NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.3379 8.1933 115.4080 56.8552 64.3892 172.7987 2 P 2.0000 0.0000 0.0000 63.2766 31.2245 175.4905 3 G 3.5925 6.5988 111.4644 45.2498 0.0000 174.0167 4 S 4.4885 7.4437 115.1802 57.4905 65.1921 175.0226 5 R 4.0789 8.6277 122.0588 59.9709 29.7920 178.2405 6 E 3.9861 8.2512 118.4335 58.7945 29.6397 178.2842 7 W 3.9984 8.1035 128.2571 60.4846 30.7726 177.7706 8 F 4.2771 8.5213 117.7807 60.5815 38.4861 177.4640 9 K 3.9195 8.4075 119.1058 59.7784 31.7753 178.3605 10 D 4.3990 8.2173 117.9136 57.8369 40.8348 178.6392 11 M 3.9201 7.8401 117.9916 57.4809 31.9453 177.8977 12 L 4.4278 7.7018 117.1748 55.1994 42.2820 176.8203 13 S 4.1400 7.5398 117.6106 58.5720 63.0666 173.7667 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 8.19 4.34 0.00 3.87 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 P 0.00 2.00 0.00 1.51 0.87 0.00 3.39 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.77 0.00 3 G 6.60 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 S 7.44 4.49 0.00 4.13 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 5 R 8.63 4.08 0.00 1.99 2.06 0.00 3.23 0.00 0.00 3.30 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.79 0.00 6 E 8.25 3.99 0.00 2.13 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 2.42 2.40 0.00 7 W 8.10 4.00 0.00 3.34 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 8 F 8.52 4.28 0.00 3.41 3.10 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 0.00 9 K 8.41 3.92 0.00 1.97 2.02 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.51 7.81 10 D 8.22 4.40 0.00 2.59 2.56 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 0.00 0.00 0.00 0.00 11 M 7.84 3.92 0.00 1.49 1.60 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.50 0.00 12 L 7.70 4.43 0.00 1.69 1.71 1.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 13 S 7.54 4.14 0.00 3.96 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