NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5363 8.3049 120.3347 55.1586 33.3444 174.9895 2 K 4.2614 8.6027 123.2015 54.8993 33.7348 174.9932 3 K 4.6995 8.9926 121.4690 56.5584 34.9293 175.2076 4 Y 4.8465 9.1862 119.0202 56.6153 42.2696 174.6199 5 T 5.0997 8.7065 119.4530 61.6151 72.0803 173.1836 6 C 3.2080 8.7457 126.8935 59.1237 32.0951 174.0967 7 T 4.1904 8.6639 116.6606 62.3138 69.0671 175.6871 8 V 3.9040 7.5240 122.1358 64.5365 32.0147 175.8909 9 C 4.6746 7.9694 110.5723 56.9978 30.8764 174.7631 10 G 3.9012 8.5072 109.2005 44.8095 0.0000 173.0828 11 Y 4.1985 7.8658 120.9629 58.6295 39.7571 174.8806 12 I 4.7697 7.4745 126.4207 59.6340 39.5334 174.2725 13 Y 4.4346 9.5025 129.6429 56.8088 40.3293 173.3472 14 N 5.0113 7.9308 125.7509 50.9626 40.6704 173.6795 15 P 4.1576 0.0000 0.0000 65.4008 31.9311 178.4188 16 E 4.0691 8.6447 118.8889 58.8629 29.4117 177.5611 17 D 4.5169 7.9099 116.5568 53.4899 42.2732 178.0958 18 G 4.2522 7.6826 107.3751 45.3397 0.0000 173.1581 19 D 4.9967 8.6099 111.9139 52.0879 41.5162 175.2824 20 P 4.4961 0.0000 0.0000 65.2669 32.2064 179.3814 21 D 4.4518 8.3169 118.0531 56.6480 40.8115 176.6943 22 N 4.8831 8.3714 113.8733 52.8650 39.0792 174.8385 23 G 3.8053 8.3764 105.6758 45.8155 0.0000 173.7643 24 V 4.1925 7.8481 119.9530 60.5243 32.7636 175.0084 25 N 4.8709 8.4962 124.9481 51.8445 39.3825 172.8663 26 P 4.3126 0.0000 0.0000 64.6651 31.7558 177.0087 27 G 3.9539 9.1965 110.8073 45.5630 0.0000 173.6398 28 T 4.0760 7.7415 117.4151 62.7813 69.1353 174.2980 29 D 4.5921 8.5220 126.0112 53.7951 42.4338 176.5046 30 F 3.3237 8.9830 127.2023 60.8635 39.3377 177.4487 31 K 3.8553 8.1693 118.6150 59.0738 32.4410 177.3246 32 D 4.4856 7.5566 117.6853 54.2756 41.3176 176.8370 33 I 3.3528 6.5753 120.9865 60.1792 37.4870 174.2496 34 P 4.1598 0.0000 0.0000 63.1350 31.5580 176.8756 35 D 4.4804 8.6011 121.2941 55.8476 40.7979 176.5456 36 D 4.6571 7.7829 117.7262 52.8257 40.3313 176.6458 37 W 4.1857 8.1619 130.9377 57.7451 31.1734 175.2406 38 V 4.2207 6.8752 116.6983 58.6794 34.7677 175.0820 39 C 3.4199 8.1283 122.3805 58.9776 31.6442 173.2973 40 P 4.0567 0.0000 0.0000 64.8765 30.9594 177.0437 41 L 4.1089 7.1129 121.0579 56.5831 42.4491 176.7442 42 C 4.3361 7.8643 112.6317 57.7814 30.7985 174.7107 43 G 3.7656 7.9872 108.5849 45.4358 0.0000 173.9622 44 V 3.9517 7.3719 113.0210 60.1154 32.8643 176.1251 45 G 4.3290 8.2441 110.7142 44.5463 0.0000 174.6726 46 K 4.2793 8.7536 117.6926 59.4840 31.9954 178.9499 47 D 4.6945 8.2547 116.3406 55.2713 39.6407 176.5435 48 Q 4.5176 8.5693 119.3775 56.0297 28.9312 174.6147 49 F 5.3382 8.4019 117.1202 56.0236 41.2480 175.1971 50 E 4.8570 8.8906 120.3076 54.1099 33.7054 174.8112 51 E 2.5400 8.6830 124.1272 56.4619 30.2239 176.3065 52 V 3.7748 7.8780 127.3401 62.0446 32.1743 175.5353 53 E 4.1062 8.5703 127.9133 56.3094 29.5454 175.4574 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 M 8.30 4.54 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.78 0.00 2 K 8.60 4.26 0.00 1.81 1.63 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.92 7.81 3 K 8.99 4.70 0.00 1.67 1.77 0.00 1.56 0.00 0.00 1.76 0.00 0.00 2.75 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.47 1.44 7.81 4 Y 9.19 4.85 0.00 2.57 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.71 5.10 4.18 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 1.24 0.00 0.00 6 C 8.75 3.21 0.00 2.13 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.66 4.19 4.20 0.00 0.00 0.00 0.00 0.00 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 8 V 7.52 3.90 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 0.83 0.00 0.00 0.91 0.00 0.00 9 C 7.97 4.67 0.00 3.08 2.96 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 10 G 8.51 3.90 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 0.00 0.00 0.00 11 Y 7.87 4.20 0.00 3.19 2.95 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 12 I 7.47 4.77 1.67 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.95 0.84 0.00 0.00 13 Y 9.50 4.43 0.00 3.61 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 14 N 7.93 5.01 0.00 2.63 2.43 0.00 0.00 6.95 7.71 0.00 0.00 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 P 0.00 4.16 0.00 2.32 2.51 0.00 3.66 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.32 0.00 16 E 8.64 4.07 0.00 2.03 2.02 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 2.33 2.25 0.00 17 D 7.91 4.52 0.00 2.57 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.68 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.61 5.00 0.00 3.19 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.50 0.00 2.30 2.33 0.00 3.86 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.03 0.00 21 D 8.32 4.45 0.00 2.77 2.83 0.00 0.00 0.00 0.00 0.00 0.00 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 8.37 4.88 0.00 3.13 2.97 0.00 0.00 7.02 7.65 0.00 0.00 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 G 8.38 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 V 7.85 4.19 2.23 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 0.92 0.00 0.00 0.59 0.00 0.00 25 N 8.50 4.87 0.00 2.87 2.72 0.00 0.00 7.05 8.03 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 26 P 0.00 4.31 0.00 2.03 2.25 0.00 3.72 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 2.05 2.24 0.00 27 G 9.20 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 0.00 0.00 0.00 28 T 7.74 4.08 4.27 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 1.04 0.00 0.00 29 D 8.52 4.59 0.00 2.70 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 F 8.98 3.32 0.00 2.72 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 0.00 0.00 0.00 31 K 8.17 3.86 0.00 1.87 2.01 0.00 1.65 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.34 7.81 32 D 7.56 4.49 0.00 2.71 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 I 6.58 3.35 0.83 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 -0.01 0.00 0.00 34 P 0.00 4.16 0.00 2.21 1.94 0.00 3.41 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.04 0.00 35 D 8.60 4.48 0.00 2.62 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.78 4.66 0.00 2.77 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.16 4.19 0.00 3.08 3.03 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 0.00 0.00 0.00 38 V 6.88 4.22 1.94 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 0.65 0.00 0.00 0.62 0.00 0.00 39 C 8.13 3.42 0.00 3.27 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 40 P 0.00 4.06 0.00 2.07 2.07 0.00 2.72 0.00 0.00 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 2.17 0.00 41 L 7.11 4.11 0.00 1.60 1.64 0.97 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 42 C 7.86 4.34 0.00 3.08 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 G 7.99 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 V 7.37 3.95 2.12 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 0.72 0.00 0.00 0.99 0.00 0.00 45 G 8.24 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 0.00 0.00 0.00 0.00 46 K 8.75 4.28 0.00 1.89 1.97 0.00 1.56 0.00 0.00 1.68 0.00 0.00 2.15 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.59 1.64 7.81 47 D 8.25 4.69 0.00 2.85 2.89 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 48 Q 8.57 4.52 0.00 2.36 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.79 0.00 0.00 0.00 0.00 0.00 2.42 2.51 0.00 49 F 8.40 5.34 0.00 3.19 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 E 8.89 4.86 0.00 1.86 1.74 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 2.27 2.28 0.00 51 E 8.68 2.54 0.00 1.48 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.50 0.00 52 V 7.88 3.77 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.84 0.00 0.00 53 E 8.57 4.11 0.00 1.87 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 2.20 2.30 0.00