NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8901 8.2133 109.7253 45.4221 0.0000 175.2851 2 I 3.6379 7.0623 121.1099 61.3060 37.9864 171.8572 3 V 4.1884 7.6261 119.4775 62.5727 32.5453 174.3696 4 E 4.8079 7.9247 122.0764 56.7982 36.9881 177.5318 5 Q 4.0562 8.2006 118.5320 58.3393 29.1621 175.8577 6 C 5.3867 7.9258 111.2843 55.9225 42.2616 174.1522 7 C 4.0159 8.0198 118.7263 60.8140 31.4478 173.6690 8 T 4.5098 7.1031 107.8910 60.6554 68.9474 174.0738 9 S 4.5124 7.5586 112.9784 57.7801 64.9854 176.3326 10 I 3.9336 8.6123 125.8405 62.0431 37.5167 175.5839 11 C 5.1530 8.2934 118.5410 55.2912 38.9690 173.8992 12 S 4.7284 7.8270 114.2344 57.0108 66.1444 175.1351 13 L 3.9015 7.6978 124.1051 58.3032 41.5121 178.8860 14 Y 4.3078 6.7173 115.7658 61.2726 38.1106 177.8777 15 Q 4.0588 8.0222 118.4886 58.8521 28.7635 178.5178 16 L 4.2210 7.9109 119.6271 57.2425 41.6569 178.8177 17 E 4.0480 8.0708 119.2741 58.7017 29.3397 178.2141 18 N 4.3747 7.4066 115.7599 55.5463 38.5945 175.7744 19 Y 4.7061 6.9907 116.2203 57.5086 38.5505 175.5459 20 C 4.4412 7.1645 118.2073 59.3565 28.9956 173.5296 21 N 4.5498 8.6006 117.7719 53.8309 38.1007 175.3056 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 3.89 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 0.00 0.00 0.00 2 I 7.06 3.64 1.63 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.46 0.05 0.82 0.00 0.00 3 V 7.63 4.19 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 0.69 0.00 0.00 0.87 0.00 0.00 4 E 7.92 4.81 0.00 1.91 1.82 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 0.00 2.15 2.18 0.00 5 Q 8.20 4.06 0.00 2.11 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.67 0.00 0.00 0.00 0.00 0.00 2.43 2.38 0.00 6 C 7.93 5.39 0.00 2.97 3.08 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 0.00 0.00 0.00 0.00 7 C 8.02 4.02 0.00 3.00 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 8 T 7.10 4.51 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 7.56 4.51 0.00 3.97 3.96 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 10 I 8.61 3.93 1.86 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 1.40 0.40 0.89 0.00 0.00 11 C 8.29 5.15 0.00 2.93 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 12 S 7.83 4.73 0.00 3.64 3.51 0.00 0.00 0.00 0.00 0.00 0.00 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 7.70 3.90 0.00 1.49 1.27 0.88 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 6.72 4.31 0.00 3.03 2.90 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 15 Q 8.02 4.06 0.00 2.21 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.94 0.00 0.00 0.00 0.00 0.00 2.44 2.47 0.00 16 L 7.91 4.22 0.00 1.85 1.78 0.97 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.07 4.05 0.00 2.27 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 2.31 2.37 0.00 18 N 7.41 4.37 0.00 2.25 2.58 0.00 0.00 6.79 7.24 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 19 Y 6.99 4.71 0.00 3.11 2.93 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 7.16 4.44 0.00 3.21 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 8.60 4.55 0.00 2.71 2.75 0.00 0.00 6.81 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