NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8414 8.3544 109.7435 41.0857 0.0000 174.2371 2 I 2.9877 7.8427 122.4703 60.2931 38.2897 170.8219 3 V 3.5846 8.3538 120.4253 66.0874 31.0792 177.0356 4 E 3.9278 8.0961 117.6377 59.6688 28.7509 179.1050 5 Q 4.1769 8.0584 118.8534 58.4881 29.1354 177.4932 6 C 4.9976 8.6958 116.8430 56.6185 41.2436 174.7035 7 C 4.1835 8.1702 117.7969 60.8294 28.4621 174.9687 8 T 4.3249 7.2172 106.9955 61.6647 69.7136 174.8179 9 S 4.6302 7.1586 115.9408 55.9871 65.7343 172.9228 10 I 4.0439 8.3968 127.5803 61.6577 37.3454 176.0677 11 C 5.0288 8.5615 123.0058 55.3049 40.0454 174.5346 12 S 4.5567 8.6162 119.2300 57.4860 65.1139 175.4050 13 L 3.8799 8.3205 121.5182 58.1791 40.9783 179.2845 14 Y 4.1086 7.5064 114.8583 61.4909 37.7571 178.5970 15 Q 4.2045 8.0652 118.7836 58.8116 28.8113 178.7046 16 L 4.3065 8.1302 120.2254 57.5708 41.7447 178.9851 17 E 4.0315 8.3388 119.3633 58.9802 29.2766 178.3543 18 N 4.2550 7.6482 115.3253 55.7473 38.5286 175.6550 19 Y 4.5987 7.4246 115.6060 57.0875 38.5450 175.5685 20 C 4.4819 7.2185 117.8689 59.0402 29.1040 173.5354 21 N 4.5249 8.6061 117.5923 53.8744 38.0740 175.2980 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 8.35 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 2 I 7.84 2.99 0.56 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.33 0.62 0.00 0.00 3 V 8.35 3.58 2.03 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 0.98 0.00 0.00 0.87 0.00 0.00 4 E 8.10 3.93 0.00 2.10 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 2.43 0.00 5 Q 8.06 4.18 0.00 2.19 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.74 0.00 0.00 0.00 0.00 0.00 2.49 2.50 0.00 6 C 8.70 5.00 0.00 2.94 3.07 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 7 C 8.17 4.18 0.00 3.08 2.96 0.00 0.00 0.00 0.00 0.00 0.00 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 7.22 4.32 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 7.16 4.63 0.00 4.00 3.68 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 10 I 8.40 4.04 1.89 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 0.66 0.93 0.00 0.00 11 C 8.56 5.03 0.00 2.98 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 12 S 8.62 4.56 0.00 4.23 4.10 0.00 0.00 0.00 0.00 0.00 0.00 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 8.32 3.88 0.00 1.18 1.51 0.77 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 7.51 4.11 0.00 3.04 3.07 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 15 Q 8.07 4.20 0.00 2.15 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.80 0.00 0.00 0.00 0.00 0.00 2.45 2.50 0.00 16 L 8.13 4.31 0.00 1.89 1.78 0.92 0.85 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 17 E 8.34 4.03 0.00 2.17 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 0.00 2.31 2.34 0.00 18 N 7.65 4.26 0.00 2.49 2.46 0.00 0.00 6.95 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 7.42 4.60 0.00 3.12 2.97 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 0.00 0.00 0.00 20 C 7.22 4.48 0.00 3.10 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 8.61 4.52 0.00 2.72 2.75 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