NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.1463 8.3149 119.9972 57.7200 34.3706 175.1678 2 I 3.1018 8.3384 119.8303 60.9618 34.4512 172.8044 3 S 4.2812 7.9152 118.3865 60.7188 64.5848 174.9636 4 S 4.8218 7.6111 114.6929 54.3466 66.0293 172.9224 5 P 4.3923 0.0000 0.0000 65.9581 31.2118 178.6690 6 T 4.0980 7.8533 110.8144 64.2039 68.5648 176.0167 7 E 3.9620 7.8542 119.9192 59.6241 29.5304 179.4611 8 T 3.9151 7.8500 115.2217 66.6537 68.0373 176.4027 9 E 4.0079 8.2247 120.5562 59.5416 29.3392 179.6651 10 R 4.0587 8.0230 118.0704 58.9739 29.8498 178.6356 11 C 4.3199 7.8476 115.3010 60.2107 29.9030 176.1581 12 I 3.7937 7.8672 122.4818 64.2624 36.8460 178.0388 13 E 4.0104 8.2275 119.6923 59.3872 28.7344 179.6430 14 S 4.1404 7.9469 114.1290 61.4841 62.8768 176.5897 15 L 4.0344 7.4662 121.5011 57.4509 41.3713 179.2971 16 I 3.8604 7.5270 118.7045 64.1252 37.1709 176.5140 17 A 4.2893 7.7955 124.8572 52.3784 18.3756 176.9730 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 8.31 4.15 0.00 1.88 1.88 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.30 1.41 7.81 2 I 8.34 3.10 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.06 0.91 0.00 0.00 3 S 7.92 4.28 0.00 3.97 3.99 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 0.00 0.00 0.00 4 S 7.61 4.82 0.00 3.96 3.95 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 0.00 0.00 0.00 5 P 0.00 4.39 0.00 2.42 2.35 0.00 3.70 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.02 0.00 6 T 7.85 4.10 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 7 E 7.85 3.96 0.00 2.21 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 2.33 2.50 0.00 8 T 7.85 3.92 4.31 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 1.21 0.00 0.00 9 E 8.22 4.01 0.00 2.23 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 10 R 8.02 4.06 0.00 2.12 1.97 0.00 3.28 0.00 0.00 3.22 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.77 0.00 11 C 7.85 4.32 0.00 3.18 3.18 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.87 3.79 2.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.23 0.91 0.00 0.00 13 E 8.23 4.01 0.00 2.14 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 2.33 2.39 0.00 14 S 7.95 4.14 0.00 4.01 4.17 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.47 4.03 0.00 1.80 1.77 0.95 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 16 I 7.53 3.86 2.05 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.56 0.91 0.00 0.00 17 A 7.80 4.29 1.31 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 0.00 0.00