NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4200 8.3193 116.7934 58.1246 64.3701 174.3375 2 P 4.1539 0.0000 0.0000 61.6452 31.7510 173.9678 3 L 4.1191 8.7915 116.4040 54.6869 46.5983 175.8352 4 L 3.6941 8.7198 126.6583 55.2586 39.3543 172.4924 5 P 4.6215 0.0000 0.0000 62.6894 33.2500 177.3183 6 K 4.2880 8.6719 124.2261 56.3984 32.3907 177.6394 7 L 3.5713 7.2193 115.5196 54.9419 38.6585 172.2994 8 P 4.5436 0.0000 0.0000 60.8727 33.1422 175.0319 9 P 4.3391 0.0000 0.0000 61.7225 31.3919 176.2181 10 K 4.0135 8.3219 124.5061 57.2554 32.3828 174.8850 11 T 4.5669 7.4470 116.9193 63.9414 76.2911 174.3251 12 Y 4.8738 6.3192 117.4330 55.7619 41.6005 172.8250 13 K 4.8935 8.4663 118.6574 55.4084 34.8735 175.5614 14 R 4.1669 8.7568 116.9252 58.4534 30.9002 176.3927 15 E 4.1246 8.1523 119.9416 56.8907 29.5615 174.2350 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 8.32 4.42 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 4.15 0.00 2.26 2.00 0.00 3.80 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.01 0.00 3 L 8.79 4.12 0.00 1.56 1.52 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 4 L 8.72 3.69 0.00 1.77 1.69 0.92 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 5 P 0.00 4.62 0.00 2.21 2.17 0.00 3.68 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.02 0.00 6 K 8.67 4.29 0.00 1.73 1.82 0.00 1.93 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.45 7.81 7 L 7.22 3.57 0.00 1.87 1.68 0.91 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 8 P 0.00 4.54 0.00 2.14 2.02 0.00 3.74 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.93 0.00 9 P 0.00 4.34 0.00 2.15 2.09 0.00 3.74 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.91 0.00 10 K 8.32 4.01 0.00 1.69 1.71 0.00 1.76 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.35 1.41 7.81 11 T 7.45 4.57 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 0.99 0.00 0.00 12 Y 6.32 4.87 0.00 2.95 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 13 K 8.47 4.89 0.00 1.79 1.84 0.00 1.77 0.00 0.00 1.73 0.00 0.00 2.82 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.40 1.41 7.81 14 R 8.76 4.17 0.00 1.81 1.98 0.00 3.38 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 1.61 1.68 0.00 15 E 8.15 4.12 0.00 2.10 1.92 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 2.22 2.30 0.00