NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.5790 8.3649 120.3105 52.0322 40.2119 174.1104 2 P 3.1036 0.0000 0.0000 65.4105 31.4243 176.4028 3 C 5.3088 7.8748 112.2908 55.9155 41.8191 175.9651 4 Q 3.7757 8.7821 124.4928 59.0476 28.4273 178.0850 5 K 3.8776 7.9601 119.1239 59.6260 32.2991 178.9304 6 Q 3.9453 8.0283 117.3188 58.9103 28.6402 178.6376 7 A 3.9723 8.2815 121.7371 55.1401 18.4192 179.5206 8 A 3.9244 8.3428 119.5559 55.5511 18.5358 179.8388 9 E 4.0950 8.7860 117.2817 59.2214 29.4244 179.7586 10 I 3.6739 8.3600 120.4661 64.3879 37.2283 178.1668 11 Q 4.0227 8.1694 118.9103 58.9656 28.5460 178.9529 12 K 3.7988 8.3932 120.7207 59.6787 32.0416 177.7423 13 C 4.1693 8.5180 118.7769 59.7359 39.1776 175.4750 14 L 3.9058 8.2632 120.7590 57.8823 40.7546 179.3173 15 Q 3.3479 8.3198 117.9638 58.9831 28.5317 179.1008 16 A 4.2100 7.9471 119.0515 53.6371 18.5187 177.5825 17 N 4.8574 7.2590 114.5446 52.4644 39.6241 174.7868 18 S 3.6215 8.2056 110.7779 59.9674 60.9072 172.6212 19 Y 3.6781 7.9378 113.6846 58.8994 35.8322 171.3987 20 L 4.3119 7.8190 122.6031 53.5425 40.0930 176.7946 21 E 3.9102 8.7658 124.9044 59.3141 29.7950 179.4241 22 S 4.1421 8.1546 113.2146 61.4124 62.9107 175.4273 23 K 4.2413 8.1935 117.8756 57.7372 32.2442 176.6448 24 C 5.0025 8.3546 115.1740 55.9632 38.6355 175.7255 25 Q 3.8617 8.2092 119.9678 59.0220 28.0799 178.3673 26 A 4.2110 8.0441 121.2094 54.9629 18.2719 179.5410 27 V 3.6528 7.9021 116.8850 65.8427 31.7058 178.3687 28 I 3.7252 7.6762 119.2286 64.2212 36.9027 178.0753 29 Q 3.9956 8.6073 119.4385 58.9349 28.5864 178.5794 30 E 3.9011 7.8237 120.2569 59.2269 29.7192 178.5200 31 L 3.9262 8.1644 120.5588 58.1251 42.0437 179.0286 32 K 3.9326 8.5402 118.6537 59.4685 32.0612 179.2468 33 K 3.9421 8.4206 120.2161 59.4305 32.0878 177.8560 34 C 4.2664 8.7926 118.9576 59.7720 43.3492 175.4562 35 A 3.9844 8.2884 120.8834 55.2732 18.0738 179.1705 36 A 4.1109 8.1685 118.3341 55.5445 18.4198 179.5096 37 Q 4.0628 8.0559 116.2585 58.9904 29.0146 176.5475 38 Y 4.2902 8.8471 122.2461 58.3198 38.2091 175.4702 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 D 8.36 4.58 0.00 2.76 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 3.10 0.00 2.06 2.00 0.00 3.61 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.25 0.00 3 C 7.87 5.31 0.00 2.86 2.92 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.78 3.78 0.00 2.18 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.14 6.77 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 5 K 7.96 3.88 0.00 1.78 1.81 0.00 1.70 0.00 0.00 1.77 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.51 1.51 7.81 6 Q 8.03 3.95 0.00 2.26 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.81 0.00 0.00 0.00 0.00 0.00 2.52 2.47 0.00 7 A 8.28 3.97 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 8 A 8.34 3.92 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.79 4.10 0.00 2.02 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 2.32 2.46 0.00 10 I 8.36 3.67 2.11 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 1.53 0.62 0.93 0.00 0.00 11 Q 8.17 4.02 0.00 2.29 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.82 0.00 0.00 0.00 0.00 0.00 2.54 2.56 0.00 12 K 8.39 3.80 0.00 1.97 1.87 0.00 1.63 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.44 7.81 13 C 8.52 4.17 0.00 3.05 3.23 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.26 3.91 0.00 1.92 1.74 0.99 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 15 Q 8.32 3.35 0.00 2.16 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.79 0.00 0.00 0.00 0.00 0.00 2.21 2.51 0.00 16 A 7.95 4.21 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 17 N 7.26 4.86 0.00 2.74 2.72 0.00 0.00 7.16 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 18 S 8.21 3.62 0.00 4.02 3.94 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 Y 7.94 3.68 0.00 3.12 3.04 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 0.00 0.00 0.00 20 L 7.82 4.31 0.00 1.83 1.64 0.92 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 21 E 8.77 3.91 0.00 2.03 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 2.41 2.40 0.00 22 S 8.15 4.14 0.00 3.90 3.94 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 23 K 8.19 4.24 0.00 1.80 1.84 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.51 7.81 24 C 8.35 5.00 0.00 3.02 3.04 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 0.00 0.00 0.00 25 Q 8.21 3.86 0.00 2.22 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.90 0.00 0.00 0.00 0.00 0.00 2.60 2.39 0.00 26 A 8.04 4.21 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 27 V 7.90 3.65 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.95 0.00 0.00 28 I 7.68 3.73 2.01 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.50 0.92 0.00 0.00 29 Q 8.61 4.00 0.00 2.19 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.75 0.00 0.00 0.00 0.00 0.00 2.59 2.52 0.00 30 E 7.82 3.90 0.00 2.14 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 2.31 2.47 0.00 31 L 8.16 3.93 0.00 1.77 1.83 0.90 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 32 K 8.54 3.93 0.00 2.00 1.85 0.00 1.73 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.57 7.81 33 K 8.42 3.94 0.00 1.95 1.82 0.00 1.66 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.46 7.81 34 C 8.79 4.27 0.00 3.06 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 A 8.29 3.98 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 A 8.17 4.11 1.40 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 0.00 0.00 0.00 0.00 0.00 0.00 37 Q 8.06 4.06 0.00 2.49 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 7.05 0.00 0.00 0.00 0.00 0.00 2.42 2.59 0.00 38 Y 8.85 4.29 0.00 2.91 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