NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9965 8.2127 109.7419 45.7268 0.0000 176.3868 2 I 3.3492 8.2060 120.7203 62.5183 37.7875 172.5987 3 V 3.5126 8.3538 120.1352 65.9954 31.7180 177.0450 4 E 3.9459 8.1371 116.4765 59.7421 29.4088 178.9189 5 Q 4.1927 8.0181 117.9754 58.4552 29.2262 175.7287 6 C 5.0547 7.7818 112.5394 56.4725 42.5583 174.0796 7 C 4.5896 8.1180 116.5789 59.7325 28.0563 173.8229 8 T 4.4239 7.9580 115.7542 64.5884 70.4646 174.3675 9 S 4.8077 7.6851 114.9115 56.1348 65.2008 174.0016 10 I 3.7887 8.2128 125.1018 61.5928 37.1934 176.5010 11 C 4.7079 8.6773 123.9789 56.2721 41.7948 174.5146 12 S 4.5238 8.5926 120.0553 57.7980 64.9724 175.4431 13 L 4.0000 8.4166 121.4556 57.7768 41.0569 178.7651 14 Y 4.1557 8.1644 118.4347 61.2973 38.5983 178.2632 15 Q 4.0324 7.8291 117.1280 58.6697 28.7487 178.6549 16 L 4.3240 8.1988 120.5135 57.6153 41.5460 178.8671 17 E 3.9347 8.2001 118.7303 59.8600 29.1777 179.0938 18 N 4.0210 7.3554 113.8282 56.1303 38.5961 175.9368 19 Y 4.3547 7.8479 115.7948 57.5647 38.6468 175.6713 20 C 4.4383 7.3554 118.2613 59.2853 29.0716 173.4792 21 N 4.5281 8.5516 118.0322 53.7692 38.1845 175.3345 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 8.21 3.35 0.89 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.21 0.66 0.00 0.00 3 V 8.35 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 0.99 0.00 0.00 0.88 0.00 0.00 4 E 8.14 3.95 0.00 2.11 2.02 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 2.32 2.44 0.00 5 Q 8.02 4.19 0.00 2.32 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.70 0.00 0.00 0.00 0.00 0.00 2.42 2.47 0.00 6 C 7.78 5.05 0.00 3.04 2.98 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 7 C 8.12 4.59 0.00 3.10 2.92 0.00 0.00 0.00 0.00 0.00 0.00 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 7.96 4.42 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 7.69 4.81 0.00 3.84 3.76 0.00 0.00 0.00 0.00 0.00 0.00 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 8.21 3.79 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 0.47 0.93 0.00 0.00 11 C 8.68 4.71 0.00 2.98 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 12 S 8.59 4.52 0.00 4.09 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 8.42 4.00 0.00 1.79 1.81 0.95 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 8.16 4.16 0.00 2.97 3.14 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 0.00 0.00 0.00 15 Q 7.83 4.03 0.00 2.39 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.58 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 16 L 8.20 4.32 0.00 1.87 1.77 0.93 0.91 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 8.20 3.93 0.00 2.07 1.84 0.00 0.00 0.00 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 2.36 0.00 18 N 7.36 4.02 0.00 2.26 2.48 0.00 0.00 7.05 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 7.85 4.35 0.00 3.03 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 20 C 7.36 4.44 0.00 3.06 2.86 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 0.00 0.00 0.00 0.00 21 N 8.55 4.53 0.00 2.72 2.73 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