NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9964 8.3393 109.7372 44.8902 0.0000 174.6007 2 S 4.3738 7.4446 117.9951 54.6563 62.8939 170.5366 3 T 4.1481 8.6953 123.2330 62.0560 69.2333 176.6012 4 S 4.3942 8.3640 124.1422 58.9223 64.0090 172.1722 5 A 4.7062 8.0030 120.8426 51.6194 22.7798 175.8425 6 M 4.7185 8.5060 119.5643 55.0423 33.6984 176.5403 7 W 5.1489 8.1507 116.1597 55.1142 31.4837 174.1687 8 A 4.1018 8.8146 127.7612 51.5647 18.1848 176.4636 9 C 4.3867 9.0599 125.4792 59.8621 32.4681 173.5827 10 Q 4.6928 8.6705 118.8804 56.2120 28.6558 175.0246 11 H 4.8227 8.1617 113.5119 57.7693 31.0059 174.2943 12 C 4.3983 8.2228 111.0053 58.3206 30.4792 174.2263 13 T 3.5340 8.1765 115.5243 64.0148 65.0037 170.7753 14 F 4.5010 7.9374 123.7521 57.7026 41.0429 174.5506 15 M 3.9988 7.4628 125.5300 54.8280 32.2095 175.8984 16 N 4.3947 7.6373 122.5298 52.1064 41.0144 174.6525 17 Q 4.6916 8.5064 119.2755 54.3095 30.4834 176.0070 18 P 5.1327 0.0000 0.0000 64.6736 31.5159 177.9237 19 G 4.0309 8.1403 104.7881 45.5493 0.0000 174.2800 20 T 4.5024 7.7055 118.2789 61.4601 67.5640 174.4543 21 G 3.8954 8.7659 116.1052 48.0673 0.0000 170.5319 22 H 5.3807 8.1510 114.3460 53.6424 32.2432 172.1055 23 C 5.4676 9.6877 120.6877 57.9381 31.9661 173.8071 24 E 4.2301 8.8288 123.7058 57.6009 29.6010 176.5514 25 M 4.1457 7.5050 117.7405 57.1259 33.5487 176.8432 26 C 4.1843 7.8317 111.1189 58.4055 30.6081 174.3810 27 S 4.2129 8.1294 113.5502 58.3186 61.3380 169.0920 28 L 4.6126 7.5693 118.7674 53.6753 43.0811 174.2145 29 P 4.3434 0.0000 0.0000 62.2312 32.0617 176.1619 30 R 3.4279 8.5766 124.5858 57.4211 30.6858 176.3014 31 T 3.7489 8.3416 118.4754 62.6300 68.8869 171.6899 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 G 8.34 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 0.00 0.00 0.00 2 S 7.44 4.37 0.00 4.01 3.84 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.70 4.15 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 4 S 8.36 4.39 0.00 3.94 3.88 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.00 4.71 1.23 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 0.00 0.00 0.00 0.00 0.00 0.00 6 M 8.51 4.72 0.00 1.98 1.96 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.47 0.00 7 W 8.15 5.15 0.00 3.41 3.13 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.81 4.10 1.23 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 0.00 0.00 0.00 0.00 0.00 0.00 9 C 9.06 4.39 0.00 3.17 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 10 Q 8.67 4.69 0.00 2.13 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.81 0.00 0.00 0.00 0.00 0.00 1.68 2.18 0.00 11 H 8.16 4.82 0.00 3.19 3.34 0.00 5.69 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 C 8.22 4.40 0.00 3.12 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 8.18 3.53 4.27 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 0.00 0.00 0.00 1.22 0.00 0.00 14 F 7.94 4.50 0.00 3.10 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 M 7.46 4.00 0.00 1.49 1.55 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.28 0.00 16 N 7.64 4.39 0.00 1.44 2.06 0.00 0.00 5.19 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 Q 8.51 4.69 0.00 2.04 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.92 6.72 0.00 0.00 0.00 0.00 0.00 2.36 2.52 0.00 18 P 0.00 5.13 0.00 2.11 2.36 0.00 3.76 0.00 0.00 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.12 0.00 19 G 8.14 4.03 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 0.00 0.00 0.00 20 T 7.71 4.50 4.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 21 G 8.77 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.15 5.38 0.00 3.17 3.45 0.00 5.89 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 C 9.69 5.47 0.00 3.28 2.96 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.83 4.23 0.00 2.03 2.05 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 2.34 1.93 0.00 25 M 7.50 4.15 0.00 1.68 1.77 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.81 0.00 26 C 7.83 4.18 0.00 3.10 3.07 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 27 S 8.13 4.21 0.00 4.06 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 28 L 7.57 4.61 0.00 1.87 1.62 0.91 0.86 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 29 P 0.00 4.34 0.00 1.87 1.69 0.00 3.79 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 1.95 1.93 0.00 30 R 8.58 3.43 0.00 0.67 1.22 0.00 2.21 0.00 0.00 2.26 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.50 0.00 31 T 8.34 3.75 4.05 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 1.02 0.00 0.00