NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9782 8.2127 109.7401 45.5293 0.0000 173.9833 2 I 3.2310 8.2383 117.7272 63.1361 37.7662 173.9088 3 V 3.5096 8.3789 120.1744 65.8542 31.6584 177.3016 4 E 3.9634 7.9939 116.8099 59.5475 29.4829 178.9037 5 Q 4.1759 8.1484 116.9599 58.4498 28.9523 177.1867 6 C 5.0257 8.2430 115.4230 56.0597 41.7865 174.2729 7 C 4.2699 8.0201 116.8717 60.3616 29.0251 175.2523 8 T 4.1633 8.0009 116.2253 65.4415 68.5949 174.8659 9 S 4.8002 7.5317 113.7872 55.8362 66.1995 173.0285 10 I 3.8968 8.1947 122.5367 61.5503 37.4329 176.5302 11 C 4.8360 8.5452 122.9274 55.8390 41.7607 174.4295 12 S 4.5090 8.8340 119.3471 57.9193 64.8271 175.5576 13 L 3.9934 8.4395 121.9947 58.1211 41.1037 179.0947 14 Y 4.2292 8.0376 118.1089 60.8503 38.9951 177.8208 15 Q 3.8891 8.2147 118.8980 58.8916 28.8549 178.4642 16 L 4.1826 8.2066 120.2615 58.0812 41.7683 179.2802 17 E 3.9591 8.3186 118.8223 58.8956 29.2256 177.9868 18 N 3.9402 7.3702 116.2851 56.5342 38.8014 175.1821 19 Y 4.3934 7.6433 114.8360 57.1628 38.7871 175.7365 20 C 4.4064 7.2632 118.2397 59.2920 29.0010 173.5035 21 N 4.5216 8.6316 118.6558 53.7841 38.0893 175.1548 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 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 2 I 8.24 3.23 1.05 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.63 0.68 0.00 0.00 3 V 8.38 3.51 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 0.98 0.00 0.00 0.87 0.00 0.00 4 E 7.99 3.96 0.00 2.12 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 2.32 2.46 0.00 5 Q 8.15 4.18 0.00 2.19 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.71 0.00 0.00 0.00 0.00 0.00 2.63 2.68 0.00 6 C 8.24 5.03 0.00 2.93 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 7 C 8.02 4.27 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 8 T 8.00 4.16 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 7.53 4.80 0.00 3.95 3.91 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 10 I 8.19 3.90 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 1.42 0.54 0.92 0.00 0.00 11 C 8.55 4.84 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 12 S 8.83 4.51 0.00 4.14 4.07 0.00 0.00 0.00 0.00 0.00 0.00 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 8.44 3.99 0.00 1.77 1.81 0.95 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 8.04 4.23 0.00 2.93 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 8.21 3.89 0.00 2.41 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.53 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 16 L 8.21 4.18 0.00 1.92 1.79 0.94 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.32 3.96 0.00 2.17 2.07 0.00 0.00 0.00 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 2.32 0.00 18 N 7.37 3.94 0.00 2.32 2.32 0.00 0.00 7.15 8.80 0.00 0.00 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 7.64 4.39 0.00 3.13 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 7.26 4.41 0.00 3.00 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 6.81 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