NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.1235 8.2544 120.8628 56.5419 30.6448 170.8517 2 R 2.6631 8.1546 133.0776 55.8380 30.9026 174.4333 3 W 3.3131 9.1092 119.1790 58.4226 26.7570 169.7859 4 C 4.6962 7.9750 125.2908 55.6275 40.2213 173.2526 5 F 4.3036 9.2449 121.8923 58.8137 39.5441 173.9789 6 R 4.2905 8.4159 125.3735 55.5837 28.7653 175.6861 7 V 4.3256 8.1119 124.9101 62.0846 33.6940 173.5873 8 C 5.1807 8.9239 125.9428 56.6879 40.9183 173.6594 9 Y 4.2635 9.1398 129.2062 57.7162 38.7383 175.0755 10 R 3.8713 8.3056 111.8240 55.4039 27.8933 178.0168 11 G 4.6226 7.3931 116.7651 46.2423 0.0000 173.2497 12 F 4.9314 7.7783 119.4413 55.4450 42.4924 174.5801 13 C 5.5515 9.1514 123.6227 55.1082 41.0447 173.0567 14 Y 4.2244 9.0315 123.9325 57.7695 39.4173 174.7339 15 R 5.0876 7.7319 111.4096 55.6858 30.2368 171.7625 16 K 4.6065 8.0494 125.7900 55.5778 35.5354 175.1034 17 C 5.0024 8.9109 125.4800 56.3534 41.4532 174.0582 18 R 4.1457 8.3236 121.9807 57.2708 29.7537 173.8724 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 R 8.25 4.12 0.00 1.83 1.94 0.00 3.36 0.00 0.00 3.25 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.64 0.00 2 R 8.15 2.66 0.00 1.65 1.44 0.00 2.81 0.00 0.00 2.78 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 3 W 9.11 3.31 0.00 3.57 2.98 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.97 4.70 0.00 3.16 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 5 F 9.24 4.30 0.00 3.08 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.42 4.29 0.00 2.03 2.04 0.00 3.13 0.00 0.00 3.87 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 7 V 8.11 4.33 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 1.09 0.00 0.00 8 C 8.92 5.18 0.00 3.07 3.08 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 0.00 0.00 0.00 9 Y 9.14 4.26 0.00 3.11 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 10 R 8.31 3.87 0.00 2.01 1.98 0.00 3.31 0.00 0.00 3.18 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.49 0.00 11 G 7.39 4.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.78 4.93 0.00 3.09 2.90 0.00 0.00 0.00 0.00 0.00 0.00 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 C 9.15 5.55 0.00 3.07 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 14 Y 9.03 4.22 0.00 3.09 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 15 R 7.73 5.09 0.00 1.82 1.97 0.00 3.30 0.00 0.00 3.01 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.45 0.00 16 K 8.05 4.61 0.00 2.02 1.92 0.00 1.80 0.00 0.00 1.93 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.44 7.81 17 C 8.91 5.00 0.00 2.96 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 18 R 8.32 4.15 0.00 1.80 1.83 0.00 3.31 0.00 0.00 3.34 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.53 0.00