NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.3695 8.0976 119.7167 55.3957 31.4455 175.9960 2 P 4.1121 0.0000 0.0000 63.8479 30.9450 175.2521 3 Y 4.8321 9.0764 118.9800 56.5373 40.5156 173.5571 4 H 5.2974 8.5608 118.6838 53.3858 31.7723 173.0155 5 C 4.1667 8.6134 123.9289 59.7510 32.3847 173.2724 6 S 4.5730 8.6509 116.1898 58.3918 61.8062 174.1256 7 Y 4.7346 6.9717 118.9527 59.1884 47.5191 179.2894 8 C 4.6123 8.1989 123.2187 60.1389 28.8047 174.1499 9 N 4.9308 8.6026 123.0336 53.9860 39.2707 175.2107 10 F 3.6704 8.1717 119.8757 57.8366 39.6319 173.3066 11 S 4.5994 7.8653 121.2739 57.7153 62.8162 173.2976 12 F 4.7825 9.0863 128.6759 56.5247 40.9356 174.6476 13 K 4.4403 8.9909 118.3996 58.0515 33.9945 176.8921 14 T 3.6904 6.9612 107.1484 58.3964 73.3530 174.3893 15 K 4.0029 8.0515 120.7204 59.2476 31.8922 178.5113 16 G 3.6230 7.8659 104.8398 48.0634 0.0000 174.8626 17 N 4.3685 7.9069 118.8895 55.6107 38.7216 176.7575 18 L 2.4400 7.4540 121.4776 58.4328 42.0033 179.3347 19 T 3.7609 8.2151 115.4781 66.5104 68.4293 176.2800 20 K 3.7104 8.0369 121.7685 59.6809 31.8187 178.3620 21 H 4.0716 7.4631 117.5894 59.6452 29.9926 177.1607 22 M 4.1377 7.7865 118.1786 57.9604 31.8020 178.0534 23 K 3.9961 8.2568 120.3784 58.4358 32.8054 177.4341 24 S 4.1935 7.7750 112.2698 58.2738 62.7396 174.6198 25 K 4.4872 8.3167 118.2019 56.1635 32.2363 178.8689 26 A 3.5783 7.7923 119.0864 55.0861 17.6437 179.6216 27 H 4.6398 8.3402 106.3266 52.9094 30.1962 175.8897 28 S 4.7613 7.5868 122.4501 57.8040 63.3555 176.0329 29 K 4.4438 7.9649 114.2062 57.1722 32.7061 177.7671 30 K 4.1171 7.8635 123.3835 57.1889 32.9303 175.8108 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 R 8.10 4.37 0.00 2.12 2.11 0.00 3.21 0.00 0.00 3.40 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.78 0.00 2 P 0.00 4.11 0.00 1.63 1.95 0.00 3.82 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.03 0.00 3 Y 9.08 4.83 0.00 3.25 3.07 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 0.00 0.00 0.00 0.00 4 H 8.56 5.30 0.00 3.01 3.26 0.00 5.75 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 C 8.61 4.17 0.00 3.34 3.15 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 0.00 0.00 0.00 0.00 6 S 8.65 4.57 0.00 4.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 6.97 4.73 0.00 2.74 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.20 4.61 0.00 3.26 3.10 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.60 4.93 0.00 2.66 2.71 0.00 0.00 6.76 7.08 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 10 F 8.17 3.67 0.00 3.09 2.74 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 0.00 0.00 0.00 11 S 7.87 4.60 0.00 3.47 3.55 0.00 0.00 0.00 0.00 0.00 0.00 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 9.09 4.78 0.00 2.97 3.08 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 0.00 0.00 0.00 0.00 13 K 8.99 4.44 0.00 1.72 1.79 0.00 1.75 0.00 0.00 1.77 0.00 0.00 3.08 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.30 1.41 7.81 14 T 6.96 3.69 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 1.13 0.00 0.00 15 K 8.05 4.00 0.00 2.03 1.85 0.00 1.82 0.00 0.00 1.88 0.00 0.00 2.99 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.51 1.56 7.81 16 G 7.87 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.91 4.37 0.00 2.87 3.05 0.00 0.00 6.54 6.72 0.00 0.00 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 7.45 2.44 0.00 1.58 1.72 0.88 0.85 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 T 8.22 3.76 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 20 K 8.04 3.71 0.00 1.91 1.71 0.00 1.61 0.00 0.00 1.55 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.41 7.81 21 H 7.46 4.07 0.00 2.82 3.19 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 22 M 7.79 4.14 0.00 2.02 2.08 0.00 0.00 0.00 0.00 0.00 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.54 0.00 23 K 8.26 4.00 0.00 1.76 1.86 0.00 1.68 0.00 0.00 1.59 0.00 0.00 3.04 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.45 7.81 24 S 7.77 4.19 0.00 3.88 3.71 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 0.00 0.00 0.00 0.00 25 K 8.32 4.49 0.00 1.75 1.76 0.00 1.81 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.40 7.81 26 A 7.79 3.58 0.99 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 0.00 0.00 27 H 8.34 4.64 0.00 2.59 3.02 0.00 5.59 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 S 7.59 4.76 0.00 4.12 4.03 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 29 K 7.96 4.44 0.00 1.76 1.86 0.00 1.77 0.00 0.00 1.68 0.00 0.00 2.77 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.43 7.81 30 K 7.86 4.12 0.00 1.74 1.69 0.00 1.80 0.00 0.00 1.78 0.00 0.00 3.04 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.36 1.42 7.81