NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9583 8.2127 109.7416 45.0057 0.0000 173.8966 2 I 3.2993 8.3036 117.8922 63.4401 37.2933 172.3457 3 V 3.5261 8.4165 119.8934 66.1965 31.8912 177.3019 4 E 3.9509 8.1359 117.6844 59.2254 29.0865 178.9610 5 Q 4.1461 7.9527 117.2317 57.9886 29.1787 176.7197 6 C 4.6477 8.5160 116.1057 57.3023 41.2295 174.1251 7 C 4.3532 7.9733 119.0258 61.0692 32.2709 174.5871 8 A 4.0801 8.0766 120.5124 54.9885 18.3778 177.1593 9 S 4.8137 7.4346 109.6167 57.0243 64.4307 173.3205 10 V 4.5867 8.1007 111.2267 60.1210 34.4449 173.3755 11 C 5.0678 8.2808 114.8225 54.4709 38.8249 173.3933 12 S 4.7979 9.1858 115.8017 56.6082 64.4337 175.3058 13 L 3.9685 8.2089 120.5179 58.1211 41.1329 179.4408 14 Y 4.2204 7.6273 116.3139 61.2099 37.8774 178.3821 15 Q 4.1254 8.1063 118.5547 58.9400 28.7891 178.7824 16 L 4.3427 7.7491 119.4737 57.6494 41.4887 179.1072 17 E 4.1185 8.0606 117.8545 58.7432 29.1193 178.4506 18 N 4.3929 7.9597 115.5271 54.8767 38.6246 175.0683 19 Y 4.5479 7.4719 116.5808 57.7098 38.6095 175.6935 20 C 4.4698 7.5661 118.2874 59.2778 29.0749 173.5314 21 N 4.5455 8.5918 118.4826 53.7419 38.2193 175.2785 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 3.96 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 0.00 0.00 0.00 2 I 8.30 3.30 0.76 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.04 0.65 0.00 0.00 3 V 8.42 3.53 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 1.07 0.00 0.00 0.87 0.00 0.00 4 E 8.14 3.95 0.00 2.25 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 7.95 4.15 0.00 2.20 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.56 0.00 6 C 8.52 4.65 0.00 2.94 3.11 0.00 0.00 0.00 0.00 0.00 0.00 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 7.97 4.35 0.00 2.88 3.11 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.08 4.08 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.43 4.81 0.00 3.85 3.96 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 10 V 8.10 4.59 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.94 0.00 0.00 11 C 8.28 5.07 0.00 3.25 3.24 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 0.00 12 S 9.19 4.80 0.00 4.05 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 8.21 3.97 0.00 1.31 1.56 0.79 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 7.63 4.22 0.00 3.05 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 15 Q 8.11 4.13 0.00 2.40 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.79 0.00 0.00 0.00 0.00 0.00 2.44 2.49 0.00 16 L 7.75 4.34 0.00 1.93 1.80 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.06 4.12 0.00 2.30 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 2.36 2.55 0.00 18 N 7.96 4.39 0.00 2.28 2.37 0.00 0.00 6.87 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 Y 7.47 4.55 0.00 3.13 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 7.57 4.47 0.00 2.93 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 8.59 4.55 0.00 2.73 2.74 0.00 0.00 6.81 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