L 4.0192 7.3551 120.3193 57.3520 41.7092 178.8178 100 R 4.2071 8.0033 116.7116 57.3208 30.4727 176.5085 101 E 4.8415 7.8811 118.8768 56.3238 30.3244 176.5325 102 R 4.2520 7.8624 115.9793 57.9003 32.7570 174.8968 103 T 3.0013 8.9037 112.8085 62.8283 66.6391 172.1811 104 G 3.6895 8.6264 117.8148 45.3213 0.0000 175.7419 105 K 3.4939 7.8494 112.9898 58.0763 33.4136 176.2134 106 A 4.1724 7.8843 127.0483 54.1023 18.9842 178.1171 107 A 4.4061 8.0132 118.6710 53.5288 19.7566 178.4160 108 R 4.2593 7.5285 113.9187 56.1882 30.7399 176.0657 109 I 4.6506 7.8055 111.8914 58.7379 40.5958 175.2139 110 K 4.0127 8.6519 123.0830 57.2244 33.2805 175.5285 111 E 4.9114 8.5398 120.6053 55.6095 31.0148 176.5978 112 R 4.1430 9.0729 120.0689 55.6678 30.7784 177.0461 113 L 3.6265 7.7404 118.3884 56.2043 39.1831 174.1414 114 N 4.5299 7.5096 119.3444 53.8146 37.3143 174.9357 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 S 8.33 4.49 0.00 3.88 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 2 N 7.82 4.57 0.00 2.69 2.75 0.00 0.00 6.96 7.06 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 3 I 8.43 4.02 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 1.41 1.49 0.91 0.00 0.00 4 I 7.41 4.00 1.95 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 1.31 0.66 0.92 0.00 0.00 5 K 8.05 3.89 0.00 1.99 1.71 0.00 1.63 0.00 0.00 1.74 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.46 7.81 6 Q 7.94 3.83 0.00 2.26 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.70 0.00 0.00 0.00 0.00 0.00 2.44 2.25 0.00 7 L 7.28 4.24 0.00 2.05 1.67 0.96 1.00 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 8 E 7.90 4.23 0.00 2.01 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 2.41 0.00 9 Q 8.89 3.79 0.00 2.13 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.94 0.00 0.00 0.00 0.00 0.00 2.56 2.38 0.00 10 E 7.42 4.26 0.00 2.11 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 0.00 2.43 2.34 0.00 11 Q 8.66 4.54 0.00 2.18 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.74 6.83 0.00 0.00 0.00 0.00 0.00 2.27 2.28 0.00 12 M 7.74 4.09 0.00 1.79 1.90 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.30 0.00 13 K 8.57 4.18 0.00 1.91 1.84 0.00 1.86 0.00 0.00 1.85 0.00 0.00 3.14 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.54 1.63 7.81 14 Q 7.96 4.59 0.00 2.12 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.13 0.00 0.00 0.00 0.00 0.00 2.21 2.31 0.00 15 D 7.81 4.54 0.00 2.77 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 16 V 8.11 3.60 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 0.85 0.00 0.00 0.98 0.00 0.00 17 P 0.00 4.43 0.00 2.23 2.12 0.00 3.89 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.37 0.00 18 S 8.32 4.25 0.00 3.73 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 19 F 7.11 4.39 0.00 2.97 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 20 R 8.14 4.20 0.00 2.01 1.97 0.00 3.20 0.00 0.00 3.40 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 21 P 0.00 4.47 0.00 2.20 2.05 0.00 3.81 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.09 0.00 22 G 8.66 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.68 4.68 0.00 2.98 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 24 T 8.81 4.25 4.34 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 1.25 0.00 0.00 25 V 6.99 3.17 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 0.44 0.00 0.00 0.68 0.00 0.00 26 E 8.89 4.96 0.00 2.14 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.19 0.00 27 V 8.82 4.44 1.62 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 0.52 0.00 0.00 0.56 0.00 0.00 28 K 8.54 4.62 0.00 1.64 1.49 0.00 1.54 0.00 0.00 1.55 0.00 0.00 2.97 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.33 1.33 7.81 29 V 8.13 4.69 2.28 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 1.05 0.00 0.00 1.07 0.00 0.00 30 W 8.31 4.93 0.00 3.31 3.12 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 31 V 8.54 4.45 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 0.68 0.00 0.00 0.99 0.00 0.00 32 V 8.87 4.09 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 0.83 0.00 0.00 0.96 0.00 0.00 33 E 9.41 3.35 0.00 1.96 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 2.36 2.39 0.00 34 G 9.21 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 35 S 8.09 4.64 0.00 3.82 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 36 K 7.89 4.83 0.00 1.85 1.72 0.00 1.52 0.00 0.00 1.90 0.00 0.00 3.08 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.47 7.81 37 K 8.51 5.40 0.00 1.79 1.80 0.00 1.18 0.00 0.00 2.47 0.00 0.00 2.89 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.37 1.16 7.81 38 R 8.08 4.81 0.00 1.93 2.18 0.00 2.97 0.00 0.00 3.37 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 39 L 8.09 4.63 0.00 1.24 1.30 0.25 0.15 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 40 Q 9.09 4.68 0.00 2.07 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.89 0.00 0.00 0.00 0.00 0.00 2.31 2.31 0.00 41 A 8.60 4.93 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.15 4.70 0.00 3.22 2.96 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 43 E 8.51 5.08 0.00 1.87 1.65 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 2.12 2.24 0.00 44 G 7.58 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 0.00 0.00 0.00 45 V 7.58 4.40 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 0.94 0.00 0.00 46 V 8.21 4.30 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 1.02 0.00 0.00 0.89 0.00 0.00 47 I 9.04 4.64 1.78 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.86 0.95 0.00 0.00 48 A 7.68 4.89 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 49 I 8.17 4.81 1.93 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.81 1.02 0.00 0.00 50 R 8.78 3.65 0.00 1.79 2.01 0.00 3.24 0.00 0.00 3.32 7.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.94 0.00 51 N 10.97 4.30 0.00 2.94 3.07 0.00 0.00 6.67 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 52 R 9.19 4.59 0.00 1.95 1.89 0.00 3.47 0.00 0.00 3.21 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.70 0.00 53 G 7.71 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 54 L 8.64 3.98 0.00 1.51 1.54 0.91 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 55 H 8.45 4.92 0.00 3.29 3.31 0.00 5.75 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 S 7.95 4.30 0.00 3.84 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 57 A 8.76 5.08 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 58 F 9.06 5.06 0.00 3.37 3.34 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 59 T 8.74 5.08 4.34 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 1.28 0.00 0.00 60 V 8.99 4.84 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 1.29 0.00 0.00 61 R 8.84 4.59 0.00 1.99 1.88 0.00 3.30 0.00 0.00 3.14 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.76 0.00 62 K 8.64 4.06 0.00 1.71 1.79 0.00 0.61 0.00 0.00 1.32 0.00 0.00 2.44 0.00 0.00 2.55 0.00 0.00 0.00 0.00 1.11 1.20 7.81 63 I 7.73 3.25 1.86 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 1.31 0.56 0.91 0.00 0.00 64 S 8.14 4.03 0.00 3.74 3.73 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 65 N 7.66 3.91 0.00 2.89 2.84 0.00 0.00 6.26 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 66 G 8.87 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 67 E 8.78 4.60 0.00 1.92 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 2.19 2.39 0.00 68 G 8.78 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 69 V 8.46 4.71 2.16 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 0.81 0.00 0.00 1.22 0.00 0.00 70 E 8.94 5.24 0.00 1.83 1.84 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 2.27 2.32 0.00 71 R 8.52 4.17 0.00 1.11 0.66 0.00 2.51 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.91 0.00 72 V 7.97 4.46 1.92 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 0.70 0.00 0.00 0.76 0.00 0.00 73 F 8.26 4.21 0.00 1.76 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 74 Q 8.46 4.71 0.00 1.99 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.88 0.00 0.00 0.00 0.00 0.00 2.32 2.26 0.00 75 T 8.69 3.99 4.76 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 1.61 0.00 0.00 76 H 8.07 4.86 0.00 3.24 3.38 0.00 5.70 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 S 8.33 4.41 0.00 3.89 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 78 P 0.00 4.36 0.00 2.11 2.12 0.00 3.78 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.15 0.00 79 V 8.63 4.13 2.20 0.00 0.00 0.00 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 1.02 0.00 0.00 80 V 7.73 3.86 2.33 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 0.81 0.00 0.00 0.99 0.00 0.00 81 D 9.17 5.15 0.00 3.27 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 82 S 7.36 4.58 0.00 3.84 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 83 I 8.42 4.78 1.79 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.81 0.94 0.00 0.00 84 S 8.63 4.89 0.00 3.89 3.87 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 0.00 0.00 0.00 0.00 85 V 8.40 3.36 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 0.72 0.00 0.00 0.97 0.00 0.00 86 K 9.16 4.19 0.00 1.92 2.04 0.00 1.70 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.27 1.32 7.81 87 R 7.28 4.62 0.00 1.82 1.68 0.00 3.12 0.00 0.00 3.26 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 88 R 8.76 4.84 0.00 1.90 1.79 0.00 3.21 0.00 0.00 3.34 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 89 G 9.00 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 0.00 0.00 0.00 0.00 90 A 8.73 4.87 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 91 V 8.51 4.30 2.14 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 0.84 0.00 0.00 0.98 0.00 0.00 92 R 7.97 3.60 0.00 1.99 2.02 0.00 3.14 0.00 0.00 3.15 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 93 K 7.06 4.45 0.00 1.87 1.84 0.00 1.70 0.00 0.00 1.75 0.00 0.00 3.11 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.33 1.30 7.81 94 A 8.60 4.34 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 95 K 7.67 4.33 0.00 1.41 0.74 0.00 1.59 0.00 0.00 1.76 0.00 0.00 3.16 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.73 0.98 7.81 96 L 8.53 4.09 0.00 1.62 1.32 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 97 Y 7.55 4.42 0.00 3.08 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 98 Y 7.90 4.37 0.00 3.17 3.27 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 99 L 7.36 4.02 0.00 1.64 1.71 0.64 0.62 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 0.00 100 R 8.00 4.21 0.00 1.94 2.01 0.00 3.32 0.00 0.00 3.23 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.71 0.00 101 E 7.88 4.84 0.00 1.95 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 2.27 2.30 0.00 102 R 7.86 4.25 0.00 1.99 1.96 0.00 3.55 0.00 0.00 3.36 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.92 0.00 103 T 8.90 3.00 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 1.23 0.00 0.00 104 G 8.63 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 0.00 105 K 7.85 3.49 0.00 1.88 1.82 0.00 1.70 0.00 0.00 1.83 0.00 0.00 3.00 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.47 1.37 7.81 106 A 7.88 4.17 1.31 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 0.00 0.00 107 A 8.01 4.41 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 0.00 108 R 7.53 4.26 0.00 1.78 1.90 0.00 3.23 0.00 0.00 3.51 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.62 0.00 109 I 7.81 4.65 1.92 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 1.43 0.67 0.98 0.00 0.00 110 K 8.65 4.01 0.00 1.71 1.82 0.00 1.67 0.00 0.00 1.83 0.00 0.00 2.85 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.56 1.47 7.81 111 E 8.54 4.91 0.00 1.83 1.87 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 0.00 2.25 2.39 0.00 112 R 9.07 4.14 0.00 1.81 1.97 0.00 3.30 0.00 0.00 3.37 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 113 L 7.74 3.63 0.00 1.82 1.76 0.92 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 114 N 7.51 4.53 0.00 2.78 2.87 0.00 0.00 6.19 7.56 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