NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4206 8.1885 116.7976 58.0437 64.7033 174.3547 2 A 3.8319 8.5325 123.9901 55.0644 18.0591 178.4610 3 A 4.2008 8.8358 119.3984 54.4941 18.6878 177.2755 4 E 4.0601 8.2666 116.6226 57.9376 29.6101 178.1228 5 A 4.2953 7.8014 119.4153 54.7251 19.8448 177.6749 6 Y 4.1886 8.4178 118.6762 59.3118 38.8561 177.0523 7 A 3.3557 8.1166 120.7479 55.1882 18.1821 179.1205 8 K 3.6818 7.3572 114.6124 60.3028 32.0773 178.6075 9 R 3.8703 7.9520 117.3333 60.1068 30.0557 178.7630 10 I 3.2638 7.5296 116.5642 64.4285 36.8981 177.6594 11 A 3.9077 8.0456 123.2898 55.7689 18.7366 179.2579 12 E 3.9443 7.8073 115.9561 59.5030 29.3805 179.3247 13 A 4.0233 8.0809 120.8467 55.2339 18.3832 178.3374 14 M 4.4546 7.9614 116.0530 55.8170 32.3102 176.0441 15 A 4.3373 8.1329 120.2896 51.9198 21.5988 177.8405 16 K 3.7754 7.6899 115.0656 57.4101 30.9044 175.0094 17 G 3.7459 7.7988 111.5080 45.7254 0.0000 172.9471 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 S 8.19 4.42 0.00 3.92 3.87 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 2 A 8.53 3.83 1.35 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 0.00 0.00 0.00 0.00 0.00 0.00 3 A 8.84 4.20 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 E 8.27 4.06 0.00 2.25 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 2.47 0.00 5 A 7.80 4.30 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 Y 8.42 4.19 0.00 3.10 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 7 A 8.12 3.36 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.36 3.68 0.00 2.14 1.81 0.00 1.52 0.00 0.00 1.86 0.00 0.00 3.07 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.54 7.81 9 R 7.95 3.87 0.00 1.82 1.90 0.00 3.22 0.00 0.00 3.15 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.83 0.00 10 I 7.53 3.26 1.68 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 -0.27 0.81 0.00 0.00 11 A 8.05 3.91 1.34 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 0.00 0.00 0.00 0.00 0.00 0.00 12 E 7.81 3.94 0.00 2.22 1.95 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 2.30 2.30 0.00 13 A 8.08 4.02 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 M 7.96 4.45 0.00 1.95 2.20 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.52 0.00 15 A 8.13 4.34 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 K 7.69 3.78 0.00 1.79 1.80 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.34 1.41 7.81 17 G 7.80 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 0.00 0.00 0.00