NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 L 4.1499 8.1844 122.4976 54.8177 43.8286 176.6242 3 Y 4.1382 7.8196 122.5154 53.7650 38.6645 171.5053 4 E 4.0232 8.5045 127.0609 55.5897 30.9198 175.6569 5 N 4.5485 8.5517 124.0935 51.4435 38.3909 174.0060 6 K 4.2138 8.2880 126.0328 55.1832 33.2177 175.3822 7 P 4.4655 0.0000 0.0000 62.2614 32.1831 175.9222 8 R 4.4590 8.1970 118.6296 54.4936 32.9508 175.0532 9 R 4.2156 8.4820 122.9478 54.4303 30.8786 174.8409 10 P 4.3553 0.0000 0.0000 65.3941 31.7706 176.4588 11 Y 4.3741 7.6696 116.7497 55.6706 38.8850 174.6904 12 I 4.1761 8.3435 125.3077 59.6845 37.7069 175.3449 13 L 4.3151 8.4275 126.3679 55.0126 41.9747 176.0914 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 2 L 8.18 4.15 0.00 1.64 1.82 0.95 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 3 Y 7.82 4.14 0.00 3.04 2.85 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 4 E 8.50 4.02 0.00 2.04 1.90 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 2.11 2.12 0.00 5 N 8.55 4.55 0.00 2.86 2.86 0.00 0.00 7.52 6.78 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 6 K 8.29 4.21 0.00 1.87 1.78 0.00 1.58 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.35 1.39 7.81 7 P 0.00 4.47 0.00 2.18 2.08 0.00 3.69 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.97 0.00 8 R 8.20 4.46 0.00 1.75 1.82 0.00 3.19 0.00 0.00 3.21 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.60 0.00 9 R 8.48 4.22 0.00 1.63 1.55 0.00 3.12 0.00 0.00 3.15 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.40 0.00 10 P 0.00 4.36 0.00 2.24 2.20 0.00 3.65 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.00 0.00 11 Y 7.67 4.37 0.00 3.07 2.97 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 0.00 0.00 0.00 12 I 8.34 4.18 1.89 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.61 0.91 0.00 0.00 13 L 8.43 4.32 0.00 1.81 1.66 0.96 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00