NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9439 8.2127 109.7359 45.3330 0.0000 173.6747 2 I 3.4036 8.0983 117.5439 63.1418 37.3316 173.1902 3 V 3.5007 8.3099 120.0753 65.9579 31.7798 177.3507 4 E 3.9302 7.9901 117.8406 59.2378 29.4069 178.7263 5 Q 3.9436 8.3680 120.0068 59.6000 28.9289 177.8866 6 C 4.2378 8.0304 115.9743 59.6750 40.1852 175.1032 7 C 4.2459 7.3619 119.3997 61.8153 31.6317 175.2016 8 T 4.2048 8.1706 110.2772 62.8103 69.2165 174.9606 9 S 4.7131 8.6645 115.8740 57.8256 62.2619 174.9363 10 I 4.8034 8.2387 110.9887 59.1637 40.3088 172.6271 11 C 5.0498 8.3321 114.0584 53.1957 43.7135 173.9678 12 S 4.8553 8.8950 116.3018 57.0468 66.0278 175.4028 13 L 4.0205 8.2742 121.9490 57.9025 41.0721 179.4085 14 Y 4.0099 7.8630 115.9352 60.9492 38.2155 177.6681 15 Q 4.2594 8.4323 119.1389 59.0163 28.7463 178.7644 16 L 4.1791 8.1036 120.0739 57.7802 41.6402 179.0631 17 E 3.9390 8.3462 119.1315 59.1133 29.2517 178.2527 18 N 4.4428 7.9727 114.5745 55.0859 38.6279 175.5749 19 Y 4.1698 7.7956 117.0887 57.0581 38.7451 175.5667 20 C 4.4219 7.2063 118.3387 59.4017 29.0340 173.5076 21 N 4.5258 8.5693 118.3529 53.7509 38.1886 175.2862 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 3.94 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 0.00 0.00 0.00 2 I 8.10 3.40 1.52 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.00 -0.10 0.00 0.00 3 V 8.31 3.50 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 0.92 0.00 0.00 0.81 0.00 0.00 4 E 7.99 3.93 0.00 2.20 1.96 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 2.38 2.40 0.00 5 Q 8.37 3.94 0.00 2.16 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 7.08 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 6 C 8.03 4.24 0.00 2.95 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 7 C 7.36 4.25 0.00 2.81 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 8 T 8.17 4.20 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 1.25 0.00 0.00 9 S 8.66 4.71 0.00 3.79 3.30 0.00 0.00 0.00 0.00 0.00 0.00 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 4.80 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.85 0.91 0.00 0.00 11 C 8.33 5.05 0.00 3.19 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 12 S 8.89 4.86 0.00 4.23 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 13 L 8.27 4.02 0.00 1.40 1.54 0.83 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 7.86 4.01 0.00 3.00 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 15 Q 8.43 4.26 0.00 2.34 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.83 0.00 0.00 0.00 0.00 0.00 2.46 2.49 0.00 16 L 8.10 4.18 0.00 1.89 1.75 0.90 0.73 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 8.35 3.94 0.00 2.16 2.12 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 2.31 2.34 0.00 18 N 7.97 4.44 0.00 2.67 2.54 0.00 0.00 6.98 8.01 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 19 Y 7.80 4.17 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 20 C 7.21 4.42 0.00 2.98 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 N 8.57 4.53 0.00 2.71 2.73 0.00 0.00 6.82 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00