NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4723 8.2893 120.3321 54.9953 32.0471 175.5145 2 P 4.3238 0.0000 0.0000 64.8572 31.9161 176.6503 3 L 4.1761 7.9441 119.1682 56.6848 42.1278 180.7307 4 V 3.9110 7.9139 117.4402 65.2741 31.1205 177.3961 5 D 4.4790 8.0507 118.0410 57.3985 41.3056 177.6395 6 F 4.7854 8.2002 121.3645 59.7175 39.2745 177.2367 7 F 3.8684 8.2013 117.1843 60.9092 38.9137 176.9042 8 C 4.3179 7.8264 115.5319 61.9437 31.3991 174.5779 9 E 4.2206 7.5410 120.1591 58.2502 29.6241 176.9809 10 T 4.8666 6.9842 115.5153 60.3986 69.9150 172.6239 11 C 4.7768 8.4898 126.3554 60.2519 32.1893 175.9296 12 S 4.3719 9.4883 117.6466 59.4028 63.2714 174.7077 13 K 3.9495 7.3047 119.4838 55.4687 32.2193 175.5950 14 P 3.9831 0.0000 0.0000 64.3215 31.7907 176.8224 15 W 4.4527 5.7164 116.3797 57.9896 29.2103 178.4030 16 L 2.8249 6.8997 118.9630 56.3911 41.1936 179.2651 17 V 2.9278 6.3895 117.7411 63.5759 31.3356 178.5958 18 G 3.3494 7.2159 110.8604 48.4222 0.0000 175.1513 19 W 5.0531 6.6701 115.5490 56.0664 28.4412 177.6161 20 W 5.0685 7.7526 121.6115 59.5652 28.7065 177.6963 21 D 4.5455 7.8498 118.3081 57.8473 40.3774 178.9197 22 Q 4.1351 8.2767 115.7262 59.1296 29.1266 177.5560 23 F 4.2651 8.7370 122.4410 59.9134 39.1530 176.5334 24 K 3.9067 7.7867 117.7427 59.7443 32.0766 176.7135 25 R 4.0524 7.3963 122.7485 56.1584 30.2221 175.8038 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 8.29 4.47 0.00 2.07 2.17 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.56 0.00 2 P 0.00 4.32 0.00 2.37 2.23 0.00 3.74 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.14 0.00 3 L 7.94 4.18 0.00 1.89 2.03 0.98 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 4 V 7.91 3.91 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 1.01 0.00 0.00 0.97 0.00 0.00 5 D 8.05 4.48 0.00 3.08 2.94 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 0.00 0.00 0.00 6 F 8.20 4.79 0.00 3.10 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 7 F 8.20 3.87 0.00 3.38 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 8 C 7.83 4.32 0.00 3.10 3.03 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 9 E 7.54 4.22 0.00 2.06 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 2.11 2.28 0.00 10 T 6.98 4.87 4.04 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 0.84 0.00 0.00 11 C 8.49 4.78 0.00 3.23 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 S 9.49 4.37 0.00 3.95 4.10 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 13 K 7.30 3.95 0.00 1.67 1.87 0.00 1.56 0.00 0.00 1.63 0.00 0.00 2.84 0.00 0.00 2.72 0.00 0.00 0.00 0.00 0.77 1.42 7.81 14 P 0.00 3.98 0.00 1.69 1.73 0.00 2.20 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.12 0.00 15 W 5.72 4.45 0.00 3.42 3.41 0.00 0.00 0.00 0.00 0.00 0.00 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 L 6.90 2.82 0.00 0.27 0.14 1.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 17 V 6.39 2.93 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.00 0.00 1.01 0.00 0.00 18 G 7.22 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 6.67 5.05 0.00 3.47 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 20 W 7.75 5.07 0.00 3.34 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 D 7.85 4.55 0.00 2.88 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 Q 8.28 4.14 0.00 2.35 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.91 0.00 0.00 0.00 0.00 0.00 2.78 2.66 0.00 23 F 8.74 4.27 0.00 3.43 3.47 0.00 0.00 0.00 0.00 0.00 0.00 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 7.79 3.91 0.00 1.95 2.05 0.00 1.52 0.00 0.00 1.69 0.00 0.00 3.13 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.62 1.69 7.81 25 R 7.40 4.05 0.00 1.74 1.78 0.00 3.17 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.49 0.00