NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 4.0058 8.2127 109.7424 45.0526 0.0000 175.9995 2 I 3.1567 8.3726 120.4063 63.1961 37.7642 172.5919 3 V 3.5598 8.4160 119.9462 65.9076 31.5832 177.3048 4 E 3.9357 7.9830 116.9679 59.4891 29.5274 178.6294 5 Q 4.1583 8.0408 118.2954 58.5682 29.3010 176.5079 6 C 5.1264 8.0599 114.9894 55.9136 41.9099 174.1880 7 C 4.3033 7.9394 117.1809 59.9766 28.8034 174.6667 8 T 4.2767 7.9172 109.6838 62.9166 69.0600 174.8299 9 S 4.7662 7.4694 114.8661 55.3666 66.3442 172.8756 10 I 3.9840 8.2355 122.0610 61.5456 37.3908 176.3298 11 C 4.9931 8.5034 122.5687 55.0943 42.2365 174.5127 12 S 4.3908 8.6057 119.7440 58.2360 64.6114 175.5475 13 L 3.9968 8.2003 121.4005 57.8936 40.9822 179.4939 14 Y 4.3121 7.5676 115.7702 61.1136 38.3542 177.6891 15 Q 4.2204 8.3011 118.9664 59.2206 28.8114 179.1300 16 L 4.3228 8.1417 119.7631 57.7363 41.7288 179.0272 17 E 3.9965 8.3719 119.1552 59.0535 29.2428 178.3504 18 N 4.4015 7.8866 114.8106 55.4002 38.5847 175.6153 19 Y 4.5183 7.7538 116.8127 57.3141 38.6151 175.4935 20 C 4.4813 7.1946 117.6797 59.2110 29.0770 173.4989 21 N 4.5474 8.5627 117.6053 53.8131 38.1431 175.3784 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 8.21 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 2 I 8.37 3.16 0.90 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.24 0.67 0.00 0.00 3 V 8.42 3.56 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 0.99 0.00 0.00 0.87 0.00 0.00 4 E 7.98 3.94 0.00 2.13 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 2.32 2.43 0.00 5 Q 8.04 4.16 0.00 2.15 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.69 0.00 0.00 0.00 0.00 0.00 2.46 2.46 0.00 6 C 8.06 5.13 0.00 3.03 3.06 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.94 4.30 0.00 3.21 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 8 T 7.92 4.28 4.24 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 1.21 0.00 0.00 9 S 7.47 4.77 0.00 3.97 3.95 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 10 I 8.24 3.98 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.54 0.91 0.00 0.00 11 C 8.50 4.99 0.00 2.98 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 12 S 8.61 4.39 0.00 4.11 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 13 L 8.20 4.00 0.00 1.34 1.57 0.80 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 7.57 4.31 0.00 2.98 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 15 Q 8.30 4.22 0.00 2.34 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.79 0.00 0.00 0.00 0.00 0.00 2.44 2.49 0.00 16 L 8.14 4.32 0.00 1.91 1.81 0.92 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.37 4.00 0.00 2.23 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 18 N 7.89 4.40 0.00 2.58 2.49 0.00 0.00 6.95 6.83 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 19 Y 7.75 4.52 0.00 3.07 3.01 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 0.00 0.00 0.00 20 C 7.19 4.48 0.00 3.02 2.89 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.56 4.55 0.00 2.73 2.74 0.00 0.00 6.79 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00