NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.6832 8.2076 120.5407 53.5304 42.6620 176.2953 2 P 4.0369 0.0000 0.0000 65.3404 31.3827 177.9196 3 C 4.1570 8.2505 118.4224 59.2858 42.2749 175.6912 4 Y 4.2322 8.0162 120.4801 60.8255 38.3913 177.4459 5 E 3.7637 8.0833 119.7444 59.3755 29.5288 178.7315 6 V 3.5303 7.6029 116.7169 66.5262 31.7777 176.7310 7 C 4.2655 8.3730 118.0627 59.4410 43.2845 175.1369 8 L 3.6581 8.1951 121.0172 58.1546 41.3615 178.9611 9 Q 4.0747 8.1186 118.5541 59.0475 29.6361 177.9639 10 Q 4.5760 8.4350 118.1207 53.8373 30.1532 172.3883 11 H 4.7827 7.6017 115.6870 54.9266 33.8114 173.9734 12 G 3.8630 7.8307 112.0068 45.4823 0.0000 171.5839 13 N 4.7225 8.3935 118.2004 52.0485 41.5671 174.4023 14 V 3.3656 9.1338 114.9995 66.2708 32.6074 182.4621 15 K 4.0220 8.8235 112.9414 56.0062 34.2904 176.8401 16 E 3.9984 9.3951 128.7189 60.4742 30.1739 178.0883 17 C 4.1385 7.7970 117.7010 59.9907 43.5676 175.5095 18 E 3.9095 8.7819 120.8242 59.4310 29.1290 178.4688 19 E 3.9073 7.7957 117.6963 59.1455 29.6643 178.2538 20 A 4.1924 7.9797 120.3551 54.9675 18.6929 178.5018 21 C 4.4006 8.5148 114.2808 57.1101 40.6312 173.8325 22 K 3.7600 8.0460 118.7083 58.1934 31.6298 175.2254 23 H 4.6513 8.0391 116.8546 54.3948 29.6532 173.4314 24 P 4.6057 0.0000 0.0000 62.1901 29.5525 176.1553 25 V 3.9797 6.9950 118.3060 61.4058 34.7065 176.3964 26 E 4.1609 8.4475 117.8778 56.6157 27.6997 176.5469 27 Y 3.9836 7.6466 124.0960 58.2500 39.7947 169.0388 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 D 8.21 4.68 0.00 2.87 2.68 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 2 P 0.00 4.04 0.00 2.33 2.30 0.00 3.71 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.08 0.00 3 C 8.25 4.16 0.00 2.81 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 4 Y 8.02 4.23 0.00 2.99 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 5 E 8.08 3.76 0.00 2.34 1.91 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 2.27 2.29 0.00 6 V 7.60 3.53 2.24 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 0.78 0.00 0.00 0.95 0.00 0.00 7 C 8.37 4.27 0.00 3.07 3.23 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 0.00 0.00 0.00 8 L 8.20 3.66 0.00 1.55 1.52 0.22 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 9 Q 8.12 4.07 0.00 2.16 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 7.32 0.00 0.00 0.00 0.00 0.00 2.34 2.54 0.00 10 Q 8.44 4.58 0.00 1.96 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.39 0.00 0.00 0.00 0.00 0.00 2.28 2.27 0.00 11 H 7.60 4.78 0.00 3.17 3.07 0.00 5.75 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 G 7.83 3.86 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 0.00 0.00 0.00 13 N 8.39 4.72 0.00 2.80 2.83 0.00 0.00 6.47 7.68 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 14 V 9.13 3.37 2.06 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 0.94 0.00 0.00 0.43 0.00 0.00 15 K 8.82 4.02 0.00 1.97 1.88 0.00 1.76 0.00 0.00 1.86 0.00 0.00 2.98 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.54 1.55 7.81 16 E 9.40 4.00 0.00 2.01 2.05 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 2.43 2.39 0.00 17 C 7.80 4.14 0.00 3.26 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 E 8.78 3.91 0.00 2.25 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 2.30 2.26 0.00 19 E 7.80 3.91 0.00 1.99 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 2.34 2.35 0.00 20 A 7.98 4.19 1.34 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 0.00 0.00 0.00 0.00 0.00 0.00 21 C 8.51 4.40 0.00 3.22 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 K 8.05 3.76 0.00 1.96 1.94 0.00 1.57 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.39 1.46 7.81 23 H 8.04 4.65 0.00 3.11 3.28 0.00 5.72 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 P 0.00 4.61 0.00 2.17 2.10 0.00 3.69 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.93 0.00 25 V 7.00 3.98 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 0.67 0.00 0.00 0.96 0.00 0.00 26 E 8.45 4.16 0.00 1.93 1.94 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 2.31 2.39 0.00 27 Y 7.65 3.98 0.00 3.00 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00