NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 T 4.4159 8.1593 110.9392 61.7275 69.7849 173.5757 11 K 4.6532 8.4941 120.8482 57.0828 34.1933 175.2028 12 N 4.8429 7.6861 120.9208 52.6258 40.0586 178.1814 13 G 4.0160 8.8268 111.1046 47.6595 0.0000 171.8865 14 R 4.6020 7.0897 115.4655 54.5066 33.8233 172.8246 15 D 4.3928 7.7772 120.3761 54.1586 43.7728 174.9752 16 S 4.8305 8.3928 116.3140 55.7223 65.2013 174.1505 17 Q 4.0688 8.5277 120.9896 55.7026 28.9998 176.0388 18 A 4.0460 8.4554 122.8540 52.9307 18.7793 177.7297 19 K 4.3207 8.6321 119.9961 55.4411 33.1874 176.4651 20 R 3.7839 7.8213 117.0976 57.2789 27.4922 175.4487 21 L 4.6743 8.9524 115.3723 53.3109 43.4222 176.3090 22 G 3.9975 7.4829 107.2047 44.1828 0.0000 171.7840 23 V 3.7493 7.7004 120.0507 62.8088 31.4713 175.7902 24 K 3.9939 8.7658 128.3848 58.1359 32.4605 177.7336 25 R 4.5544 7.5424 115.7309 54.4932 32.5079 175.0351 26 Y 5.2558 8.1226 118.4338 55.7971 40.4472 174.6562 27 E 4.0790 9.2548 122.1395 58.4213 29.9330 176.8985 28 G 3.8712 9.2461 116.7898 46.7038 0.0000 172.9017 29 Q 4.7325 7.5924 115.9971 53.3276 32.2669 176.8821 30 V 4.1548 8.4500 123.1614 63.6768 32.6341 175.3293 31 V 4.5638 8.1181 116.7819 60.3503 36.4953 174.4126 32 R 4.6779 8.6443 122.8904 54.7620 31.7326 176.0434 33 A 4.0803 8.3908 122.5382 53.6315 18.8728 178.7142 34 G 4.1474 8.6577 109.5605 45.5935 0.0000 174.1800 35 N 4.2745 7.6475 116.9898 53.9968 39.5608 174.6859 36 I 4.2757 8.4798 124.7737 61.8941 37.4277 175.6868 37 L 4.4457 9.8589 127.7849 56.5267 43.6186 176.9669 38 V 4.8176 7.4686 116.3061 61.7553 35.2960 172.5566 39 R 5.1284 8.7939 126.6339 54.4790 31.1661 174.9950 40 Q 4.8790 8.4161 119.8883 55.0026 31.5533 175.8940 41 R 4.3821 8.9434 119.6925 59.2043 31.5081 176.9520 42 G 3.6790 6.9729 109.0249 45.7917 0.0000 175.8444 43 T 4.4189 7.6740 111.0914 59.5534 67.9928 175.3985 44 R 3.9758 7.8934 120.4245 59.3491 30.5482 176.8397 45 F 4.9073 8.9931 115.5234 55.4406 43.7265 174.0134 46 K 4.5305 8.7735 118.1190 53.9434 36.4679 178.4006 47 P 4.5735 0.0000 0.0000 60.7874 31.9737 178.6995 48 G 4.1357 9.6443 113.3379 45.3345 0.0000 176.4949 49 K 4.2082 9.5022 128.6553 55.9054 31.8864 176.1568 50 N 4.2837 8.8591 122.9572 53.9138 35.7028 174.6852 51 V 4.3965 7.6276 118.0137 61.6132 34.1004 174.5830 52 G 3.6848 7.6859 116.2663 45.4439 0.0000 170.6703 53 M 6.2300 7.7650 117.7714 54.1331 35.2565 173.4303 54 G 4.3195 8.5162 109.4507 44.6525 0.0000 174.0904 55 R 3.9773 8.5365 118.5044 59.2372 29.9905 177.8266 56 D 4.1755 7.7602 113.8718 54.0675 39.9915 176.7759 57 F 4.5286 9.1597 118.8944 57.5866 37.4583 174.4282 58 T 4.3423 9.4453 120.0274 63.8363 69.1401 173.3760 59 L 5.4161 9.0999 126.8502 53.4127 44.4680 175.5619 60 F 5.2338 8.6075 116.2094 55.1458 41.6808 173.3638 61 A 4.2431 8.6864 123.3576 52.9045 19.1320 177.8150 62 L 4.7834 8.2964 117.6891 54.3878 43.6316 177.2836 63 V 4.2964 7.5519 109.2015 59.9638 35.2717 172.4221 64 D 5.3074 8.2853 122.5656 53.0471 39.5441 176.3678 65 G 4.1956 8.0176 106.8664 43.8524 0.0000 171.9115 66 V 4.5118 7.4518 119.1341 61.4793 33.2034 175.0982 67 V 4.7779 8.1957 125.1214 61.7770 33.5216 174.3406 68 E 5.1065 9.3361 123.7918 54.8287 33.5980 173.7531 69 F 5.2900 9.9363 120.3722 55.9442 41.0904 174.7669 70 Q 4.7215 9.3524 125.7916 54.4073 31.1669 173.4952 71 D 5.1139 8.7658 125.8844 52.5853 43.1250 176.1663 72 R 4.7194 8.3355 123.6730 56.6350 32.8799 177.3425 73 G 3.8585 8.1445 110.2761 47.3872 0.0000 178.1076 74 R 4.0016 8.1690 122.0206 58.9198 30.1038 177.3399 75 L 4.0648 7.9479 116.3290 55.8835 41.7425 177.4833 76 G 3.8206 9.3234 105.6741 44.4483 0.0000 171.8445 77 R 4.8723 7.9045 116.7277 55.2843 31.7211 175.8533 78 Y 5.1682 9.1727 120.5827 56.1951 41.8950 174.7236 79 V 4.7318 8.4613 120.1458 61.6632 34.5298 174.3309 80 H 5.1005 9.1426 123.4579 54.1190 33.7288 172.1708 81 V 4.5656 8.2803 120.6559 61.7292 32.1690 176.0312 82 R 4.4387 9.0963 126.6881 54.0140 29.5689 174.5725 83 P 4.4785 0.0000 0.0000 62.8248 32.0772 175.9800 84 L 4.3844 7.7353 116.4351 55.7950 41.9799 173.9895 85 A 4.0927 8.5193 122.6952 53.1572 18.9005 176.2194 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 10 T 8.16 4.42 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 11 K 8.49 4.65 0.00 1.90 1.85 0.00 1.51 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.29 1.52 7.81 12 N 7.69 4.84 0.00 2.64 2.09 0.00 0.00 7.04 7.62 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 13 G 8.83 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 14 R 7.09 4.60 0.00 1.87 1.75 0.00 3.29 0.00 0.00 3.15 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.58 0.00 15 D 7.78 4.39 0.00 2.62 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 0.00 0.00 0.00 0.00 16 S 8.39 4.83 0.00 3.98 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 Q 8.53 4.07 0.00 2.18 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.94 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 18 A 8.46 4.05 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 19 K 8.63 4.32 0.00 1.75 1.85 0.00 1.92 0.00 0.00 1.77 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.37 1.38 7.81 20 R 7.82 3.78 0.00 1.92 1.96 0.00 3.16 0.00 0.00 3.27 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 21 L 8.95 4.67 0.00 1.93 1.64 0.94 0.48 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 22 G 7.48 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 0.00 0.00 0.00 23 V 7.70 3.75 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 0.94 0.00 0.00 0.75 0.00 0.00 24 K 8.77 3.99 0.00 1.91 1.75 0.00 1.65 0.00 0.00 1.69 0.00 0.00 2.93 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.49 1.50 7.81 25 R 7.54 4.55 0.00 1.74 1.81 0.00 3.55 0.00 0.00 3.13 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.53 0.00 26 Y 8.12 5.26 0.00 3.14 2.87 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 27 E 9.25 4.08 0.00 2.54 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 2.42 2.62 0.00 28 G 9.25 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 0.00 0.00 0.00 29 Q 7.59 4.73 0.00 2.25 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.88 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 30 V 8.45 4.15 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 0.78 0.00 0.00 0.94 0.00 0.00 31 V 8.12 4.56 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 0.73 0.00 0.00 0.93 0.00 0.00 32 R 8.64 4.68 0.00 1.70 1.89 0.00 3.22 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 33 A 8.39 4.08 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 34 G 8.66 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 0.00 0.00 0.00 35 N 7.65 4.27 0.00 2.71 2.82 0.00 0.00 6.84 7.26 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 36 I 8.48 4.28 1.87 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 1.33 0.71 0.97 0.00 0.00 37 L 9.86 4.45 0.00 1.57 1.66 0.88 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 38 V 7.47 4.82 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 0.80 0.00 0.00 0.65 0.00 0.00 39 R 8.79 5.13 0.00 1.77 1.80 0.00 3.17 0.00 0.00 3.22 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.53 0.00 40 Q 8.42 4.88 0.00 2.14 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.91 0.00 0.00 0.00 0.00 0.00 2.47 2.64 0.00 41 R 8.94 4.38 0.00 1.87 2.10 0.00 3.28 0.00 0.00 3.26 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.68 0.00 42 G 6.97 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 43 T 7.67 4.42 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 0.84 0.00 0.00 44 R 7.89 3.98 0.00 2.17 2.19 0.00 3.19 0.00 0.00 3.30 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 45 F 8.99 4.91 0.00 2.92 2.98 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 46 K 8.77 4.53 0.00 0.79 1.08 0.00 0.97 0.00 0.00 1.36 0.00 0.00 2.65 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.01 0.96 7.81 47 P 0.00 4.57 0.00 1.98 1.48 0.00 3.63 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.11 0.00 48 G 9.64 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 49 K 9.50 4.21 0.00 1.81 1.74 0.00 1.44 0.00 0.00 1.68 0.00 0.00 2.89 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.43 1.38 7.81 50 N 8.86 4.28 0.00 3.02 2.88 0.00 0.00 6.44 7.68 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 51 V 7.63 4.40 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 0.70 0.00 0.00 0.96 0.00 0.00 52 G 7.69 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 53 M 7.76 6.23 0.00 2.05 2.06 0.00 0.00 0.00 0.00 0.00 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.53 0.00 54 G 8.52 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 0.00 0.00 0.00 0.00 55 R 8.54 3.98 0.00 1.74 1.90 0.00 3.16 0.00 0.00 3.24 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 56 D 7.76 4.18 0.00 2.72 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 57 F 9.16 4.53 0.00 3.35 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 58 T 9.45 4.34 4.33 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 0.00 0.00 0.00 1.28 0.00 0.00 59 L 9.10 5.42 0.00 1.59 1.56 0.99 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 60 F 8.61 5.23 0.00 3.46 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 61 A 8.69 4.24 1.33 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 0.00 0.00 0.00 0.00 0.00 0.00 62 L 8.30 4.78 0.00 1.57 1.62 0.76 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 63 V 7.55 4.30 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 0.64 0.00 0.00 0.92 0.00 0.00 64 D 8.29 5.31 0.00 2.76 2.78 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 0.00 0.00 0.00 65 G 8.02 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 66 V 7.45 4.51 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 1.24 0.00 0.00 0.94 0.00 0.00 67 V 8.20 4.78 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 0.70 0.00 0.00 0.87 0.00 0.00 68 E 9.34 5.11 0.00 2.24 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 2.18 2.32 0.00 69 F 9.94 5.29 0.00 3.03 3.15 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 70 Q 9.35 4.72 0.00 2.24 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 71 D 8.77 5.11 0.00 2.72 2.55 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 0.00 0.00 0.00 0.00 72 R 8.34 4.72 0.00 2.25 1.86 0.00 3.40 0.00 0.00 3.38 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.71 0.00 73 G 8.14 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 0.00 0.00 0.00 74 R 8.17 4.00 0.00 1.85 1.94 0.00 3.37 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 75 L 7.95 4.06 0.00 1.82 1.92 0.90 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 76 G 9.32 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 77 R 7.90 4.87 0.00 1.20 1.72 0.00 2.81 0.00 0.00 2.73 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.44 0.00 78 Y 9.17 5.17 0.00 2.88 2.88 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 79 V 8.46 4.73 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 0.14 0.00 0.00 1.36 0.00 0.00 80 H 9.14 5.10 0.00 2.97 3.27 0.00 5.65 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 81 V 8.28 4.57 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 0.90 0.00 0.00 0.94 0.00 0.00 82 R 9.10 4.44 0.00 1.86 2.07 0.00 2.83 0.00 0.00 3.40 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.56 0.00 83 P 0.00 4.48 0.00 2.19 2.09 0.00 3.81 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 84 L 7.74 4.38 0.00 1.72 1.63 0.92 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 85 A 8.52 4.09 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