NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9368 8.2127 109.7354 45.5590 0.0000 176.3638 2 I 3.2470 8.2478 123.4681 62.6514 37.7910 171.7974 3 V 3.8128 7.8085 116.3839 63.5781 32.2269 175.4043 4 E 4.5266 7.8639 117.7950 57.1916 31.6637 177.1246 5 Q 4.2351 7.4924 116.8439 58.8108 29.1090 177.4128 6 C 5.0514 7.8465 116.5797 58.4355 40.3916 174.2669 7 C 4.4358 7.7725 116.2881 59.3860 28.3142 173.4354 8 K 4.4286 8.0386 120.8500 57.1357 34.0029 176.3951 9 S 4.6775 7.9545 112.3502 56.0336 65.9246 173.1924 10 I 4.1302 8.3047 117.7019 60.9072 38.1192 176.1050 11 C 4.7517 8.5872 122.1921 56.1484 35.4332 174.3634 12 S 4.5104 8.4542 119.6327 57.6104 64.7647 175.1567 13 L 3.9060 8.3663 122.3618 58.4398 41.3720 178.2853 14 Y 4.1524 7.7687 115.6154 60.7106 38.0764 177.1617 15 Q 4.1492 7.7378 118.4816 58.3906 29.4072 177.3786 16 L 4.5998 7.8901 119.3282 57.0672 41.7643 178.5863 17 E 4.0963 7.8650 117.0438 58.6647 29.0166 178.9092 18 N 4.1394 7.7746 115.9667 56.5292 38.5645 175.5928 19 Y 4.4109 7.0770 111.9973 59.0192 38.0509 175.4724 20 C 4.5394 7.4533 118.6784 58.7942 29.8615 173.4975 21 N 4.5440 8.5024 116.8581 53.8954 38.3082 175.4503 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 8.25 3.25 1.03 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.56 0.70 0.00 0.00 3 V 7.81 3.81 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 0.78 0.00 0.00 0.86 0.00 0.00 4 E 7.86 4.53 0.00 1.94 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.34 0.00 5 Q 7.49 4.24 0.00 2.20 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.60 0.00 0.00 0.00 0.00 0.00 2.38 2.55 0.00 6 C 7.85 5.05 0.00 2.92 3.13 0.00 0.00 0.00 0.00 0.00 0.00 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 7.77 4.44 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 8 K 8.04 4.43 0.00 1.83 1.90 0.00 1.62 0.00 0.00 1.75 0.00 0.00 3.16 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.31 1.44 7.81 9 S 7.95 4.68 0.00 4.03 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 10 I 8.30 4.13 1.89 0.00 0.00 0.88 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 0.62 0.92 0.00 0.00 11 C 8.59 4.75 0.00 3.05 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 8.45 4.51 0.00 4.19 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 8.37 3.91 0.00 1.61 1.36 0.75 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 7.77 4.15 0.00 3.04 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 15 Q 7.74 4.15 0.00 2.17 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.98 0.00 0.00 0.00 0.00 0.00 2.46 2.44 0.00 16 L 7.89 4.60 0.00 1.96 1.79 0.94 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 17 E 7.86 4.10 0.00 2.21 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.29 0.00 18 N 7.77 4.14 0.00 1.53 2.39 0.00 0.00 6.98 7.46 0.00 0.00 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 7.08 4.41 0.00 3.12 2.97 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 20 C 7.45 4.54 0.00 2.93 2.91 0.00 0.00 0.00 0.00 0.00 0.00 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 8.50 4.54 0.00 2.71 2.72 0.00 0.00 6.67 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