NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4155 8.1627 120.3489 55.6015 34.4972 177.3088 2 K 3.7453 8.0061 118.9627 58.5279 32.2134 173.3018 3 V 3.5439 8.5788 119.2990 66.1943 31.9130 177.3991 4 K 3.9477 8.0716 117.4880 59.6647 31.8608 179.1923 5 Q 4.0152 8.2558 118.2101 58.9381 28.5560 178.7693 6 L 3.9853 8.4412 120.4277 57.7188 41.5598 179.6769 7 V 3.5792 8.1809 118.5998 66.1723 31.4723 177.8363 8 D 4.3341 8.2055 118.5811 57.1423 40.6585 178.6189 9 K 3.9094 8.2181 120.2138 59.4615 32.1134 178.8175 10 V 3.5896 8.0296 118.7087 66.2875 31.4273 177.8497 11 E 3.9939 8.4598 118.3116 59.3928 29.2837 179.2251 12 E 4.0012 8.3004 118.6471 59.5232 29.5458 179.4698 13 L 4.0639 8.0808 118.9401 57.6455 41.5327 179.5801 14 L 3.9540 8.2093 119.4772 57.7760 41.5123 179.5921 15 S 4.3263 8.3092 115.2330 61.5492 62.7265 176.7493 16 K 4.0199 7.9301 121.8552 59.3856 31.8828 178.5585 17 N 4.2671 8.4755 117.2404 56.7013 38.5015 176.9201 18 Y 4.2231 8.1770 118.2315 61.3643 37.9432 178.2445 19 H 4.2231 8.4243 119.1569 59.3424 29.9109 177.4089 20 L 3.9427 8.1901 120.8948 57.6378 41.4866 179.4433 21 V 3.5660 8.1536 118.6851 66.1615 31.4046 177.6500 22 N 4.3594 8.3756 116.6788 56.5793 38.7113 176.7240 23 E 3.9128 8.2533 120.1397 59.3251 29.4921 179.4208 24 V 3.5402 8.0936 118.3053 65.9982 31.1900 177.9117 25 A 3.9688 8.0730 120.4530 55.0252 17.9698 179.6116 26 R 3.8399 7.8760 116.1741 59.7491 30.5476 178.5579 27 L 4.1680 8.1443 119.1710 57.6061 41.4753 179.8693 28 V 3.7009 8.1027 119.3984 64.5965 31.1406 178.5699 29 K 4.0333 7.6187 117.6472 58.7828 31.8755 178.6445 30 L 4.2282 7.6203 118.4576 56.7328 41.7446 177.2149 31 V 3.8185 7.4083 116.6144 61.5508 31.5100 175.8126 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 M 8.16 4.42 0.00 2.07 2.12 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.54 0.00 2 K 8.01 3.75 0.00 1.99 1.78 0.00 1.67 0.00 0.00 1.78 0.00 0.00 3.04 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.51 1.61 7.81 3 V 8.58 3.54 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 1.09 0.00 0.00 0.93 0.00 0.00 4 K 8.07 3.95 0.00 1.96 1.85 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.53 1.54 7.81 5 Q 8.26 4.02 0.00 2.29 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.61 0.00 6 L 8.44 3.99 0.00 1.77 1.71 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 7 V 8.18 3.58 2.22 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 1.12 0.00 0.00 0.99 0.00 0.00 8 D 8.21 4.33 0.00 2.93 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 9 K 8.22 3.91 0.00 1.87 1.98 0.00 1.53 0.00 0.00 1.57 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.49 7.81 10 V 8.03 3.59 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.93 0.00 0.00 11 E 8.46 3.99 0.00 2.18 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.54 0.00 12 E 8.30 4.00 0.00 2.28 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.52 0.00 13 L 8.08 4.06 0.00 1.84 1.70 0.91 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 14 L 8.21 3.95 0.00 1.90 1.71 0.94 0.90 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 15 S 8.31 4.33 0.00 4.11 3.97 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 16 K 7.93 4.02 0.00 1.85 1.97 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.51 7.81 17 N 8.48 4.27 0.00 2.64 2.66 0.00 0.00 7.04 7.28 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 18 Y 8.18 4.22 0.00 3.19 2.92 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 0.00 0.00 0.00 19 H 8.42 4.22 0.00 3.25 3.53 0.00 5.58 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 L 8.19 3.94 0.00 1.86 1.69 0.94 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 21 V 8.15 3.57 2.27 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 1.03 0.00 0.00 0.93 0.00 0.00 22 N 8.38 4.36 0.00 2.84 2.97 0.00 0.00 7.24 7.22 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 23 E 8.25 3.91 0.00 2.13 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.31 0.00 24 V 8.09 3.54 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.96 0.00 0.00 25 A 8.07 3.97 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.88 3.84 0.00 1.90 2.14 0.00 3.27 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 27 L 8.14 4.17 0.00 1.78 1.69 0.95 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 28 V 8.10 3.70 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 0.99 0.00 0.00 0.93 0.00 0.00 29 K 7.62 4.03 0.00 1.94 1.92 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.48 1.63 7.81 30 L 7.62 4.23 0.00 1.79 1.72 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 31 V 7.41 3.82 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 0.70 0.00 0.00 0.96 0.00 0.00