NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2761 8.4145 122.1380 53.9378 33.4704 176.1214 2 E 4.0720 8.4539 116.5296 54.5539 30.3590 175.3365 3 P 4.2053 0.0000 0.0000 63.0488 32.8840 176.5944 4 D 4.5155 7.9029 121.1277 52.7223 39.5635 174.9534 5 Y 4.3003 7.4349 119.3136 57.1426 38.9162 176.3951 6 L 4.0297 8.6056 125.9032 55.1448 43.0433 176.6692 7 D 4.8662 8.4432 124.6591 51.4832 40.9912 176.7818 8 I 3.7425 8.3102 126.5825 63.9934 37.3575 176.1823 9 P 4.2723 0.0000 0.0000 65.8169 31.1175 178.4660 10 A 4.0181 8.4933 119.2620 55.0273 18.3240 179.1199 11 F 3.9200 8.1506 118.7753 61.8172 39.2834 177.5329 12 L 4.0896 8.3328 118.2654 57.5142 41.1348 179.7163 13 R 3.8867 7.5408 117.0633 59.3034 30.4593 178.8330 14 K 4.1302 8.2692 118.6049 59.3309 31.7249 179.1183 15 Q 3.8159 7.5699 118.6276 59.1556 29.2102 178.0170 16 A 4.1709 8.1257 119.4937 53.3698 18.4520 176.9456 17 D 4.4744 7.4416 121.3841 53.1573 39.6286 176.2040 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 K 8.41 4.28 0.00 1.79 1.67 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.01 7.81 2 E 8.45 4.07 0.00 2.06 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 1.96 0.00 3 P 0.00 4.21 0.00 0.80 1.62 0.00 3.46 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.92 0.00 4 D 7.90 4.52 0.00 2.53 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.43 4.30 0.00 3.03 2.83 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.61 4.03 0.00 1.57 1.56 0.91 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 7 D 8.44 4.87 0.00 2.91 2.83 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.31 3.74 1.89 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.88 0.95 0.00 0.00 9 P 0.00 4.27 0.00 2.32 2.14 0.00 3.77 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.20 0.00 10 A 8.49 4.02 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 11 F 8.15 3.92 0.00 3.33 3.31 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.33 4.09 0.00 1.91 1.73 0.97 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 13 R 7.54 3.89 0.00 1.97 1.98 0.00 3.18 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.98 0.00 14 K 8.27 4.13 0.00 1.67 1.68 0.00 1.57 0.00 0.00 1.48 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.53 7.81 15 Q 7.57 3.82 0.00 1.91 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.93 0.00 0.00 0.00 0.00 0.00 2.32 2.32 0.00 16 A 8.13 4.17 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 D 7.44 4.47 0.00 2.86 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00