NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4593 8.3349 115.4132 58.0314 64.7071 174.9876 2 N 4.1772 8.3690 120.4518 57.3756 38.7916 174.9846 3 I 4.7249 7.9897 118.0348 60.2381 40.1893 172.7457 4 I 4.6485 7.7325 121.3149 62.4118 43.7176 176.4561 5 K 4.3226 8.0063 118.2508 58.2565 33.0205 178.3087 6 Q 4.2485 7.9532 114.2656 57.0675 28.8986 177.4437 7 L 4.1410 7.9030 121.1801 57.9306 42.1822 178.5671 8 E 3.9929 8.0959 118.3050 59.3623 29.3347 178.7154 9 Q 4.1103 8.1818 116.7112 58.9714 28.4910 178.6401 10 E 4.2597 7.7026 117.9487 58.2980 30.7265 177.6331 11 Q 4.6570 7.8351 117.2990 55.1709 26.8107 174.5052 12 M 4.4110 7.2889 122.0845 56.6807 39.9551 175.7005 13 K 4.4761 7.4893 121.3101 55.7916 31.7890 176.2476 14 Q 4.4497 9.3802 126.1398 57.0396 30.8068 174.2132 15 D 4.7391 7.7561 117.0550 53.6430 42.4724 176.4940 16 V 4.7183 7.7645 116.1378 60.4909 32.2013 174.9754 17 P 4.8077 0.0000 0.0000 62.4872 31.2455 179.5241 18 S 4.6367 9.0373 123.2900 58.0091 64.5733 175.8624 19 F 3.7399 8.5484 115.4943 58.3747 37.5208 175.2576 20 R 4.6439 7.7474 114.4963 55.0872 32.1170 169.5510 21 P 4.8107 0.0000 0.0000 60.3440 33.5224 176.5010 22 G 3.7070 8.2747 112.5635 44.5311 0.0000 172.4982 23 D 4.1651 8.9468 125.0637 56.7997 41.6971 173.7213 24 T 3.4882 8.2891 117.1718 65.3880 67.4184 173.6019 25 V 3.8348 7.9478 122.9497 63.1865 29.5647 177.1131 26 E 4.6010 8.1687 132.7970 55.3401 28.5210 177.3884 27 V 4.0903 7.3193 118.3238 60.6705 34.4132 176.0918 28 K 4.4823 7.9690 121.7648 55.3335 33.0359 176.7397 29 V 3.7422 8.3009 126.2976 61.7108 32.3736 175.0943 30 W 4.6662 8.7171 128.5065 57.7548 30.1883 175.2171 31 V 4.4241 9.2280 125.2042 60.8567 32.9170 176.2935 32 V 3.7104 8.3200 127.8487 63.5223 31.7903 177.2861 33 E 3.7015 8.5034 119.2861 56.4306 28.6242 175.1857 34 G 4.3946 9.8249 113.0711 46.4447 0.0000 173.1742 35 S 3.7108 8.0941 115.9404 56.7587 62.5372 169.8718 36 K 4.6565 8.1368 120.8007 54.4749 35.8336 179.4665 37 K 3.6014 8.1189 121.0166 58.0142 31.4659 179.7691 38 R 4.1362 8.5310 130.4371 57.5449 31.3506 170.4096 39 L 3.6209 8.4702 123.6541 54.6216 41.9090 172.7123 40 Q 4.1220 8.5524 121.8592 57.3201 30.6502 176.6167 41 A 2.8819 7.3855 119.8702 51.3882 17.8213 176.0929 42 F 5.0801 7.4960 108.0379 56.8503 39.5295 173.4242 43 E 5.2468 9.4774 123.1613 54.9282 34.3095 175.2965 44 G 4.8418 8.2986 107.9693 43.9344 0.0000 171.3769 45 V 4.6021 8.2673 120.3550 60.6368 33.9792 176.9499 46 V 4.0621 8.4566 126.8792 62.0262 31.4687 175.4958 47 I 4.5597 7.9848 123.3932 59.8726 39.9554 174.9448 48 A 4.3414 8.0760 121.1780 52.9493 21.9798 173.5492 49 I 3.7327 8.4025 120.6156 61.0832 37.2845 173.3573 50 R 4.5846 7.7376 118.1041 55.8181 35.2856 172.3645 51 N 4.5786 10.8549 118.2099 51.8284 37.3693 175.7252 52 R 4.9313 4.0000 123.8766 55.7370 34.1435 173.2877 53 G 3.2060 7.7487 116.6646 43.5854 0.0000 172.4223 54 L 4.3915 5.9558 127.8934 56.0730 45.2027 177.3460 55 H 3.9591 8.0417 116.9694 58.7537 27.4787 173.2804 56 S 3.7385 8.2111 113.8172 58.8030 63.2318 170.6014 57 A 4.0467 7.6898 131.3405 53.0543 19.3055 178.3508 58 F 4.6122 8.6494 125.4504 58.3029 39.0459 177.7118 59 T 4.2192 7.6502 117.6744 64.2432 67.6331 175.2911 60 V 4.0098 7.9900 125.1617 60.0644 36.9518 174.8737 61 R 4.3869 8.7460 116.1632 56.8707 26.5599 174.9247 62 K 4.2570 7.8114 115.3588 56.8211 32.9683 177.5308 63 I 4.1268 8.8224 127.3736 60.7722 38.7980 175.4222 64 S 4.7702 8.7214 120.4881 56.7129 64.2648 172.2174 65 N 4.7926 8.7849 126.5506 51.7383 40.8251 175.2355 66 G 3.7937 8.4450 113.2842 44.9223 0.0000 172.1807 67 E 3.7593 7.7996 117.1289 57.1390 29.0842 176.5387 68 G 4.2999 8.9549 117.4828 45.8858 0.0000 172.8802 69 V 4.0497 7.8914 114.3443 61.7012 31.7463 176.9565 70 E 4.3526 9.4001 116.3683 56.6986 32.4697 174.3721 71 R 4.3330 8.1191 121.6364 56.6650 30.0356 175.9354 72 V 3.7027 7.0117 111.0238 59.0577 32.9982 175.2474 73 F 4.8526 8.8532 125.2486 56.5172 41.9799 174.6699 74 Q 4.8706 8.9424 125.0338 54.8253 27.5267 174.1556 75 T 4.0134 7.8001 115.4307 62.7562 69.2298 175.0612 76 H 4.6387 8.8401 124.8247 56.4183 29.2048 174.5676 77 S 4.5598 7.8341 112.9998 60.4909 64.3365 171.9225 78 P 4.2548 0.0000 0.0000 62.1529 31.1128 174.3223 79 V 3.9167 8.0196 120.5126 62.5585 32.2854 172.3871 80 V 4.1422 7.1987 120.1383 58.7466 30.4558 175.7494 81 D 5.0477 7.3381 117.6882 53.6608 41.4924 179.3522 82 S 4.3469 8.2237 125.1400 57.6179 61.4749 173.9810 83 I 3.6284 7.7757 120.3597 62.4371 36.6727 175.4374 84 S 3.7355 8.9413 118.0631 61.3964 62.9657 179.6329 85 V 2.8528 6.9924 117.6441 64.8030 33.5701 174.7754 86 K 4.2016 8.0503 119.5242 55.6035 32.4024 176.8666 87 R 4.4927 8.5375 123.0815 54.6849 31.6867 174.8318 88 R 4.2198 8.6469 123.4576 57.0731 31.5461 176.2036 89 G 3.8093 7.9916 106.9186 44.0775 0.0000 172.7306 90 A 3.5999 8.7744 124.8470 55.2969 19.6800 177.9539 91 V 4.7715 9.0086 117.2043 60.9066 34.3205 174.8906 92 R 3.7578 9.1400 110.9965 56.9124 28.0003 171.8245 93 K 4.4861 7.8731 117.8863 53.5778 34.5607 175.2631 94 A 3.8361 8.9421 125.3282 54.8418 17.3942 177.1697 95 K 4.3435 8.8207 116.8367 55.4048 33.7346 176.6662 96 L 3.3474 7.6100 119.8326 55.5326 42.2001 172.0137 97 Y 3.7124 7.8137 112.9384 58.2879 39.2256 175.4980 98 Y 3.1114 8.7202 118.0731 58.8992 34.4048 170.1586 99 L 4.6183 7.4026 120.7266 54.0192 41.6447 178.5114 100 R 4.3565 7.4402 116.4287 54.9801 28.8007 176.8404 101 E 4.6393 7.8407 131.4556 56.3599 30.5210 176.0399 102 R 3.8717 7.6315 120.0989 56.7514 29.6323 176.2556 103 T 4.1855 7.7430 115.0589 62.3529 70.4246 172.5104 104 G 3.6790 8.6538 114.4945 46.3522 0.0000 170.6661 105 K 4.1726 7.8414 127.1227 56.9996 35.9597 175.7605 106 A 4.1324 8.9164 120.9753 54.0946 18.5360 178.5675 107 A 4.3568 7.2729 120.7473 50.4204 17.0029 177.6565 108 R 4.0888 7.7672 119.9737 56.0594 31.6198 177.4141 109 I 4.2049 8.0638 120.9822 64.1088 36.5617 177.3250 110 K 4.5265 6.9536 117.7246 55.7068 32.3093 175.9986 111 E 4.8514 8.3508 131.8675 53.3821 28.3080 176.3297 112 R 3.5470 8.7383 131.7030 57.5881 28.4357 176.1430 113 L 4.3391 7.9934 123.9043 54.3914 42.8234 174.5953 114 N 4.6167 8.3710 121.4945 53.0813 39.3709 174.6551 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 4.46 0.00 4.00 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 2 N 8.37 4.18 0.00 2.81 2.96 0.00 0.00 6.96 6.57 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 3 I 7.99 4.72 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 1.42 0.34 0.91 0.00 0.00 4 I 7.73 4.65 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 1.42 0.45 0.91 0.00 0.00 5 K 8.01 4.32 0.00 1.81 1.84 0.00 1.67 0.00 0.00 1.82 0.00 0.00 2.90 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.44 7.81 6 Q 7.95 4.25 0.00 2.03 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.11 0.00 0.00 0.00 0.00 0.00 2.38 2.42 0.00 7 L 7.90 4.14 0.00 1.74 1.77 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 8 E 8.10 3.99 0.00 2.10 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 2.40 2.46 0.00 9 Q 8.18 4.11 0.00 2.16 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.98 0.00 0.00 0.00 0.00 0.00 2.39 2.50 0.00 10 E 7.70 4.26 0.00 2.21 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 0.00 2.28 2.53 0.00 11 Q 7.84 4.66 0.00 2.22 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.75 0.00 0.00 0.00 0.00 0.00 2.48 2.51 0.00 12 M 7.29 4.41 0.00 1.96 2.23 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.45 0.00 13 K 7.49 4.48 0.00 1.53 1.57 0.00 1.55 0.00 0.00 1.68 0.00 0.00 2.66 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.30 1.27 7.81 14 Q 9.38 4.45 0.00 1.91 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.66 0.00 0.00 0.00 0.00 0.00 2.27 2.37 0.00 15 D 7.76 4.74 0.00 2.68 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 7.76 4.72 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 0.70 0.00 0.00 0.92 0.00 0.00 17 P 0.00 4.81 0.00 2.18 1.21 0.00 4.04 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.06 0.00 18 S 9.04 4.64 0.00 4.03 4.15 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 19 F 8.55 3.74 0.00 3.04 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 20 R 7.75 4.64 0.00 1.80 1.86 0.00 3.35 0.00 0.00 3.38 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.54 0.00 21 P 0.00 4.81 0.00 2.31 2.11 0.00 3.93 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 2.14 2.06 0.00 22 G 8.27 3.71 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 0.00 0.00 0.00 23 D 8.95 4.17 0.00 2.73 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 24 T 8.29 3.49 4.22 0.00 0.00 0.00 0.00 0.00 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 25 V 7.95 3.83 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 0.99 0.00 0.00 1.03 0.00 0.00 26 E 8.17 4.60 0.00 1.97 1.91 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 2.61 2.22 0.00 27 V 7.32 4.09 2.15 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 0.72 0.00 0.00 0.76 0.00 0.00 28 K 7.97 4.48 0.00 1.10 1.40 0.00 1.60 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.24 7.81 29 V 8.30 3.74 2.02 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 1.03 0.00 0.00 0.89 0.00 0.00 30 W 8.72 4.67 0.00 3.26 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 31 V 9.23 4.42 2.40 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 1.01 0.00 0.00 0.86 0.00 0.00 32 V 8.32 3.71 2.30 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 0.82 0.00 0.00 1.04 0.00 0.00 33 E 8.50 3.70 0.00 2.41 1.42 0.00 0.00 0.00 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 2.32 0.00 34 G 9.82 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 35 S 8.09 3.71 0.00 4.00 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 36 K 8.14 4.66 0.00 1.75 1.70 0.00 1.97 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.34 1.36 7.81 37 K 8.12 3.60 0.00 1.86 0.89 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.35 1.34 7.81 38 R 8.53 4.14 0.00 1.73 1.85 0.00 3.39 0.00 0.00 3.21 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.68 0.00 39 L 8.47 3.62 0.00 1.78 1.60 0.90 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 40 Q 8.55 4.12 0.00 1.95 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.17 0.00 0.00 0.00 0.00 0.00 2.28 2.30 0.00 41 A 7.39 2.88 1.18 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 0.00 0.00 42 F 7.50 5.08 0.00 2.96 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 43 E 9.48 5.25 0.00 2.01 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 0.00 2.48 2.53 0.00 44 G 8.30 4.84 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 0.00 0.00 0.00 45 V 8.27 4.60 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 0.96 0.00 0.00 1.21 0.00 0.00 46 V 8.46 4.06 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 0.79 0.00 0.00 0.93 0.00 0.00 47 I 7.98 4.56 1.90 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 1.27 0.84 0.94 0.00 0.00 48 A 8.08 4.34 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 49 I 8.40 3.73 1.99 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.46 1.10 0.00 0.00 50 R 7.74 4.58 0.00 1.61 1.74 0.00 3.21 0.00 0.00 3.30 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.41 0.00 51 N 10.85 4.58 0.00 2.62 2.39 0.00 0.00 6.15 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 4.00 4.93 0.00 1.97 1.92 0.00 3.04 0.00 0.00 2.92 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.20 0.00 53 G 7.75 3.21 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 0.00 0.00 0.00 54 L 5.96 4.39 0.00 1.46 1.43 0.84 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 55 H 8.04 3.96 0.00 3.08 3.28 0.00 5.88 0.00 0.00 0.00 0.00 8.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 S 8.21 3.74 0.00 4.18 3.81 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 57 A 7.69 4.05 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 58 F 8.65 4.61 0.00 2.95 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 59 T 7.65 4.22 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 0.85 0.00 0.00 60 V 7.99 4.01 1.96 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 0.58 0.00 0.00 0.93 0.00 0.00 61 R 8.75 4.39 0.00 1.96 2.00 0.00 3.32 0.00 0.00 3.95 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 62 K 7.81 4.26 0.00 1.61 1.80 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.76 1.46 7.81 63 I 8.82 4.13 1.95 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 1.11 0.61 0.97 0.00 0.00 64 S 8.72 4.77 0.00 3.83 3.74 0.00 0.00 0.00 0.00 0.00 0.00 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 8.78 4.79 0.00 2.84 2.66 0.00 0.00 6.81 7.92 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 66 G 8.45 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 67 E 7.80 3.76 0.00 2.13 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 2.27 0.00 68 G 8.95 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 69 V 7.89 4.05 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 70 E 9.40 4.35 0.00 1.92 1.77 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 2.20 2.31 0.00 71 R 8.12 4.33 0.00 2.02 2.07 0.00 3.41 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.72 0.00 72 V 7.01 3.70 2.24 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 0.97 0.00 0.00 0.97 0.00 0.00 73 F 8.85 4.85 0.00 3.10 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 74 Q 8.94 4.87 0.00 2.07 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.86 0.00 0.00 0.00 0.00 0.00 2.40 2.38 0.00 75 T 7.80 4.01 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 0.86 0.00 0.00 76 H 8.84 4.64 0.00 3.12 3.33 0.00 5.69 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 S 7.83 4.56 0.00 3.95 3.85 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 0.00 0.00 0.00 0.00 78 P 0.00 4.25 0.00 2.07 2.09 0.00 3.78 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.13 0.00 79 V 8.02 3.92 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 0.77 0.00 0.00 0.93 0.00 0.00 80 V 7.20 4.14 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 0.76 0.00 0.00 0.97 0.00 0.00 81 D 7.34 5.05 0.00 2.94 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 82 S 8.22 4.35 0.00 3.91 3.93 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 83 I 7.78 3.63 1.90 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 1.42 0.70 1.00 0.00 0.00 84 S 8.94 3.74 0.00 3.92 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 85 V 6.99 2.85 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 0.76 0.00 0.00 0.93 0.00 0.00 86 K 8.05 4.20 0.00 1.77 1.72 0.00 1.68 0.00 0.00 1.72 0.00 0.00 3.13 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.48 1.45 7.81 87 R 8.54 4.49 0.00 1.74 1.86 0.00 3.41 0.00 0.00 3.18 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.65 0.00 88 R 8.65 4.22 0.00 1.71 1.90 0.00 3.27 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.65 0.00 89 G 7.99 3.81 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 0.00 0.00 0.00 90 A 8.77 3.60 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 91 V 9.01 4.77 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 1.31 0.00 0.00 0.94 0.00 0.00 92 R 9.14 3.76 0.00 2.09 2.12 0.00 3.26 0.00 0.00 3.22 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 93 K 7.87 4.49 0.00 1.70 1.59 0.00 1.35 0.00 0.00 1.34 0.00 0.00 2.81 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.39 1.30 7.81 94 A 8.94 3.84 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 95 K 8.82 4.34 0.00 1.73 1.82 0.00 1.94 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.37 1.42 7.81 96 L 7.61 3.35 0.00 1.76 1.69 0.91 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 97 Y 7.81 3.71 0.00 3.24 3.31 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 98 Y 8.72 3.11 0.00 3.34 3.20 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 99 L 7.40 4.62 0.00 1.51 1.52 1.04 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 100 R 7.44 4.36 0.00 1.97 1.95 0.00 3.15 0.00 0.00 3.28 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.70 0.00 101 E 7.84 4.64 0.00 1.93 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 2.20 2.29 0.00 102 R 7.63 3.87 0.00 1.79 1.96 0.00 3.25 0.00 0.00 3.23 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 103 T 7.74 4.19 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 0.00 104 G 8.65 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 0.00 105 K 7.84 4.17 0.00 1.89 1.84 0.00 1.51 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.34 1.31 7.81 106 A 8.92 4.13 1.30 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 0.00 107 A 7.27 4.36 1.24 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 0.00 0.00 108 R 7.77 4.09 0.00 1.84 1.87 0.00 3.42 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.71 0.00 109 I 8.06 4.20 1.84 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 1.39 0.77 0.87 0.00 0.00 110 K 6.95 4.53 0.00 1.75 1.71 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.43 1.51 7.81 111 E 8.35 4.85 0.00 1.94 1.63 0.00 0.00 0.00 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 2.27 0.00 112 R 8.74 3.55 0.00 1.93 1.94 0.00 3.40 0.00 0.00 3.15 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.53 0.00 113 L 7.99 4.34 0.00 1.61 1.54 0.93 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 114 N 8.37 4.62 0.00 2.70 2.64 0.00 0.00 7.02 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