NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5360 8.2893 120.3482 55.8080 32.6245 175.2156 2 S 4.3943 9.5177 121.0555 54.8439 66.0071 170.2778 3 V 3.6062 8.3155 121.6099 64.6896 31.4799 179.3112 4 K 3.8532 8.0160 119.8501 59.3737 32.1290 178.3113 5 E 3.9677 7.9316 118.4868 59.5902 29.4186 179.5034 6 L 4.0589 7.9118 118.6859 57.6777 41.6542 179.4251 7 E 4.0172 8.3828 118.9920 59.3495 29.2804 179.0441 8 D 4.3567 8.2955 119.1687 57.1121 40.8431 178.6911 9 K 3.9081 8.0224 120.1904 59.4675 32.2630 179.1121 10 V 3.5747 7.7686 118.5461 65.9549 31.5375 177.9392 11 E 3.9395 8.1544 118.4107 59.2022 29.2852 178.8893 12 E 3.9141 8.4229 119.6379 59.4067 29.6704 178.9801 13 L 4.0129 8.0571 119.0187 57.4611 41.6270 179.2706 14 L 3.6760 7.7848 120.4436 57.9228 41.9821 178.9749 15 S 4.1336 7.8732 112.8088 61.3641 62.3960 176.2794 16 K 4.0248 8.0232 121.1931 59.6352 31.7818 179.1014 17 N 4.3849 8.4495 117.0601 56.5139 38.4048 177.1312 18 Y 4.5352 7.9525 118.2762 61.3372 37.9421 177.8548 19 H 4.2603 8.4655 119.3011 59.3548 30.0053 177.3705 20 L 3.9611 8.1236 120.7719 57.7743 41.4117 179.3902 21 E 4.0399 8.2313 118.7321 59.4333 29.3943 179.1101 22 N 4.3971 8.2614 116.6230 56.1764 38.4590 177.4151 23 E 3.9411 8.1878 120.2559 59.3212 29.5394 179.4582 24 V 3.5638 7.9605 118.1309 65.8236 31.4022 178.0119 25 A 3.9683 7.9819 120.6166 55.0199 18.0115 179.5926 26 R 3.8266 7.8568 116.1542 59.6913 30.6378 178.5310 27 L 4.1471 8.2756 119.1194 57.6322 41.4370 179.5751 28 K 4.0936 8.3138 118.3377 58.7289 31.7353 178.8896 29 K 3.9566 7.5855 118.9359 58.2710 32.2312 177.9281 30 L 4.3339 7.4453 117.5620 56.5378 42.0171 178.6669 31 V 3.8778 7.7717 117.7091 65.2017 32.1851 176.1727 32 G 4.0660 7.4353 104.6437 45.3759 0.0000 172.3016 33 E 3.9308 9.0106 116.5569 57.3230 29.8530 177.0330 34 R 4.1856 7.9520 121.9936 56.5749 30.1413 175.7279 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 4.54 0.00 1.97 2.07 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.59 0.00 2 S 9.52 4.39 0.00 4.08 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 3 V 8.32 3.61 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 0.77 0.00 0.00 0.95 0.00 0.00 4 K 8.02 3.85 0.00 1.88 1.85 0.00 1.61 0.00 0.00 1.81 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.51 1.60 7.81 5 E 7.93 3.97 0.00 2.17 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 6 L 7.91 4.06 0.00 1.87 1.71 0.92 0.89 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 7 E 8.38 4.02 0.00 2.17 1.99 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 2.32 2.49 0.00 8 D 8.30 4.36 0.00 2.87 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 8.02 3.91 0.00 1.88 1.97 0.00 1.51 0.00 0.00 1.61 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.47 7.81 10 V 7.77 3.57 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.94 0.00 0.00 11 E 8.15 3.94 0.00 2.23 1.97 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 2.32 2.30 0.00 12 E 8.42 3.91 0.00 2.01 2.16 0.00 0.00 0.00 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 2.34 0.00 13 L 8.06 4.01 0.00 1.76 1.65 0.90 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 14 L 7.78 3.68 0.00 1.73 1.65 0.52 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 15 S 7.87 4.13 0.00 3.99 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.02 4.02 0.00 1.98 1.86 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.81 7.81 17 N 8.45 4.38 0.00 2.85 2.79 0.00 0.00 7.06 7.58 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 18 Y 7.95 4.54 0.00 3.18 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 8.47 4.26 0.00 3.23 3.54 0.00 5.59 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 8.12 3.96 0.00 1.95 1.70 0.93 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 21 E 8.23 4.04 0.00 2.26 2.04 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 2.57 2.66 0.00 22 N 8.26 4.40 0.00 2.93 2.86 0.00 0.00 7.01 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 E 8.19 3.94 0.00 2.10 1.95 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 2.23 2.27 0.00 24 V 7.96 3.56 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 1.01 0.00 0.00 0.95 0.00 0.00 25 A 7.98 3.97 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.86 3.83 0.00 1.82 2.13 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 8.28 4.15 0.00 1.76 1.69 0.95 0.67 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 28 K 8.31 4.09 0.00 2.03 1.85 0.00 1.79 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.44 7.81 29 K 7.59 3.96 0.00 1.88 1.91 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.10 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.51 7.81 30 L 7.45 4.33 0.00 1.88 1.70 0.92 0.67 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 31 V 7.77 3.88 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 0.85 0.00 0.00 0.93 0.00 0.00 32 G 7.44 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 E 9.01 3.93 0.00 2.08 2.10 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 2.27 2.33 0.00 34 R 7.95 4.19 0.00 1.98 1.96 0.00 3.40 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 1.53 1.55 0.00