NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 17 Y 4.8429 8.0033 118.9397 57.2180 40.2959 177.1799 18 N 4.0485 7.4532 118.6967 54.9360 38.4939 175.8112 19 W 4.1206 8.1906 120.0441 59.6717 29.5374 178.2286 20 V 3.5946 7.9518 117.3284 66.0514 31.1075 177.5389 21 A 4.0324 8.3273 120.7659 55.6163 18.1839 178.9705 22 C 4.3623 8.6548 115.3527 59.9253 35.5599 176.4771 23 G 3.6460 8.5345 107.6889 48.0553 0.0000 175.6080 24 I 3.7120 8.1427 123.4839 63.7578 37.1483 177.9408 25 L 3.8994 8.3026 121.4097 58.4109 41.9058 178.4492 26 E 4.0154 8.7120 119.4344 59.3229 29.4211 178.8598 27 G 3.9219 8.6912 106.0298 48.0662 0.0000 175.7648 28 G 3.6230 8.2694 108.6860 47.4314 0.0000 175.8343 29 L 4.2366 8.0704 121.4129 57.0232 41.4727 179.6860 30 K 4.0370 8.2263 118.5753 58.9648 31.9041 179.0570 31 A 3.9906 8.1903 120.4683 55.2012 18.4317 179.3067 32 A 4.1660 8.3861 118.0868 52.9214 18.4825 178.1590 33 G 3.8349 7.6539 104.7010 46.7517 0.0000 174.9651 34 V 4.0820 7.8162 114.4561 61.3516 33.0066 176.3067 35 L 4.5100 7.7937 121.8038 53.9467 42.4686 175.0793 36 E 4.7341 8.4920 126.2753 53.6123 32.5035 174.8909 37 E 3.9274 8.6093 123.6555 57.1823 30.4111 176.6662 38 G 3.7144 8.4429 113.0378 46.7895 0.0000 173.0208 39 Q 4.5221 7.5535 118.6206 54.4939 31.5199 173.5301 40 Y 4.9979 7.8932 120.4104 56.2093 41.3198 176.4748 41 N 4.1414 8.6656 121.6653 57.2781 39.2555 177.2621 42 R 4.1889 8.4435 116.0008 58.2577 29.7513 178.2915 43 E 4.0394 8.1322 119.6630 59.1564 29.4478 178.5925 44 L 3.9979 8.0784 120.4202 57.7086 42.1882 178.5698 45 A 3.9716 7.8809 120.5147 55.3008 18.2380 179.3127 46 E 3.8875 8.0927 116.4250 59.5509 29.4748 179.5067 47 A 4.0214 7.7637 120.4408 55.3235 18.2659 179.6591 48 I 3.6392 7.9041 117.0642 64.4253 37.5225 178.3144 49 A 4.1211 8.4271 121.6385 55.2702 18.2222 179.6218 50 A 4.2874 8.6853 121.1876 54.4622 18.1049 179.7488 51 K 4.1241 7.8211 117.7370 58.6619 32.3001 177.7213 52 G 4.0941 7.6932 105.1744 45.2644 0.0000 174.1910 53 E 4.4960 7.3322 122.7378 54.1828 28.6958 175.6800 54 G 4.3533 7.4084 117.4424 45.0362 0.0000 173.8997 55 F 4.0413 9.1213 123.7983 60.9955 39.8720 177.1928 56 W 4.1837 8.3028 120.3598 59.9636 28.2277 178.3154 57 T 4.1900 7.9833 109.1430 64.6688 68.3949 176.8002 58 T 3.8818 7.2071 115.1585 64.9529 67.4376 176.1538 59 Q 3.7972 7.3929 118.8832 56.5633 28.9802 176.4300 60 F 4.9088 7.2868 118.8616 54.9108 41.1870 174.7711 61 P 4.3882 0.0000 0.0000 65.5194 31.1370 178.8106 62 Q 4.1216 8.1494 116.7334 58.7636 28.6308 178.4730 63 I 3.8812 7.9559 120.7886 64.1940 37.2149 178.3458 64 G 3.7423 8.2147 106.6631 47.9262 0.0000 175.1646 65 D 4.3557 8.5554 121.1380 56.6914 41.3130 177.9560 66 W 4.0952 8.5579 129.1320 60.5578 30.7364 177.1778 67 N 4.3114 8.7345 117.0323 56.8632 38.3888 176.6215 68 E 3.8977 8.0334 119.2387 59.5854 29.6000 178.7052 69 D 4.3266 8.1418 119.1001 57.7387 40.9232 179.3971 70 Q 3.6226 7.7339 117.6972 58.6700 28.6367 178.4955 71 A 3.8601 7.7996 121.4548 55.2510 18.4306 179.3179 72 A 3.9062 8.4296 119.1999 55.4633 18.3823 179.8022 73 A 3.8831 7.9789 119.1401 55.1968 18.5245 179.6926 74 L 3.9016 8.4537 119.0326 57.9949 42.0167 179.0588 75 A 4.0096 8.4946 121.4840 54.9890 18.3120 179.2241 76 D 4.2854 8.1019 117.5114 57.7216 40.8180 179.2862 77 R 3.8985 7.9967 118.2233 59.1707 29.9445 179.0214 78 A 3.9806 7.8847 120.5524 54.9417 18.3239 179.4399 79 Q 3.8669 8.2926 118.6940 59.6433 28.9776 178.7256 80 T 3.8567 7.7388 109.2697 64.7632 68.7496 174.8402 81 C 4.4614 7.6833 116.4666 56.6161 40.3772 174.3995 82 G 3.8769 7.9195 108.9063 45.8563 0.0000 175.0137 83 L 4.1572 8.0748 121.2898 56.8978 41.8426 177.5696 84 V 4.6428 7.2042 108.8094 59.1200 35.9063 175.9107 85 K 4.2785 8.6712 121.9772 56.1431 33.2079 176.6953 86 A 5.4489 8.3334 123.6342 51.2512 19.5880 177.1417 87 D 4.4365 8.6912 120.4114 54.2129 41.4416 176.8246 88 T 3.6911 8.1417 117.9370 62.9962 67.6148 172.0139 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 17 Y 8.00 4.84 0.00 3.27 3.23 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 18 N 7.45 4.05 0.00 2.37 2.52 0.00 0.00 7.04 6.79 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 19 W 8.19 4.12 0.00 3.41 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 20 V 7.95 3.59 2.29 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 1.16 0.00 0.00 1.06 0.00 0.00 21 A 8.33 4.03 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 C 8.65 4.36 0.00 3.15 3.13 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 23 G 8.53 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 24 I 8.14 3.71 2.02 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 1.43 0.71 0.93 0.00 0.00 25 L 8.30 3.90 0.00 1.81 1.88 0.91 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 26 E 8.71 4.02 0.00 2.15 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 0.00 2.32 2.35 0.00 27 G 8.69 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 0.00 0.00 0.00 28 G 8.27 3.62 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 0.00 0.00 0.00 29 L 8.07 4.24 0.00 1.72 1.73 0.91 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 30 K 8.23 4.04 0.00 2.09 1.85 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.45 7.81 31 A 8.19 3.99 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.39 4.17 1.32 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 0.00 0.00 0.00 33 G 7.65 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 V 7.82 4.08 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 0.74 0.00 0.00 1.03 0.00 0.00 35 L 7.79 4.51 0.00 1.58 1.57 0.99 0.82 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 36 E 8.49 4.73 0.00 1.96 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 2.19 0.00 37 E 8.61 3.93 0.00 1.93 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 2.28 2.34 0.00 38 G 8.44 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 39 Q 7.55 4.52 0.00 2.30 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.79 6.79 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 40 Y 7.89 5.00 0.00 2.88 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 41 N 8.67 4.14 0.00 2.93 3.30 0.00 0.00 7.16 7.02 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 42 R 8.44 4.19 0.00 2.16 2.40 0.00 2.96 0.00 0.00 3.17 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.70 0.00 43 E 8.13 4.04 0.00 2.30 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 2.45 2.44 0.00 44 L 8.08 4.00 0.00 1.91 1.82 0.97 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 45 A 7.88 3.97 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.09 3.89 0.00 2.21 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 0.00 2.34 2.70 0.00 47 A 7.76 4.02 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 48 I 7.90 3.64 1.98 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 1.45 0.77 0.89 0.00 0.00 49 A 8.43 4.12 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 50 A 8.69 4.29 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 51 K 7.82 4.12 0.00 2.02 1.89 0.00 1.80 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.49 1.48 7.81 52 G 7.69 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 0.00 0.00 0.00 53 E 7.33 4.50 0.00 2.24 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 2.34 2.26 0.00 54 G 7.41 4.35 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 0.00 55 F 9.12 4.04 0.00 2.95 2.86 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 56 W 8.30 4.18 0.00 3.53 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 57 T 7.98 4.19 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 1.43 0.00 0.00 58 T 7.21 3.88 4.21 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 1.25 0.00 0.00 59 Q 7.39 3.80 0.00 0.93 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.38 0.00 0.00 0.00 0.00 0.00 1.77 1.33 0.00 60 F 7.29 4.91 0.00 3.14 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 61 P 0.00 4.39 0.00 2.20 2.12 0.00 3.71 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.18 0.00 62 Q 8.15 4.12 0.00 2.14 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.91 0.00 0.00 0.00 0.00 0.00 2.49 2.50 0.00 63 I 7.96 3.88 2.37 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 1.42 0.57 1.06 0.00 0.00 64 G 8.21 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 0.00 0.00 0.00 65 D 8.56 4.36 0.00 2.87 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 66 W 8.56 4.10 0.00 3.55 3.39 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 67 N 8.73 4.31 0.00 3.21 3.10 0.00 0.00 7.30 7.79 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 68 E 8.03 3.90 0.00 2.17 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 2.33 2.37 0.00 69 D 8.14 4.33 0.00 2.65 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 Q 7.73 3.62 0.00 1.73 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.77 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 71 A 7.80 3.86 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 72 A 8.43 3.91 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 73 A 7.98 3.88 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 74 L 8.45 3.90 0.00 1.80 1.62 0.89 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 75 A 8.49 4.01 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 76 D 8.10 4.29 0.00 2.93 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 77 R 8.00 3.90 0.00 2.06 1.95 0.00 3.09 0.00 0.00 3.14 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 78 A 7.88 3.98 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 79 Q 8.29 3.87 0.00 2.11 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.74 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 80 T 7.74 3.86 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 1.22 0.00 0.00 81 C 7.68 4.46 0.00 3.13 3.11 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 82 G 7.92 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 83 L 8.07 4.16 0.00 1.77 1.72 1.01 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 84 V 7.20 4.64 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 0.70 0.00 0.00 0.92 0.00 0.00 85 K 8.67 4.28 0.00 1.00 1.55 0.00 1.42 0.00 0.00 1.45 0.00 0.00 2.38 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.30 1.13 7.81 86 A 8.33 5.45 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 87 D 8.69 4.44 0.00 2.69 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.14 3.69 4.23 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 1.23 0.00 0.00