NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 C 4.7685 7.8774 117.5304 55.7265 42.2065 172.9891 2 G 3.7080 8.1934 107.4245 45.1159 0.0000 169.9370 3 E 4.9275 7.6730 118.7026 54.4967 34.6047 171.9602 4 S 5.1097 8.4890 118.1132 56.1998 66.0292 172.5256 5 C 4.9682 8.9682 118.8056 54.7960 41.3275 175.2148 6 A 3.9600 8.3080 124.7389 56.4755 18.3419 179.3656 7 M 4.2181 7.9830 114.4667 57.1542 32.9222 175.6020 8 I 4.5744 7.3125 111.4582 58.8980 40.3474 176.0796 9 S 4.3808 8.5195 119.2878 57.3605 61.6376 174.6306 10 F 5.0864 7.7860 121.8025 57.5159 42.2238 173.5704 11 C 4.6392 9.6466 126.7911 55.5060 40.1548 174.8962 12 F 4.0170 8.9294 124.9003 61.4571 39.1235 177.0449 13 T 3.8147 8.4787 111.0805 62.9116 67.2253 175.7471 14 E 4.4478 7.6069 122.4029 59.6037 29.4514 178.5579 15 V 3.6753 7.0489 117.2246 65.6344 31.6179 177.3064 16 I 4.1050 7.8463 110.3343 61.1734 38.0495 176.6962 17 G 4.5846 7.1234 120.0422 47.1454 0.0000 172.3174 18 C 4.7748 7.4298 117.8982 57.1076 42.7559 173.0533 19 S 5.1890 9.0782 114.0440 56.9358 66.2480 172.7448 20 C 4.7182 9.7476 124.3767 56.5566 42.5885 173.0187 21 K 4.4406 9.2613 127.2873 56.2854 35.0716 175.5284 22 N 4.1356 9.8199 125.1387 53.8105 36.2672 175.0491 23 K 4.0988 8.1247 117.8032 57.0599 32.5526 174.8019 24 V 4.6964 7.6370 118.4884 60.2659 34.1142 174.3628 25 C 5.0773 9.1531 122.3549 56.9251 39.5304 172.6612 26 Y 5.1338 9.1926 121.4380 56.0684 42.3122 174.9805 27 L 4.6783 8.6486 123.0859 53.1918 44.9122 175.9254 28 N 4.1662 9.5044 127.3563 54.9550 37.0938 174.8674 29 S 4.2379 8.3904 109.4394 58.8973 61.1820 170.9069 30 I 4.0356 7.3986 122.6483 59.6344 38.2381 176.2298 31 S 3.1519 7.8604 119.3954 58.5790 62.6230 174.1121 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 C 7.88 4.77 0.00 3.12 3.17 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 G 8.19 3.71 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 0.00 0.00 0.00 3 E 7.67 4.93 0.00 2.03 1.75 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 2.29 2.33 0.00 4 S 8.49 5.11 0.00 3.98 3.79 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 C 8.97 4.97 0.00 3.18 3.21 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 0.00 0.00 0.00 0.00 6 A 8.31 3.96 1.31 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 7 M 7.98 4.22 0.00 2.01 2.09 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.54 0.00 8 I 7.31 4.57 1.98 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.03 0.96 0.00 0.00 9 S 8.52 4.38 0.00 3.89 3.93 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 10 F 7.79 5.09 0.00 2.89 2.95 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 C 9.65 4.64 0.00 2.93 3.24 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 F 8.93 4.02 0.00 2.94 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 13 T 8.48 3.81 4.18 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 1.26 0.00 0.00 14 E 7.61 4.45 0.00 2.05 1.91 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 2.41 0.00 15 V 7.05 3.68 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 0.88 0.00 0.00 1.03 0.00 0.00 16 I 7.85 4.11 1.79 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.63 0.74 0.00 0.00 17 G 7.12 4.58 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 18 C 7.43 4.77 0.00 2.94 3.05 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 S 9.08 5.19 0.00 3.85 3.93 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 20 C 9.75 4.72 0.00 3.13 3.09 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 K 9.26 4.44 0.00 1.76 1.50 0.00 1.81 0.00 0.00 1.58 0.00 0.00 2.86 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.25 1.34 7.81 22 N 9.82 4.14 0.00 2.90 2.83 0.00 0.00 6.19 6.91 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 K 8.12 4.10 0.00 1.99 1.98 0.00 1.66 0.00 0.00 1.86 0.00 0.00 3.09 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.37 1.49 7.81 24 V 7.64 4.70 2.03 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 0.21 0.00 0.00 1.12 0.00 0.00 25 C 9.15 5.08 0.00 2.98 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 26 Y 9.19 5.13 0.00 2.82 2.80 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 27 L 8.65 4.68 0.00 1.65 1.44 0.95 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 28 N 9.50 4.17 0.00 2.85 2.82 0.00 0.00 7.30 7.63 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 29 S 8.39 4.24 0.00 4.12 4.11 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 30 I 7.40 4.04 1.90 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.80 0.77 0.00 0.00 31 S 7.86 3.15 0.00 3.69 3.62 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