NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9957 8.2127 109.7441 45.0993 0.0000 174.2058 2 I 3.1174 7.9204 119.1261 62.3051 37.5327 172.6221 3 V 3.4677 7.7176 119.0501 65.8255 31.7014 176.9359 4 E 3.9267 8.0410 117.2927 59.5879 29.5910 178.3988 5 Q 4.2043 8.2982 117.1432 58.1053 28.9478 176.8020 6 C 5.2345 8.2382 115.4022 55.8838 41.8605 174.1675 7 C 4.3102 8.1414 117.2708 59.9236 29.2372 174.7078 8 T 4.3078 7.9753 108.6666 62.6245 69.6878 175.0654 9 S 4.8179 7.5471 117.0916 55.7700 65.7325 173.2260 10 I 3.9900 8.1567 123.2463 61.0294 38.5112 175.6877 11 C 5.1370 8.4220 124.0206 55.1004 42.8783 174.6825 12 S 4.4933 8.9686 119.8986 57.7609 64.8186 175.4855 13 L 3.9931 8.4146 121.3115 58.0327 41.0564 179.0451 14 Y 4.2000 8.0246 117.9340 60.9975 39.2056 177.8043 15 Q 3.9306 8.1637 118.8583 58.9337 28.7726 178.8128 16 L 4.2107 8.2642 120.2241 57.7727 41.6739 179.1349 17 E 3.9505 8.3662 119.2527 58.8509 29.2400 178.0602 18 N 3.9713 7.4129 116.2936 56.5353 38.9589 175.3002 19 Y 4.2578 7.9015 115.8096 57.4335 38.3519 175.4187 20 C 4.4833 7.2042 118.1879 59.3074 29.0087 173.4970 21 N 4.5191 8.5782 118.1771 53.7828 38.1166 175.2612 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 7.92 3.12 0.66 0.00 0.00 0.29 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 1.08 0.65 0.00 0.00 3 V 7.72 3.47 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 0.94 0.00 0.00 0.87 0.00 0.00 4 E 8.04 3.93 0.00 1.98 2.12 0.00 0.00 0.00 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 2.48 0.00 5 Q 8.30 4.20 0.00 2.11 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.46 0.00 0.00 0.00 0.00 0.00 2.69 2.70 0.00 6 C 8.24 5.23 0.00 2.91 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 8.14 4.31 0.00 3.09 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 7.98 4.31 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 7.55 4.82 0.00 3.88 3.78 0.00 0.00 0.00 0.00 0.00 0.00 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 8.16 3.99 1.88 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 1.43 0.63 0.92 0.00 0.00 11 C 8.42 5.14 0.00 3.00 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 12 S 8.97 4.49 0.00 4.12 4.08 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 13 L 8.41 3.99 0.00 1.74 1.82 0.95 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 8.02 4.20 0.00 2.88 3.03 0.00 0.00 0.00 0.00 0.00 0.00 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 8.16 3.93 0.00 2.41 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.57 0.00 0.00 0.00 0.00 0.00 2.39 2.49 0.00 16 L 8.26 4.21 0.00 1.89 1.78 0.94 0.91 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 17 E 8.37 3.95 0.00 2.18 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 0.00 2.29 2.33 0.00 18 N 7.41 3.97 0.00 2.34 2.28 0.00 0.00 7.17 6.91 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 19 Y 7.90 4.26 0.00 3.07 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 20 C 7.20 4.48 0.00 3.05 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 8.58 4.52 0.00 2.71 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