NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 H 4.3083 8.4449 120.3576 56.0914 30.9517 172.3824 3 Y 4.6481 7.2286 121.0025 55.8079 39.6069 172.5298 4 E 4.2241 9.3140 122.0844 56.6017 31.1347 176.2765 5 E 4.6085 8.5518 120.0258 55.4554 33.5967 174.8698 6 G 3.8702 8.9385 106.7616 43.4105 0.0000 171.3977 7 P 4.2088 0.0000 0.0000 64.1547 31.4446 177.3711 8 G 3.8082 8.7242 109.4514 45.9679 0.0000 173.8912 9 K 4.3399 8.1647 118.2582 56.2634 33.4648 176.3550 10 N 4.8986 7.8359 115.8947 52.3191 37.9774 174.6449 11 I 4.4552 7.0494 110.7250 59.5055 40.5597 173.1505 12 P 4.6123 0.0000 0.0000 62.7828 31.1194 175.4117 13 F 4.9454 6.5513 111.3197 55.2964 40.9055 173.8894 14 S 4.4373 8.5577 115.7181 57.7306 63.0482 174.0761 15 V 4.3642 8.0305 119.0377 61.1749 32.0208 176.2507 16 E 3.9569 8.0360 122.8088 58.9645 29.4630 177.3060 17 N 4.9122 7.8720 117.3888 51.0950 41.4772 174.7971 18 K 3.7462 8.3868 128.2155 59.5923 32.5617 179.0435 19 W 4.4748 7.7186 119.8203 59.4335 29.1722 178.2637 20 R 3.9824 9.0269 119.1855 59.3512 29.4202 178.4039 21 L 3.9551 8.0982 120.3217 58.0345 42.0419 178.6425 22 L 3.9574 8.1298 120.1448 57.9665 41.9128 178.7799 23 A 4.0336 8.1075 120.7036 55.4933 18.3275 179.3912 24 M 3.9883 8.2261 117.2738 59.0750 32.0563 179.0855 25 M 4.0968 8.2880 118.7592 58.4669 32.1083 179.0979 26 T 4.0164 8.3461 116.3306 66.6117 68.6647 176.7123 27 L 4.0387 8.2603 121.2472 58.1200 41.4029 179.0230 28 F 4.1164 8.6142 121.0038 61.3955 39.2548 177.1674 29 F 4.3358 8.6055 117.2754 60.5096 38.8758 178.1367 30 G 3.8166 8.5038 105.7282 47.6797 0.0000 175.8629 31 S 4.2698 8.2644 116.7939 61.3351 62.7231 177.0119 32 G 3.5302 7.5313 108.2376 47.4123 0.0000 175.1867 33 F 4.3810 8.3488 121.9891 60.8457 39.7080 176.5520 34 A 4.5284 8.5485 119.9763 54.1341 18.5769 179.0145 35 A 4.0182 7.7719 119.9489 55.4462 18.3878 178.1595 36 P 4.0808 0.0000 0.0000 65.5982 31.3035 178.9267 37 F 3.9458 7.8836 116.2173 60.5606 38.8177 177.5962 38 F 4.0813 8.5096 117.4092 60.3147 38.5737 177.9646 39 I 3.8077 8.0475 119.9653 64.2532 36.8218 178.5127 40 V 3.5306 7.7424 119.2031 65.8624 31.2320 177.9454 41 R 3.8212 8.0877 118.4863 59.6983 29.6800 177.8621 42 H 4.1684 8.2479 116.9666 59.4854 30.2554 176.9603 43 Q 4.0184 8.3815 119.9991 58.9589 28.3504 178.6099 44 L 3.9967 7.9325 119.0648 57.8757 41.7524 179.3754 45 L 4.1664 8.0924 117.6943 56.9383 41.6025 179.2881 46 K 4.0993 7.5966 118.0364 58.6212 32.1087 176.8183 47 K 3.9659 7.6823 123.2164 57.1895 32.2786 173.9494 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 H 8.44 4.31 0.00 2.94 3.18 0.00 5.88 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 3 Y 7.23 4.65 0.00 3.04 2.73 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 0.00 0.00 0.00 0.00 4 E 9.31 4.22 0.00 1.94 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 2.32 2.26 0.00 5 E 8.55 4.61 0.00 1.88 1.78 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 2.19 2.32 0.00 6 G 8.94 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 P 0.00 4.21 0.00 2.02 2.01 0.00 3.78 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.09 0.00 8 G 8.72 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 9 K 8.16 4.34 0.00 1.68 1.79 0.00 1.66 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.54 1.63 7.81 10 N 7.84 4.90 0.00 2.76 2.84 0.00 0.00 5.81 7.81 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 11 I 7.05 4.46 0.60 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.42 0.69 0.00 0.00 12 P 0.00 4.61 0.00 2.21 2.13 0.00 3.73 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.96 0.00 13 F 6.55 4.95 0.00 3.08 2.86 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 14 S 8.56 4.44 0.00 3.83 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 15 V 8.03 4.36 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 0.84 0.00 0.00 0.86 0.00 0.00 16 E 8.04 3.96 0.00 1.91 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 2.33 2.32 0.00 17 N 7.87 4.91 0.00 2.78 2.66 0.00 0.00 6.84 7.05 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 18 K 8.39 3.75 0.00 1.52 1.71 0.00 0.66 0.00 0.00 1.13 0.00 0.00 2.70 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.66 0.21 7.81 19 W 7.72 4.47 0.00 3.62 3.28 0.00 0.00 0.00 0.00 0.00 0.00 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 R 9.03 3.98 0.00 1.89 2.11 0.00 3.12 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.69 0.00 21 L 8.10 3.96 0.00 1.87 1.69 1.08 0.55 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 22 L 8.13 3.96 0.00 1.98 1.99 0.99 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 23 A 8.11 4.03 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.23 3.99 0.00 1.94 2.14 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.99 0.00 25 M 8.29 4.10 0.00 2.27 2.25 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.43 0.00 26 T 8.35 4.02 4.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 27 L 8.26 4.04 0.00 1.87 1.75 0.94 1.14 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 28 F 8.61 4.12 0.00 2.81 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 29 F 8.61 4.34 0.00 3.32 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 30 G 8.50 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 S 8.26 4.27 0.00 4.04 4.30 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 32 G 7.53 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.35 4.38 0.00 3.22 3.30 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 34 A 8.55 4.53 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 A 7.77 4.02 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 36 P 0.00 4.08 0.00 1.60 1.82 0.00 3.66 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.06 0.00 37 F 7.88 3.95 0.00 3.19 2.82 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 0.00 0.00 0.00 0.00 38 F 8.51 4.08 0.00 3.35 3.18 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 0.00 39 I 8.05 3.81 1.86 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 1.43 1.02 0.92 0.00 0.00 40 V 7.74 3.53 2.22 0.00 0.00 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 0.82 0.00 0.00 41 R 8.09 3.82 0.00 1.84 2.09 0.00 3.05 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.62 0.00 42 H 8.25 4.17 0.00 3.21 3.55 0.00 6.01 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 Q 8.38 4.02 0.00 2.19 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.56 0.00 0.00 0.00 0.00 0.00 2.49 2.54 0.00 44 L 7.93 4.00 0.00 1.71 1.72 0.90 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 45 L 8.09 4.17 0.00 1.74 1.73 0.95 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 46 K 7.60 4.10 0.00 1.88 1.81 0.00 1.53 0.00 0.00 1.38 0.00 0.00 2.93 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.40 1.37 7.81 47 K 7.68 3.97 0.00 1.64 1.58 0.00 1.80 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.17 1.26 7.81