NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 S 4.4416 8.1933 115.2897 58.4342 64.7668 175.9042 1 N 4.2500 7.8959 117.4649 55.5055 38.2750 176.1609 2 L 3.9856 8.5997 121.5230 57.9598 42.3252 179.3042 3 V 3.5918 7.8255 111.6000 64.1937 31.5011 178.3318 4 A 3.9661 7.9656 120.5936 55.2324 18.2311 179.5108 5 Q 3.8892 7.9516 117.6295 59.3020 29.1392 178.1855 6 L 4.0045 8.1533 120.2547 58.1057 41.6775 179.4946 7 E 4.0340 8.4476 118.2816 58.9672 29.3492 179.1731 8 N 4.2744 7.9865 116.7525 56.2211 38.5916 176.5840 9 E 3.8515 8.4489 121.0615 59.5559 29.6794 178.7762 10 V 3.5428 7.8888 117.7484 66.3958 31.4935 177.9174 11 A 4.2980 7.7024 120.9410 54.4565 18.1858 179.7650 12 S 4.0539 8.6003 114.1695 61.9300 62.9495 177.0196 13 L 4.0595 8.2059 121.7686 57.6760 41.0582 179.4439 14 E 3.9943 8.3595 118.7558 59.2825 29.3534 179.1529 15 N 4.3729 8.1213 116.4802 56.2794 38.6708 176.8971 16 E 3.9046 8.0841 120.6436 59.6004 29.6772 178.7001 17 N 4.3339 8.1627 116.3347 56.3222 38.5102 177.0684 18 E 4.0326 8.4332 120.8382 59.4384 29.6021 179.1212 19 T 3.9135 7.9421 115.9877 66.4771 68.7356 176.7276 20 L 4.0068 8.1026 122.2847 57.8757 42.0663 178.9299 21 K 4.0236 8.5626 120.3122 59.1624 32.0802 179.0941 22 K 4.0268 7.8478 118.7625 59.3059 32.0732 179.4009 23 K 4.0025 8.4522 119.2102 59.5010 31.8664 179.2215 24 N 4.3281 8.0890 116.2251 56.4216 38.6918 177.4614 25 L 3.9867 8.0079 120.2704 58.0058 41.5624 179.2413 26 H 4.2680 8.3261 118.3401 59.1415 29.8925 177.4568 27 K 3.9846 8.0264 120.0614 59.2665 31.8270 179.4494 28 K 4.0577 8.1843 119.1466 59.3158 31.9408 179.1395 29 D 4.3825 7.9337 118.9916 57.0218 40.6731 178.3256 30 L 3.9142 8.1942 121.3491 58.2878 41.9696 179.1356 31 I 3.6887 7.8980 119.3041 64.4736 37.1061 178.1930 32 A 3.9837 7.8877 121.0339 55.2632 18.1136 179.1394 33 Y 3.9247 7.9881 117.9540 61.0183 38.9078 178.2942 34 L 3.9819 8.2929 119.9853 57.7449 41.6479 179.4266 35 E 3.9321 8.4725 119.0077 59.1197 29.2621 179.2054 36 K 3.9701 8.0935 119.6950 59.0232 32.0613 178.9437 37 E 3.8019 7.7259 119.1320 59.4447 29.3742 179.1645 38 I 3.6313 7.8887 119.7506 64.4420 37.2157 178.4090 39 A 3.9895 8.0467 121.5126 54.8301 17.9613 178.9009 40 N 4.5399 7.5436 113.4466 54.8661 39.3892 177.4218 41 L 4.1374 8.0267 121.3950 57.7475 41.7106 179.5417 42 R 3.9343 8.3837 118.4786 59.1229 29.8108 178.9526 43 K 3.9142 7.7638 117.2181 59.5223 32.0163 179.1757 44 K 4.1039 7.5199 117.5050 59.7139 32.2078 178.6973 45 I 3.9722 7.6411 118.4108 63.6921 37.6191 175.9969 46 E 4.2313 8.7428 122.8485 56.6362 29.3867 174.6726 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 0 S 8.19 4.44 0.00 3.87 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 1 N 7.90 4.25 0.00 2.85 2.85 0.00 0.00 6.96 5.85 0.00 0.00 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 L 8.60 3.99 0.00 1.69 1.70 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 3 V 7.83 3.59 2.08 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 0.79 0.00 0.00 0.97 0.00 0.00 4 A 7.97 3.97 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.95 3.89 0.00 2.22 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.72 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 6 L 8.15 4.00 0.00 1.89 1.71 0.92 1.22 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 7 E 8.45 4.03 0.00 2.01 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.56 0.00 8 N 7.99 4.27 0.00 3.02 2.86 0.00 0.00 6.49 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 E 8.45 3.85 0.00 2.09 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 2.31 2.34 0.00 10 V 7.89 3.54 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 1.03 0.00 0.00 11 A 7.70 4.30 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.60 4.05 0.00 3.93 3.92 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 13 L 8.21 4.06 0.00 1.83 1.71 0.92 1.21 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 E 8.36 3.99 0.00 2.21 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.47 0.00 15 N 8.12 4.37 0.00 2.89 2.86 0.00 0.00 6.64 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 16 E 8.08 3.90 0.00 2.05 1.95 0.00 0.00 0.00 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 2.36 0.00 17 N 8.16 4.33 0.00 2.93 2.85 0.00 0.00 6.71 7.81 0.00 0.00 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 8.43 4.03 0.00 2.06 2.18 0.00 0.00 0.00 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 2.35 0.00 19 T 7.94 3.91 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 20 L 8.10 4.01 0.00 1.86 1.80 0.92 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 21 K 8.56 4.02 0.00 1.82 1.99 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.48 7.81 22 K 7.85 4.03 0.00 1.99 1.83 0.00 1.72 0.00 0.00 1.64 0.00 0.00 3.06 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.63 7.81 23 K 8.45 4.00 0.00 1.92 1.88 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.67 7.81 24 N 8.09 4.33 0.00 2.94 2.86 0.00 0.00 6.98 6.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 L 8.01 3.99 0.00 1.86 1.74 0.96 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 26 H 8.33 4.27 0.00 3.25 3.48 0.00 5.79 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 K 8.03 3.98 0.00 2.02 1.84 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.71 7.81 28 K 8.18 4.06 0.00 1.97 1.86 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.48 7.81 29 D 7.93 4.38 0.00 2.87 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 L 8.19 3.91 0.00 1.57 1.70 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 31 I 7.90 3.69 2.03 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.72 0.92 0.00 0.00 32 A 7.89 3.98 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 Y 7.99 3.92 0.00 3.20 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 L 8.29 3.98 0.00 1.75 1.72 0.96 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 35 E 8.47 3.93 0.00 2.18 1.97 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 2.32 2.44 0.00 36 K 8.09 3.97 0.00 1.84 1.77 0.00 1.60 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.32 1.42 7.81 37 E 7.73 3.80 0.00 2.06 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.17 0.00 38 I 7.89 3.63 1.96 0.00 0.00 0.85 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 0.74 0.89 0.00 0.00 39 A 8.05 3.99 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 N 7.54 4.54 0.00 2.68 2.84 0.00 0.00 7.07 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 L 8.03 4.14 0.00 1.88 1.69 0.90 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 42 R 8.38 3.93 0.00 1.83 1.96 0.00 3.14 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.83 0.00 43 K 7.76 3.91 0.00 1.89 1.90 0.00 1.87 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.58 7.81 44 K 7.52 4.10 0.00 2.08 1.85 0.00 1.69 0.00 0.00 1.69 0.00 0.00 3.06 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.63 7.81 45 I 7.64 3.97 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.33 0.91 0.00 0.00 46 E 8.74 4.23 0.00 1.97 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 2.32 2.27 0.00