NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 4.0487 8.1600 109.1379 45.3777 0.0000 173.6097 2 I 3.2110 8.2464 117.6654 63.2537 37.7271 173.0965 3 V 3.4927 8.4399 119.9324 66.0602 31.5559 177.2605 4 E 3.9728 8.0866 117.8206 59.4200 29.1724 178.9391 5 Q 4.2625 8.0131 116.6420 57.6136 29.2071 176.6080 6 C 4.9225 8.5510 115.0401 56.8627 40.9600 173.8431 7 C 4.5403 7.7994 117.6608 59.6396 28.3996 173.7016 8 T 4.4027 8.0201 108.8998 62.5126 70.1364 174.2258 9 S 4.7459 7.6464 114.6189 55.0601 65.1455 173.3005 10 I 3.7010 8.3834 126.6988 62.2051 37.2848 176.1517 11 C 4.9177 8.5706 122.7436 55.7099 41.1556 174.3398 12 S 4.5477 8.8524 119.1145 57.4619 65.1919 175.4738 13 L 3.8054 7.9027 121.8394 58.0877 40.9348 179.5226 14 Y 4.2074 6.6309 115.6178 61.0438 38.2603 177.6856 15 Q 4.2226 8.0739 119.2770 58.8972 28.7764 178.5652 16 L 4.3050 8.3785 120.4899 57.8425 41.7801 179.0347 17 E 4.0098 8.1249 119.0080 58.9943 29.2243 177.7263 18 N 4.6207 7.7127 113.5647 53.9881 38.6966 174.8631 19 Y 4.5832 7.8255 117.8218 58.0107 39.2035 175.9722 20 C 4.4746 7.6933 117.2767 59.1857 28.9681 173.4673 21 N 4.5442 8.5542 117.5538 53.8137 38.1430 175.3882 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 8.16 4.05 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 0.00 0.00 0.00 2 I 8.25 3.21 1.33 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.72 0.74 0.00 0.00 3 V 8.44 3.49 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 0.99 0.00 0.00 0.88 0.00 0.00 4 E 8.09 3.97 0.00 2.32 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 2.40 2.46 0.00 5 Q 8.01 4.26 0.00 2.09 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.77 0.00 0.00 0.00 0.00 0.00 2.69 2.70 0.00 6 C 8.55 4.92 0.00 2.90 3.06 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 0.00 0.00 0.00 0.00 7 C 7.80 4.54 0.00 3.17 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 8.02 4.40 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 7.65 4.75 0.00 3.81 3.75 0.00 0.00 0.00 0.00 0.00 0.00 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 8.38 3.70 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 1.41 0.65 0.91 0.00 0.00 11 C 8.57 4.92 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 8.85 4.55 0.00 3.93 4.13 0.00 0.00 0.00 0.00 0.00 0.00 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 7.90 3.81 0.00 1.11 1.51 0.80 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 6.63 4.21 0.00 3.00 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 15 Q 8.07 4.22 0.00 2.22 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.50 2.64 0.00 16 L 8.38 4.31 0.00 1.69 1.78 0.89 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.12 4.01 0.00 2.19 2.21 0.00 0.00 0.00 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 2.39 0.00 18 N 7.71 4.62 0.00 2.24 2.60 0.00 0.00 6.88 7.80 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 7.83 4.58 0.00 3.11 2.95 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 0.00 0.00 0.00 20 C 7.69 4.47 0.00 3.02 2.89 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 21 N 8.55 4.54 0.00 2.72 2.74 0.00 0.00 6.79 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