NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 4.0036 8.2127 109.7424 45.5005 0.0000 174.5196 2 I 3.2582 8.2234 119.5755 62.5543 37.7841 173.5526 3 V 3.4749 7.7622 118.7908 66.0862 31.6505 176.8842 4 E 3.9116 8.0859 116.9772 59.5064 29.5079 178.3702 5 Q 4.1962 8.0005 117.0896 58.2679 29.0134 176.8451 6 C 5.0854 8.2899 115.3583 55.8912 41.9004 174.2696 7 C 4.3005 8.3104 117.6879 59.9750 28.7441 174.6038 8 T 4.2622 7.9106 109.7064 62.8148 69.6112 174.6901 9 S 4.7845 7.5022 114.7632 55.4248 66.2998 172.6070 10 I 3.9434 8.1556 121.8124 61.1677 37.4527 176.5317 11 C 4.9042 8.5676 123.1597 55.7784 39.0622 174.4045 12 S 4.5009 8.7135 119.5617 57.7583 64.8664 175.3775 13 L 4.0398 8.5063 121.5837 58.2578 41.0253 179.3428 14 Y 4.4055 7.8345 119.1047 60.2118 39.3417 176.9988 15 Q 3.9635 8.0371 118.8456 59.2653 28.9103 179.3332 16 L 4.2408 8.4112 120.0428 57.7418 41.1507 178.9242 17 E 4.0826 8.3054 118.4812 58.1356 29.2893 177.9751 18 N 4.0355 7.4927 116.0564 56.6446 39.0131 175.1123 19 Y 4.4382 7.8183 115.9522 57.0728 38.4251 175.2873 20 C 4.4682 7.1526 117.9242 59.4112 28.9698 173.5343 21 N 4.5241 8.6319 118.9844 53.7475 38.1091 175.1282 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 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.22 3.26 0.56 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.65 0.63 0.00 0.00 3 V 7.76 3.47 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 1.04 0.00 0.00 0.87 0.00 0.00 4 E 8.09 3.91 0.00 1.98 2.11 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 2.31 2.48 0.00 5 Q 8.00 4.20 0.00 2.26 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.47 0.00 0.00 0.00 0.00 0.00 2.72 2.70 0.00 6 C 8.29 5.09 0.00 2.97 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 7 C 8.31 4.30 0.00 3.06 2.94 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 8 T 7.91 4.26 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 1.26 0.00 0.00 9 S 7.50 4.78 0.00 3.98 3.97 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 0.00 0.00 0.00 10 I 8.16 3.94 1.89 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 1.42 0.54 0.92 0.00 0.00 11 C 8.57 4.90 0.00 2.98 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 12 S 8.71 4.50 0.00 4.15 4.08 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 13 L 8.51 4.04 0.00 1.78 1.83 0.95 0.71 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 7.83 4.41 0.00 2.89 3.02 0.00 0.00 0.00 0.00 0.00 0.00 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 8.04 3.96 0.00 2.45 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.57 0.00 0.00 0.00 0.00 0.00 2.39 2.53 0.00 16 L 8.41 4.24 0.00 1.84 1.79 0.95 0.78 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 17 E 8.31 4.08 0.00 2.07 2.23 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 2.24 2.31 0.00 18 N 7.49 4.04 0.00 2.33 2.39 0.00 0.00 7.12 6.86 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 19 Y 7.82 4.44 0.00 3.06 2.99 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 20 C 7.15 4.47 0.00 3.07 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 N 8.63 4.52 0.00 2.72 2.74 0.00 0.00 6.82 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