NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 4.0576 8.1600 109.1377 45.1261 0.0000 174.2523 2 I 3.4798 7.9036 119.1095 62.8067 37.5260 176.1427 3 L 4.0062 8.5421 121.0181 57.5881 41.4850 178.4982 4 E 4.0250 8.0463 118.1804 58.7876 29.2929 178.3032 5 Q 4.3339 7.9550 118.0486 56.9336 29.5790 175.2406 6 C 5.2395 8.0544 113.3936 55.8785 41.7185 173.9608 7 C 4.6540 8.1367 116.6799 59.5304 28.3593 174.0781 8 T 4.4316 7.9092 110.2306 62.2888 70.3238 174.5080 9 S 4.6223 7.5383 114.8543 55.4723 65.5621 172.4205 10 I 3.8405 8.3126 126.9993 61.1499 38.2596 176.0116 11 C 4.6683 8.5609 125.5690 56.0691 41.0119 174.2579 12 S 4.5532 8.5067 118.2760 57.9101 64.5635 175.4373 13 L 4.1201 8.4186 121.6667 57.7165 41.0849 178.9797 14 Y 4.3078 7.9701 118.6456 60.4293 39.1175 176.9246 15 Q 3.8503 7.9794 118.7624 58.4632 28.8576 178.3028 16 L 4.4203 8.0830 120.0264 57.2956 41.7302 178.7738 17 E 4.0413 7.7319 118.4653 58.8379 29.2651 177.7551 18 N 4.4267 7.3291 112.9249 54.4360 38.3448 174.8450 19 Y 4.5097 7.7280 117.9172 57.8012 39.0048 175.6952 20 C 4.3679 7.5522 117.8884 59.2821 28.9612 173.4905 21 N 4.5377 8.5530 117.7847 53.7924 38.1642 175.3630 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 8.16 4.06 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 0.00 0.00 0.00 2 I 7.90 3.48 0.91 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.24 0.67 0.00 0.00 3 L 8.54 4.01 0.00 1.69 1.66 0.89 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 4 E 8.05 4.02 0.00 2.23 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.42 0.00 5 Q 7.96 4.33 0.00 2.13 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.72 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 6 C 8.05 5.24 0.00 3.02 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 7 C 8.14 4.65 0.00 3.21 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 8 T 7.91 4.43 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 7.54 4.62 0.00 3.82 3.68 0.00 0.00 0.00 0.00 0.00 0.00 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 8.31 3.84 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 1.43 0.94 0.92 0.00 0.00 11 C 8.56 4.67 0.00 3.02 3.03 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 12 S 8.51 4.55 0.00 4.13 4.06 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 13 L 8.42 4.12 0.00 1.78 1.81 0.95 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 7.97 4.31 0.00 2.92 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 15 Q 7.98 3.85 0.00 2.32 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.59 0.00 0.00 0.00 0.00 0.00 2.37 2.45 0.00 16 L 8.08 4.42 0.00 1.90 1.79 0.94 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 17 E 7.73 4.04 0.00 2.20 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 2.28 2.37 0.00 18 N 7.33 4.43 0.00 2.38 2.34 0.00 0.00 6.88 7.34 0.00 0.00 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 7.73 4.51 0.00 3.16 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 20 C 7.55 4.37 0.00 3.08 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 8.55 4.54 0.00 2.72 2.74 0.00 0.00 6.80 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