NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 L 4.4403 8.1844 120.5848 54.4920 43.1073 176.1725 2 F 3.8812 8.8344 126.7986 56.5527 40.8989 170.8646 3 E 4.3341 8.7246 124.2627 56.3116 30.7897 176.2588 4 C 4.6097 8.4929 126.3436 56.4046 44.3514 173.4915 5 S 4.3383 8.8158 122.8756 60.2550 63.3115 174.6779 6 F 4.5231 8.2135 119.3353 57.7584 39.1583 175.1690 7 S 4.5126 7.8118 115.0711 57.8250 66.0799 173.8546 8 C 4.7181 8.7894 125.1203 57.5173 45.3874 174.6167 9 E 4.0223 8.3307 119.3132 58.5904 29.5007 176.3094 10 I 4.5072 7.3590 116.7104 59.7295 39.7391 174.6528 11 E 4.5129 8.3001 119.2480 56.7075 29.7550 176.9752 12 K 4.6379 7.7825 117.6254 54.7348 35.0978 176.2764 13 E 4.2636 8.8037 125.2277 57.1401 30.1052 177.7453 14 G 4.6024 7.5895 115.1844 46.4101 0.0000 172.4786 15 D 4.6599 7.2383 119.3988 54.3573 42.7051 176.1187 16 K 4.7404 7.4867 116.0968 53.8050 35.8068 173.3593 17 P 4.8772 0.0000 0.0000 63.4032 32.4032 173.7116 18 C 4.9086 8.5199 114.5116 54.9173 39.6617 172.8449 19 K 4.8911 8.4145 118.3282 53.8839 34.4034 176.2004 20 K 4.2866 8.4186 122.5957 55.9918 32.7099 175.6862 21 K 4.3350 8.4365 127.1534 54.8470 33.4318 175.8338 22 K 4.2287 8.3521 125.6470 55.1529 31.8362 177.2057 23 C 4.4976 8.4119 124.4709 55.2443 39.1446 172.7414 24 K 4.2736 8.0691 120.5444 55.9346 32.1867 178.7576 25 G 3.6341 8.7312 109.6506 48.5342 0.0000 174.8110 26 G 4.1118 8.3111 107.4438 45.0430 0.0000 172.3743 27 W 4.7036 7.8979 118.5296 54.2870 32.2393 174.9270 28 K 4.6442 9.1165 124.4790 54.8449 34.1195 174.3084 29 C 4.7710 8.9347 125.1764 56.4221 40.8079 173.5442 30 K 4.5505 8.3959 127.0573 55.7619 32.1788 176.1446 31 F 4.2516 9.2578 113.6384 60.4133 39.0164 177.1906 32 N 5.0885 7.8328 115.8887 52.2900 40.2010 174.1987 33 M 4.3772 7.8801 116.2942 54.4664 35.3200 173.1975 34 C 5.2853 8.7238 126.6524 55.7241 40.3078 172.6416 35 V 4.7249 8.8446 125.3379 60.5035 35.0740 174.6822 36 K 3.2994 7.5258 124.8704 56.2839 32.5739 177.3705 37 V 3.7171 7.6033 122.5614 61.9378 31.5504 175.9420 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 L 8.18 4.44 0.00 1.53 1.73 0.93 0.55 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 2 F 8.83 3.88 0.00 3.30 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 3 E 8.72 4.33 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 2.29 2.38 0.00 4 C 8.49 4.61 0.00 3.24 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 5 S 8.82 4.34 0.00 3.99 3.98 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 6 F 8.21 4.52 0.00 2.98 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 7 S 7.81 4.51 0.00 3.93 3.95 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 0.00 0.00 0.00 8 C 8.79 4.72 0.00 2.91 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 9 E 8.33 4.02 0.00 2.10 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 2.13 2.31 0.00 10 I 7.36 4.51 1.87 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.56 0.93 0.00 0.00 11 E 8.30 4.51 0.00 2.03 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 0.00 2.29 2.32 0.00 12 K 7.78 4.64 0.00 1.70 1.72 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.35 1.40 7.81 13 E 8.80 4.26 0.00 2.10 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.35 0.00 14 G 7.59 4.60 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 0.00 0.00 0.00 15 D 7.24 4.66 0.00 2.69 2.66 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 16 K 7.49 4.74 0.00 1.93 1.84 0.00 1.54 0.00 0.00 1.86 0.00 0.00 2.91 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.41 7.81 17 P 0.00 4.88 0.00 2.12 2.11 0.00 3.79 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.98 0.00 18 C 8.52 4.91 0.00 3.22 3.14 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 19 K 8.41 4.89 0.00 1.83 1.81 0.00 1.73 0.00 0.00 1.63 0.00 0.00 2.76 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.35 7.81 20 K 8.42 4.29 0.00 1.71 1.70 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.56 1.42 7.81 21 K 8.44 4.34 0.00 1.84 1.70 0.00 2.03 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.34 1.42 7.81 22 K 8.35 4.23 0.00 1.76 1.74 0.00 1.82 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.35 7.81 23 C 8.41 4.50 0.00 2.96 3.09 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 24 K 8.07 4.27 0.00 1.40 1.85 0.00 1.76 0.00 0.00 1.79 0.00 0.00 2.80 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.29 1.07 7.81 25 G 8.73 3.63 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 0.00 0.00 0.00 26 G 8.31 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 27 W 7.90 4.70 0.00 3.27 3.22 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 0.00 28 K 9.12 4.64 0.00 1.80 1.73 0.00 1.54 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.34 1.46 7.81 29 C 8.93 4.77 0.00 2.94 3.04 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 0.00 0.00 0.00 30 K 8.40 4.55 0.00 1.85 1.68 0.00 1.79 0.00 0.00 1.69 0.00 0.00 2.87 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.45 1.45 7.81 31 F 9.26 4.25 0.00 2.94 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 32 N 7.83 5.09 0.00 2.65 2.87 0.00 0.00 6.66 7.71 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 33 M 7.88 4.38 0.00 1.90 1.70 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.07 0.00 34 C 8.72 5.29 0.00 3.08 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 35 V 8.84 4.72 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 0.86 0.00 0.00 0.95 0.00 0.00 36 K 7.53 3.30 0.00 1.01 1.21 0.00 1.48 0.00 0.00 1.40 0.00 0.00 2.64 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.30 0.21 7.81 37 V 7.60 3.72 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 0.59 0.00 0.00 0.90 0.00 0.00