NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.4672 8.1744 115.5076 61.9440 67.9375 171.8675 3 I 4.4186 8.7014 127.6543 57.7699 41.4723 171.8039 4 Q 5.1081 9.4516 130.2687 54.3942 31.1499 173.9766 5 L 4.8773 9.3052 126.5688 53.2405 45.6136 175.4133 6 T 4.7793 8.3898 119.1186 62.4101 70.6656 174.0634 7 V 4.7658 8.6134 126.8179 59.9681 31.2248 173.9936 8 P 4.3079 0.0000 0.0000 64.6564 31.6836 177.4453 9 T 4.3746 7.7506 105.8473 61.2236 69.4400 174.8642 10 I 3.7553 7.4433 116.7701 61.1545 37.9362 175.6952 11 A 4.6266 8.4849 125.1750 52.1783 21.1914 174.7167 12 C 4.6595 7.6735 111.2704 56.5662 32.6670 175.2358 13 E 3.9857 8.8442 118.2185 61.1984 29.0090 176.5769 14 A 4.1862 8.0576 120.7871 55.5203 18.2824 179.4434 15 C 4.1189 8.0442 114.7851 62.7764 28.2003 176.1161 16 A 3.9461 7.9094 121.9847 55.0409 17.9494 179.1525 17 E 3.8469 8.4700 117.7864 59.4120 29.7895 178.8884 18 A 3.9778 8.1590 120.9217 55.1167 18.4060 179.8445 19 V 3.5489 8.1036 117.0032 66.3658 31.5708 178.4030 20 T 3.8278 7.9690 115.4829 66.5899 68.3504 176.5483 21 K 3.9065 8.3805 121.5696 59.4812 31.9863 178.7244 22 A 4.0323 7.8923 120.1932 54.9238 18.4891 179.5905 23 V 3.6924 7.8273 116.9398 66.3263 31.8081 178.4260 24 Q 4.8474 8.2314 116.8223 58.1961 28.7173 177.5627 25 N 4.6516 8.1475 113.6478 54.5540 38.5951 175.2659 26 E 4.5197 7.8214 116.9139 55.0272 30.5630 175.4841 27 D 4.5334 7.4987 115.4720 53.7991 43.7244 176.6789 28 A 4.1926 8.6627 130.4257 54.5080 18.7054 178.0418 29 Q 4.2919 8.0048 112.3217 55.9357 29.2714 175.8115 30 A 4.2629 7.5179 120.9624 52.5310 19.1855 177.2755 31 T 4.4862 8.8102 118.8384 62.1470 70.5148 174.1731 32 V 4.6691 8.3418 125.5375 61.2629 34.5196 174.3724 33 Q 4.8157 8.6748 126.1687 54.1550 32.5677 174.9607 34 V 4.6252 8.1572 121.1174 61.5673 34.5953 173.5916 35 D 4.8017 8.6149 128.2600 52.7295 41.9451 177.3107 36 L 4.0921 8.6918 126.3649 57.5950 42.2896 178.8026 37 T 4.1049 8.1014 115.0665 66.3313 68.6348 176.0531 38 S 4.2469 8.8542 114.1514 58.5753 63.7080 174.9731 39 K 3.8888 8.2909 119.4461 56.9680 30.2063 174.5257 40 K 4.8056 7.6664 119.0267 55.2941 33.9342 175.7868 41 V 4.8109 9.2733 125.4439 61.4225 34.1613 174.1075 42 T 4.9294 8.5843 124.6519 61.9195 71.1920 173.3688 43 I 4.6552 8.9958 128.2561 59.9503 39.5863 175.1640 44 T 4.6707 8.3494 126.0315 62.7435 68.5870 173.9126 45 S 4.8181 8.3821 119.0884 56.5766 64.9425 173.9711 46 A 4.0663 8.2063 128.9497 55.0805 18.3443 178.4965 47 L 4.2316 7.7587 115.0750 54.3550 42.6984 177.8241 48 G 3.9666 8.9556 109.2226 43.7244 0.0000 174.5136 49 E 3.9784 8.5235 119.3434 59.1982 29.3928 178.1977 50 E 4.0564 8.1078 118.8363 58.8144 29.7665 178.6348 51 Q 3.9991 7.9721 117.9744 58.8881 28.9713 178.0234 52 L 3.9864 7.7709 119.5981 58.0668 41.5872 180.0109 53 R 3.9533 7.9045 117.3103 59.5631 30.1670 179.2441 54 T 3.8604 7.7168 115.3476 66.4352 68.1846 176.6382 55 A 4.0097 7.9448 121.8453 55.3641 18.7898 179.5281 56 I 3.8155 7.9342 118.0774 64.3300 37.2051 178.5249 57 A 4.3699 8.5404 123.4836 54.4807 17.9618 179.5395 58 S 4.2508 7.8186 110.9302 60.4288 63.3432 175.4233 59 A 4.4772 7.6256 123.0040 51.9381 18.7086 177.6544 60 G 3.8588 8.0220 105.9466 45.4710 0.0000 173.1475 61 H 4.8795 7.8824 116.5307 53.3159 31.4512 173.3549 62 E 4.2215 8.6723 121.8512 55.8576 30.5420 175.9537 63 V 4.4759 7.9259 119.8210 60.8097 33.7168 175.3880 64 E 4.1561 8.8036 125.6811 56.8216 29.1739 176.7036 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 2 T 8.17 4.47 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 3 I 8.70 4.42 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 1.11 1.23 0.91 0.00 0.00 4 Q 9.45 5.11 0.00 2.08 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.47 0.00 0.00 0.00 0.00 0.00 2.24 2.35 0.00 5 L 9.31 4.88 0.00 1.55 1.50 0.92 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 6 T 8.39 4.78 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 1.28 0.00 0.00 7 V 8.61 4.77 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 0.99 0.00 0.00 0.92 0.00 0.00 8 P 0.00 4.31 0.00 2.09 2.11 0.00 3.83 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 2.03 2.08 0.00 9 T 7.75 4.37 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 10 I 7.44 3.76 1.78 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.56 0.68 0.00 0.00 11 A 8.48 4.63 1.27 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 0.00 0.00 0.00 0.00 0.00 0.00 12 C 7.67 4.66 0.00 3.07 3.02 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.84 3.99 0.00 2.00 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 1.95 0.00 14 A 8.06 4.19 1.33 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 0.00 0.00 15 C 8.04 4.12 0.00 3.15 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 16 A 7.91 3.95 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.47 3.85 0.00 2.13 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 2.33 0.00 18 A 8.16 3.98 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 19 V 8.10 3.55 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.95 0.00 0.00 20 T 7.97 3.83 4.36 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 1.21 0.00 0.00 21 K 8.38 3.91 0.00 1.87 1.80 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.46 7.81 22 A 7.89 4.03 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 23 V 7.83 3.69 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 1.00 0.00 0.00 24 Q 8.23 4.85 0.00 2.24 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.15 6.66 0.00 0.00 0.00 0.00 0.00 2.51 2.29 0.00 25 N 8.15 4.65 0.00 2.71 2.86 0.00 0.00 6.78 6.94 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 26 E 7.82 4.52 0.00 2.03 1.91 0.00 0.00 0.00 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 2.34 0.00 27 D 7.50 4.53 0.00 2.67 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 28 A 8.66 4.19 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.00 4.29 0.00 2.05 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.87 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 30 A 7.52 4.26 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 T 8.81 4.49 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 32 V 8.34 4.67 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 0.81 0.00 0.00 0.93 0.00 0.00 33 Q 8.67 4.82 0.00 1.95 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.53 0.00 0.00 0.00 0.00 0.00 2.25 2.25 0.00 34 V 8.16 4.63 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.92 0.00 0.00 35 D 8.61 4.80 0.00 2.87 2.51 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 0.00 0.00 0.00 0.00 36 L 8.69 4.09 0.00 1.67 1.71 0.91 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 37 T 8.10 4.10 4.33 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 1.21 0.00 0.00 38 S 8.85 4.25 0.00 3.92 4.06 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 39 K 8.29 3.89 0.00 1.98 2.14 0.00 1.74 0.00 0.00 1.77 0.00 0.00 2.87 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.34 1.54 7.81 40 K 7.67 4.81 0.00 1.63 1.71 0.00 1.81 0.00 0.00 1.57 0.00 0.00 2.82 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.51 7.81 41 V 9.27 4.81 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 0.97 0.00 0.00 0.91 0.00 0.00 42 T 8.58 4.93 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 43 I 9.00 4.66 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 1.23 0.61 0.91 0.00 0.00 44 T 8.35 4.67 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 45 S 8.38 4.82 0.00 3.83 3.67 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 46 A 8.21 4.07 1.33 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 0.00 0.00 47 L 7.76 4.23 0.00 1.66 1.61 0.95 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 48 G 8.96 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.52 3.98 0.00 2.05 1.95 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 2.38 2.36 0.00 50 E 8.11 4.06 0.00 2.12 1.92 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 2.37 2.45 0.00 51 Q 7.97 4.00 0.00 2.14 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.63 0.00 0.00 0.00 0.00 0.00 2.45 2.45 0.00 52 L 7.77 3.99 0.00 1.92 1.73 0.92 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 53 R 7.90 3.95 0.00 2.03 1.97 0.00 3.13 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 54 T 7.72 3.86 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 55 A 7.94 4.01 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 56 I 7.93 3.82 1.88 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 1.46 1.00 1.00 0.00 0.00 57 A 8.54 4.37 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 58 S 7.82 4.25 0.00 4.08 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 59 A 7.63 4.48 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 60 G 8.02 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 H 7.88 4.88 0.00 3.17 3.18 0.00 5.62 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 E 8.67 4.22 0.00 2.07 1.95 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 2.27 2.35 0.00 63 V 7.93 4.48 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 0.90 0.00 0.00 0.94 0.00 0.00 64 E 8.80 4.16 0.00 2.14 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.26 0.00