NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 4.0198 8.2127 109.7512 45.0149 0.0000 174.4481 2 I 3.0132 7.9468 119.4760 62.7977 37.4735 172.9290 3 V 3.4639 8.3291 120.0059 66.1087 31.7366 177.2763 4 E 3.9640 7.9989 116.4576 59.3072 29.4096 178.8961 5 Q 4.1133 8.3289 119.5319 59.1753 29.1283 176.6967 6 C 5.1591 8.1650 115.3361 56.5870 40.7182 174.1852 7 C 4.2371 7.7628 118.8903 61.5971 28.6155 175.1616 8 T 4.1904 7.8925 108.9293 63.1205 69.4281 174.7486 9 S 4.7919 7.4798 112.3063 55.8580 66.1104 172.8764 10 I 4.4376 8.1145 114.5751 60.1076 38.8752 175.7306 11 C 5.6888 8.6682 119.0397 54.7305 43.3818 174.5363 12 S 4.6099 8.4640 118.1139 57.2876 65.5672 175.0722 13 L 3.8067 8.1556 122.6451 58.3276 41.4268 178.3442 14 Y 3.9026 7.1305 115.3205 61.1998 38.0596 178.1808 15 Q 4.2101 8.1883 118.7873 58.9703 28.8085 178.7874 16 L 4.2987 8.3228 120.2210 57.6900 41.7708 179.2102 17 E 4.0451 8.3319 118.4250 59.0314 29.0651 178.8430 18 N 4.2430 7.6810 116.1148 55.7625 38.5567 175.7189 19 Y 4.5330 7.5912 115.4778 57.2539 38.6389 175.4809 20 C 4.5161 7.3707 118.0022 58.8406 29.2422 173.4885 21 N 4.5357 8.5294 117.1497 53.8443 38.1171 175.4385 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 4.02 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 0.00 0.00 0.00 2 I 7.95 3.01 0.56 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.45 0.63 0.00 0.00 3 V 8.33 3.46 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 0.98 0.00 0.00 0.87 0.00 0.00 4 E 8.00 3.96 0.00 1.97 2.01 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 2.32 2.43 0.00 5 Q 8.33 4.11 0.00 2.24 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.75 0.00 0.00 0.00 0.00 0.00 2.48 2.53 0.00 6 C 8.16 5.16 0.00 2.98 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 7.76 4.24 0.00 3.10 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 7.89 4.19 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 7.48 4.79 0.00 4.05 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 I 8.11 4.44 1.88 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 1.43 0.65 0.92 0.00 0.00 11 C 8.67 5.69 0.00 2.99 3.09 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 0.00 0.00 0.00 0.00 12 S 8.46 4.61 0.00 4.26 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 8.16 3.81 0.00 1.55 1.25 0.76 0.36 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 7.13 3.90 0.00 3.15 3.13 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 15 Q 8.19 4.21 0.00 2.34 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.81 0.00 0.00 0.00 0.00 0.00 2.44 2.49 0.00 16 L 8.32 4.30 0.00 1.82 1.76 0.94 0.93 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 17 E 8.33 4.05 0.00 2.19 2.00 0.00 0.00 0.00 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 2.40 0.00 18 N 7.68 4.24 0.00 2.41 2.42 0.00 0.00 6.94 7.35 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 19 Y 7.59 4.53 0.00 3.07 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.37 4.52 0.00 3.01 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 8.53 4.54 0.00 2.72 2.74 0.00 0.00 6.76 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