NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 L 4.2785 8.0427 122.4908 54.8910 44.2630 178.5175 4 K 3.7572 7.9950 119.2948 58.5019 31.9553 176.9162 5 Q 3.9336 8.2133 119.9044 58.8805 29.3961 177.6517 6 V 3.5107 7.6775 118.5766 66.0266 31.6180 177.5573 7 A 4.0026 8.1063 120.4398 55.4538 18.3105 179.2893 8 D 4.2918 8.4256 117.5914 57.3328 40.8613 179.0790 9 K 3.9639 8.0410 120.1504 59.4690 32.1988 178.8920 10 L 4.0025 8.2914 119.7185 57.9828 41.5592 179.4554 11 E 3.9985 8.5226 118.6871 59.1894 29.4175 179.0519 12 E 3.9668 8.0059 119.2067 59.1276 29.6215 179.0795 13 V 3.5443 7.9916 118.1632 65.8098 31.5492 177.6344 14 A 3.8052 8.1265 120.6935 55.5163 18.1941 179.8100 15 S 4.3279 8.2368 113.3747 61.7939 62.8009 177.1422 16 K 4.0641 8.0613 120.9928 59.3488 31.6730 179.4342 17 L 3.9278 8.1332 119.5131 57.8897 41.4551 179.0749 18 Y 4.2319 7.9380 116.8125 61.3848 37.8669 178.1601 19 H 4.1522 8.4025 119.0061 59.5012 29.9973 176.9868 20 N 4.7890 8.7976 119.5553 55.7459 38.3216 177.1456 21 A 4.0180 8.3473 122.4947 55.4080 18.4680 179.4971 22 N 4.3006 8.4320 114.9948 56.3153 38.5099 177.4357 23 E 3.8976 8.1560 119.9760 59.5692 29.5421 179.4901 24 L 3.9903 8.0405 118.5918 57.7286 41.7528 179.4361 25 A 4.0114 8.2294 120.8299 55.2582 18.2291 179.9614 26 R 3.9232 8.0318 116.6553 59.2059 30.1000 179.4062 27 V 3.5513 8.0682 118.0768 65.7740 31.6282 177.7921 28 A 3.9656 8.3362 121.0064 55.1544 18.3350 179.4983 29 K 3.8653 7.9608 117.7400 59.5604 32.0487 178.6550 30 L 4.0147 7.8066 119.5839 58.1654 42.0990 178.5284 31 L 4.3448 8.0523 117.2071 56.5478 41.8225 178.9707 32 G 3.7898 7.7819 105.4898 46.2682 0.0000 173.4318 33 E 4.2880 7.6752 122.0511 56.2579 29.7276 175.4947 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 3 L 8.04 4.28 0.00 1.74 1.73 0.92 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 4 K 7.99 3.76 0.00 1.99 1.79 0.00 1.66 0.00 0.00 1.78 0.00 0.00 3.04 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.51 1.62 7.81 5 Q 8.21 3.93 0.00 2.16 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.68 0.00 0.00 0.00 0.00 0.00 2.43 2.41 0.00 6 V 7.68 3.51 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.93 0.00 0.00 7 A 8.11 4.00 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 8 D 8.43 4.29 0.00 2.90 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.04 3.96 0.00 2.06 1.88 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.48 7.81 10 L 8.29 4.00 0.00 2.00 1.70 0.94 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 11 E 8.52 4.00 0.00 2.12 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.48 0.00 12 E 8.01 3.97 0.00 2.24 2.09 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 2.31 2.32 0.00 13 V 7.99 3.54 2.06 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 1.00 0.00 0.00 0.99 0.00 0.00 14 A 8.13 3.81 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.24 4.33 0.00 4.10 4.01 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 0.00 0.00 0.00 16 K 8.06 4.06 0.00 2.00 1.87 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.70 7.81 17 L 8.13 3.93 0.00 1.59 1.52 0.81 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 18 Y 7.94 4.23 0.00 3.22 2.94 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.40 4.15 0.00 3.31 3.52 0.00 5.79 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 N 8.80 4.79 0.00 2.92 2.85 0.00 0.00 6.43 7.82 0.00 0.00 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 A 8.35 4.02 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 N 8.43 4.30 0.00 2.88 2.87 0.00 0.00 7.06 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 E 8.16 3.90 0.00 2.17 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.44 0.00 24 L 8.04 3.99 0.00 1.86 1.71 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 25 A 8.23 4.01 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 R 8.03 3.92 0.00 2.02 1.98 0.00 3.13 0.00 0.00 3.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.77 0.00 27 V 8.07 3.55 2.08 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 1.08 0.00 0.00 0.99 0.00 0.00 28 A 8.34 3.97 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 K 7.96 3.87 0.00 2.02 1.99 0.00 1.53 0.00 0.00 1.57 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.49 7.81 30 L 7.81 4.01 0.00 1.75 1.93 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 31 L 8.05 4.34 0.00 1.65 1.70 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 32 G 7.78 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 E 7.68 4.29 0.00 2.13 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.46 0.00