NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 P 4.3599 0.0000 0.0000 62.3503 32.1494 175.5785 6 V 3.6728 8.3213 124.1987 60.8480 32.1197 173.4792 7 P 4.6445 0.0000 0.0000 62.5061 32.9190 176.2664 8 S 4.4523 8.5832 115.7440 57.8889 64.9007 175.2011 9 F 4.3424 8.9296 124.0511 61.5811 38.9332 177.2567 10 G 3.4868 8.1530 104.5170 47.8942 0.0000 175.0206 11 E 3.6137 8.2577 121.4593 58.8386 29.4018 179.1420 12 A 4.1926 8.2412 120.9663 55.9122 18.3460 179.7212 13 M 3.9395 7.9786 116.7824 58.1851 31.9434 178.9604 14 A 3.8996 8.1053 121.3362 55.3462 18.4823 179.3008 15 Y 4.2392 8.1288 115.7000 61.2175 37.8785 178.5737 16 F 4.0315 8.7272 121.6318 61.1859 39.4812 176.7174 17 A 3.9899 8.3368 120.5750 55.8154 18.0796 179.6335 18 M 4.0816 8.0160 116.8128 58.3242 32.0319 179.0815 19 V 3.5657 7.9600 118.7515 65.8014 31.5385 178.1020 20 K 3.7489 7.8595 119.5978 59.4780 31.8357 178.8293 21 R 3.8837 8.0482 117.5100 59.5196 30.4149 178.0250 22 Y 4.1852 8.3998 119.4062 60.8009 38.7528 177.8485 23 L 4.0447 8.2837 121.3935 58.3424 42.0138 178.4603 24 T 4.2767 7.9907 107.3830 62.8653 69.2230 176.0650 25 S 4.1522 7.6019 116.1727 59.0279 63.5548 173.8251 26 F 4.6269 6.9074 120.9201 54.9249 40.7790 173.7219 27 P 4.4212 0.0000 0.0000 62.5009 31.3268 176.1561 28 I 4.6006 8.1641 116.5097 58.9018 40.8907 175.9348 29 D 4.8871 8.0596 121.4539 54.1631 43.9969 176.7008 30 D 4.4120 8.5667 114.8720 57.0742 41.0227 178.3802 31 R 3.7335 7.8153 119.0767 59.4552 30.2415 178.5710 32 V 3.5647 7.6453 117.4890 66.0155 31.5896 177.5872 33 Q 4.0368 8.1602 118.0814 59.1868 28.5448 179.2955 34 S 4.0974 8.2656 115.2163 61.6206 63.1764 176.2758 35 H 4.3061 8.1201 119.9109 58.5265 28.3406 177.6964 36 I 3.9285 7.8886 121.7479 64.6611 37.0346 178.5025 37 L 4.0868 7.9402 119.6191 57.9694 41.4242 179.2715 38 H 4.2567 8.3365 116.3200 59.0207 28.6370 177.6795 39 L 4.0104 7.9748 121.6644 57.8762 41.7637 178.5051 40 E 3.1501 8.2923 119.6040 59.0173 29.4583 178.1687 41 H 4.1002 8.2036 118.2664 59.5422 29.8974 176.7367 42 D 4.4131 8.1496 120.5004 57.6401 40.1759 179.0430 43 L 3.9883 8.0858 119.4598 57.6100 41.4657 179.8283 44 V 3.6421 7.5502 118.2928 66.2703 31.6563 177.6412 45 H 4.1719 8.5017 118.3330 58.8474 29.7191 177.2657 46 V 3.5848 8.0599 120.4832 66.1597 31.0850 178.2216 47 T 3.7420 7.1390 114.0838 66.4840 68.3705 176.2618 48 R 3.8835 7.7669 119.3592 59.3756 30.1787 178.1976 49 K 3.9708 7.9714 116.9074 59.6018 32.2098 177.2848 50 N 4.6123 7.8993 119.3383 53.5134 38.6315 174.8877 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 5 P 0.00 4.36 0.00 2.22 2.17 0.00 3.73 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.97 0.00 6 V 8.32 3.67 2.11 0.00 0.00 0.00 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 0.95 0.00 0.00 7 P 0.00 4.64 0.00 2.22 2.21 0.00 3.80 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.25 0.00 8 S 8.58 4.45 0.00 4.15 4.04 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 0.00 0.00 0.00 0.00 9 F 8.93 4.34 0.00 3.10 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 10 G 8.15 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.26 3.61 0.00 2.12 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.21 0.00 12 A 8.24 4.19 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 7.98 3.94 0.00 1.84 1.88 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.41 0.00 14 A 8.11 3.90 1.13 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 0.00 0.00 0.00 0.00 0.00 15 Y 8.13 4.24 0.00 3.22 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 F 8.73 4.03 0.00 3.27 3.24 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 0.00 17 A 8.34 3.99 1.44 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 0.00 0.00 18 M 8.02 4.08 0.00 2.14 2.30 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.55 0.00 19 V 7.96 3.57 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 0.90 0.00 0.00 0.93 0.00 0.00 20 K 7.86 3.75 0.00 1.34 1.78 0.00 1.83 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.42 7.81 21 R 8.05 3.88 0.00 1.97 2.01 0.00 3.38 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.79 0.00 22 Y 8.40 4.19 0.00 3.06 3.20 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 0.00 23 L 8.28 4.04 0.00 2.06 1.69 0.95 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 24 T 7.99 4.28 4.23 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 1.27 0.00 0.00 25 S 7.60 4.15 0.00 3.79 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 26 F 6.91 4.63 0.00 3.07 2.94 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 0.00 0.00 0.00 0.00 27 P 0.00 4.42 0.00 2.07 2.02 0.00 3.79 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.08 0.00 28 I 8.16 4.60 1.87 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 1.32 0.80 0.95 0.00 0.00 29 D 8.06 4.89 0.00 2.80 2.55 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 30 D 8.57 4.41 0.00 2.71 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 31 R 7.82 3.73 0.00 1.83 1.86 0.00 3.18 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.61 0.00 32 V 7.65 3.56 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 1.03 0.00 0.00 0.92 0.00 0.00 33 Q 8.16 4.04 0.00 2.35 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.58 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 34 S 8.27 4.10 0.00 3.91 4.13 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 0.00 0.00 0.00 35 H 8.12 4.31 0.00 3.42 3.40 0.00 5.64 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 I 7.89 3.93 2.12 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.83 1.11 0.00 0.00 37 L 7.94 4.09 0.00 1.84 1.75 0.93 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 38 H 8.34 4.26 0.00 3.21 3.35 0.00 5.62 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 L 7.97 4.01 0.00 1.90 1.79 0.95 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 40 E 8.29 3.15 0.00 2.11 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 2.27 2.06 0.00 41 H 8.20 4.10 0.00 3.32 3.50 0.00 5.85 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 42 D 8.15 4.41 0.00 2.87 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 43 L 8.09 3.99 0.00 1.63 1.73 0.47 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 44 V 7.55 3.64 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 1.12 0.00 0.00 1.11 0.00 0.00 45 H 8.50 4.17 0.00 3.06 3.23 0.00 5.84 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 V 8.06 3.58 2.20 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 1.02 0.00 0.00 0.96 0.00 0.00 47 T 7.14 3.74 4.07 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 0.76 0.00 0.00 48 R 7.77 3.88 0.00 1.80 2.00 0.00 3.25 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 49 K 7.97 3.97 0.00 1.71 1.77 0.00 1.71 0.00 0.00 1.69 0.00 0.00 3.05 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.34 1.10 7.81 50 N 7.90 4.61 0.00 2.74 2.69 0.00 0.00 6.97 6.90 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