NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 E 4.3793 8.3033 121.4781 56.2567 31.7612 177.9097 2 L 3.9984 7.8835 118.5554 56.0184 41.5987 177.7093 3 D 4.5594 8.9933 120.0338 56.4922 39.6797 178.4666 4 K 4.0551 8.0004 119.4581 58.7344 32.2191 178.7619 5 W 3.9925 8.4061 128.5617 60.5757 30.6213 177.9093 6 A 4.0563 8.8232 120.9819 55.2624 17.7792 179.7169 7 S 4.1365 8.2276 113.6715 61.9150 62.8608 177.0392 8 L 4.0433 7.9326 121.5994 57.1898 41.3439 179.3616 9 W 4.2785 7.9188 128.5482 60.4991 30.4949 177.6486 10 N 4.0783 8.5937 117.5267 56.2911 38.3053 176.7060 11 W 4.0561 8.5343 130.0628 60.2567 30.6826 177.7952 12 F 4.4592 8.8590 120.8913 61.6219 38.9383 176.9468 13 N 3.6143 7.6534 115.9889 55.8896 38.1113 177.5477 14 I 3.6251 7.7236 121.7563 64.5538 37.2301 178.6472 15 T 3.4380 7.6579 110.9605 64.5107 68.4851 176.1033 16 N 4.3682 8.1089 120.2223 56.0303 38.9459 176.4956 17 W 4.2417 8.1608 129.7211 60.6935 30.9217 177.8619 18 L 3.3634 8.0207 118.8561 57.4772 40.8576 179.6853 19 W 4.3620 7.9841 118.8647 59.6516 28.9095 177.6934 20 Y 4.1289 8.0803 119.6446 60.8746 38.3049 178.0273 21 I 3.2017 7.1162 120.2251 64.3860 37.3369 178.1130 22 K 3.7511 7.5455 118.4363 59.9674 31.9341 179.5138 23 I 3.7617 8.0063 119.7460 64.1734 36.9164 178.4925 24 E 3.7704 7.8333 119.6976 59.2542 29.2307 179.0431 25 E 3.8796 7.8622 118.3738 59.5154 29.5542 179.5100 26 L 3.9869 7.7689 118.5976 57.6553 41.6309 179.7523 27 K 3.9645 8.2565 118.6557 59.4447 31.9908 179.3521 28 S 4.1089 7.9822 115.4431 61.8075 62.7997 177.1250 29 K 4.0135 7.9007 120.8653 59.3873 31.6776 179.6348 30 I 3.7208 7.8188 120.1576 64.2342 37.0119 178.5307 31 K 4.0610 8.1413 119.3549 59.5665 31.9053 179.4429 32 R 3.9093 8.0096 118.1699 59.3499 29.9284 179.1146 33 I 3.6935 7.7348 119.3383 64.5839 37.0865 178.4124 34 E 3.9594 8.3694 119.4457 59.4384 29.2390 179.2685 35 N 4.3378 8.3784 116.6911 56.0794 38.6139 177.0343 36 E 3.8892 8.2182 120.6943 59.3745 29.7981 178.7545 37 I 3.6861 7.9047 119.9041 64.6208 37.3511 178.5157 38 K 3.9672 8.4094 119.4110 59.3268 31.5527 179.4884 39 R 3.8696 7.6940 118.3092 59.5516 30.1685 178.2987 40 I 3.8476 7.5310 118.2386 64.3658 37.1760 178.3102 41 K 4.1824 7.9164 118.1423 58.2918 32.0157 177.7759 42 K 4.2504 7.7734 123.1228 57.3103 32.5661 176.4605 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 E 8.30 4.38 0.00 2.04 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 2.34 2.38 0.00 2 L 7.88 4.00 0.00 1.86 1.79 0.91 0.58 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 3 D 8.99 4.56 0.00 2.93 2.99 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 K 8.00 4.06 0.00 1.98 1.93 0.00 1.72 0.00 0.00 1.77 0.00 0.00 2.92 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.58 1.48 7.81 5 W 8.41 3.99 0.00 3.55 3.58 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.82 4.06 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 S 8.23 4.14 0.00 4.05 3.96 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.93 4.04 0.00 1.78 1.65 0.86 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 9 W 7.92 4.28 0.00 2.33 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.59 4.08 0.00 2.89 3.04 0.00 0.00 6.90 7.51 0.00 0.00 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 W 8.53 4.06 0.00 3.45 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 12 F 8.86 4.46 0.00 3.42 3.44 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.65 3.61 0.00 2.26 2.36 0.00 0.00 7.09 6.73 0.00 0.00 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 I 7.72 3.63 1.67 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.57 0.83 0.00 0.00 15 T 7.66 3.44 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 16 N 8.11 4.37 0.00 2.54 2.49 0.00 0.00 6.84 8.81 0.00 0.00 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 W 8.16 4.24 0.00 3.36 3.33 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.02 3.36 0.00 1.38 1.17 0.68 0.71 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 19 W 7.98 4.36 0.00 3.47 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 20 Y 8.08 4.13 0.00 3.18 3.12 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.12 3.20 1.47 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 -0.00 0.59 0.00 0.00 22 K 7.55 3.75 0.00 2.05 1.98 0.00 1.63 0.00 0.00 1.56 0.00 0.00 2.79 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.35 1.52 7.81 23 I 8.01 3.76 1.84 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 1.74 0.87 0.88 0.00 0.00 24 E 7.83 3.77 0.00 1.80 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.66 0.00 25 E 7.86 3.88 0.00 2.09 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.51 0.00 26 L 7.77 3.99 0.00 1.82 1.69 0.92 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 27 K 8.26 3.96 0.00 2.01 1.82 0.00 1.67 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.45 7.81 28 S 7.98 4.11 0.00 4.03 3.89 0.00 0.00 0.00 0.00 0.00 0.00 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 7.90 4.01 0.00 1.97 1.83 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.63 7.81 30 I 7.82 3.72 1.96 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.85 0.90 0.00 0.00 31 K 8.14 4.06 0.00 1.92 1.85 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.69 7.81 32 R 8.01 3.91 0.00 2.05 1.97 0.00 3.12 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.79 0.00 33 I 7.73 3.69 2.04 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.74 0.90 0.00 0.00 34 E 8.37 3.96 0.00 2.14 1.99 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 2.32 2.46 0.00 35 N 8.38 4.34 0.00 2.92 2.85 0.00 0.00 6.64 7.17 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 36 E 8.22 3.89 0.00 2.13 2.13 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 2.30 2.39 0.00 37 I 7.90 3.69 1.99 0.00 0.00 0.85 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 0.82 0.91 0.00 0.00 38 K 8.41 3.97 0.00 1.77 1.86 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.46 1.58 7.81 39 R 7.69 3.87 0.00 1.95 2.06 0.00 3.26 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 40 I 7.53 3.85 1.99 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 0.64 0.91 0.00 0.00 41 K 7.92 4.18 0.00 1.82 1.86 0.00 1.71 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.47 1.53 7.81 42 K 7.77 4.25 0.00 1.94 1.86 0.00 1.63 0.00 0.00 1.78 0.00 0.00 3.05 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.74 1.40 7.81