NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 A 4.3239 8.2644 123.5780 52.3762 19.9816 175.4317 1 M 4.5562 8.1603 117.5436 52.3881 35.4092 172.4584 2 D 4.8537 8.3230 124.2142 51.8407 45.8798 176.1968 3 S 4.1921 8.6698 121.7850 61.5318 63.0553 176.3725 4 N 4.4550 8.5076 121.7101 55.8546 38.4117 177.4825 5 T 3.8966 8.0531 116.7621 66.6996 68.5398 176.5728 6 M 4.1338 7.8992 120.4707 58.4924 31.7909 178.9838 7 S 4.8372 8.1446 115.7459 61.1557 63.1247 176.7028 8 S 4.1707 8.4818 119.1537 61.3374 62.5420 176.3942 9 F 4.2588 8.2932 123.0937 61.1195 39.2297 177.2997 10 Q 3.9966 8.3572 118.0229 58.9328 28.5814 179.0968 11 V 3.7207 7.8774 120.0200 65.1572 31.3809 177.9899 12 D 4.4213 8.0370 119.5772 57.1158 40.5053 178.6519 13 C 4.0269 7.9454 117.1867 62.8079 28.2328 176.0113 14 F 4.3859 8.2689 122.2646 61.2823 38.9885 177.2959 15 L 3.8691 8.5216 119.1639 57.2480 41.2693 179.2799 16 W 3.8837 8.3090 128.6527 60.5417 30.6442 177.4998 17 H 4.1391 8.1529 118.1042 59.1869 29.2080 177.3406 18 I 3.4361 7.1866 121.2166 64.4149 36.8618 178.5397 19 R 4.0113 7.6012 118.8139 59.0268 29.7245 179.1044 20 K 3.4861 7.4133 119.3700 59.5034 31.9394 179.1234 21 R 3.8624 7.4918 116.8314 59.0415 30.3232 178.6036 22 F 4.1643 8.4219 120.3364 61.2300 39.4319 177.0562 23 A 3.9453 8.3978 120.5989 55.3516 17.9879 179.3419 24 D 4.3349 8.2485 116.6022 57.0959 40.8991 177.8060 25 N 4.6377 7.5685 114.3306 52.4797 38.7083 175.2801 26 G 3.7460 7.6653 108.3123 46.6704 0.0000 174.7795 27 L 4.0261 7.3296 118.6233 54.0629 42.4626 177.2115 28 G 3.7870 7.3206 108.1679 44.6725 0.0000 173.9721 29 D 4.7191 8.3989 122.7560 51.6749 42.4900 177.4175 30 A 4.0191 8.4643 120.5427 55.1629 18.1872 177.9273 31 P 4.2531 0.0000 0.0000 65.6227 31.3942 178.5611 32 F 4.0403 8.5579 119.4378 61.4411 39.3360 177.2927 33 L 4.1215 8.2695 118.5716 57.5472 41.3643 179.0994 34 D 4.2952 8.1556 118.2540 57.4610 41.1699 178.4473 35 R 3.9011 8.1175 118.7656 59.0488 30.1249 178.7805 36 L 3.8736 7.8235 120.1274 58.0501 41.5374 179.0708 37 R 4.0017 8.0238 118.5275 59.6010 30.1174 178.6398 38 R 3.9647 8.0637 117.7712 59.5464 30.0687 178.8805 39 D 4.4151 8.4444 118.7658 57.2605 40.7481 178.6559 40 Q 3.1228 8.1503 120.1174 58.7613 29.0443 178.4796 41 K 3.9914 7.7290 118.9222 59.6741 32.7305 179.1270 42 S 4.0705 8.0533 114.4873 61.3525 62.2442 176.2280 43 L 4.1750 8.0674 121.7144 57.5462 41.4038 179.6165 44 K 4.0613 7.9309 118.4180 59.2777 31.9893 179.6336 45 G 3.5578 8.1077 105.9687 47.8571 0.0000 175.9329 46 R 3.9668 8.2143 121.1146 58.8832 30.0234 179.4409 47 G 3.1879 8.2608 105.5905 47.4905 0.0000 175.2912 48 N 4.2363 7.9760 119.0689 56.7362 38.7879 177.1041 49 T 3.8151 7.5820 115.7914 66.6354 68.6868 176.2127 50 L 4.1363 7.7044 118.5010 54.5338 42.0868 176.9513 51 G 3.8213 7.4846 105.7600 46.7751 0.0000 173.6325 52 L 4.7762 7.8942 118.6323 51.8878 45.1155 177.2008 53 D 4.7004 8.5039 123.0401 52.7878 41.8065 177.4934 54 I 3.6966 8.4072 123.6475 64.5912 37.1140 177.9103 55 E 3.9128 8.3054 119.5507 59.9852 29.3522 179.0882 56 T 3.9060 8.1220 114.7683 66.5278 68.5707 176.6585 57 A 4.0652 8.0323 122.6793 55.5172 18.3955 179.7433 58 T 3.9009 8.4388 114.4790 66.9545 68.3363 176.8846 59 L 3.9538 7.6999 120.8968 57.6121 41.5549 179.7982 60 V 3.6547 8.0150 118.5106 65.7711 31.5067 178.1776 61 G 3.7030 8.5703 105.9296 47.7066 0.0000 175.2486 62 K 2.0000 7.5982 121.8561 58.9776 32.0129 178.9057 63 Q 4.0506 7.5531 117.8856 58.7426 28.5654 178.7962 64 I 3.6765 7.8668 121.0355 64.3480 37.1906 178.6335 65 V 3.6901 8.2910 119.3682 66.1438 31.3353 177.7579 66 E 4.0312 8.6224 118.7492 59.2852 29.2986 179.2206 67 W 4.0255 8.3434 128.3094 60.3744 30.5241 178.1637 68 I 3.8345 7.7831 118.7759 64.5280 36.7749 178.0138 69 L 4.1268 8.3797 120.1899 57.7729 41.2327 179.6244 70 K 3.8523 8.0734 118.7863 59.3764 32.2053 178.1211 71 E 3.7065 7.6846 118.8602 58.0864 29.3824 176.3826 72 E 4.1982 7.6246 120.8130 56.2391 29.7964 175.3272 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 0 A 8.26 4.32 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.16 4.56 0.00 1.99 1.86 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.57 0.00 2 D 8.32 4.85 0.00 2.68 2.43 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 3 S 8.67 4.19 0.00 4.07 4.09 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 0.00 0.00 0.00 4 N 8.51 4.45 0.00 3.00 2.91 0.00 0.00 6.95 6.63 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 5 T 8.05 3.90 4.40 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 1.20 0.00 0.00 6 M 7.90 4.13 0.00 2.13 2.24 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.52 0.00 7 S 8.14 4.84 0.00 4.04 4.11 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 0.00 0.00 0.00 0.00 8 S 8.48 4.17 0.00 4.10 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.29 4.26 0.00 3.21 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 10 Q 8.36 4.00 0.00 2.34 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.57 0.00 0.00 0.00 0.00 0.00 2.55 2.55 0.00 11 V 7.88 3.72 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 1.06 0.00 0.00 1.02 0.00 0.00 12 D 8.04 4.42 0.00 2.88 2.75 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 0.00 0.00 0.00 13 C 7.95 4.03 0.00 2.92 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 14 F 8.27 4.39 0.00 3.35 3.11 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 0.00 0.00 0.00 0.00 15 L 8.52 3.87 0.00 1.70 1.67 0.96 0.75 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 16 W 8.31 3.88 0.00 3.47 3.34 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.15 4.14 0.00 3.42 3.41 0.00 5.84 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 18 I 7.19 3.44 1.75 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 -0.33 0.79 0.00 0.00 19 R 7.60 4.01 0.00 1.62 1.65 0.00 2.99 0.00 0.00 3.03 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 20 K 7.41 3.49 0.00 0.79 1.50 0.00 1.35 0.00 0.00 1.29 0.00 0.00 3.12 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.36 1.38 7.81 21 R 7.49 3.86 0.00 1.88 1.92 0.00 3.38 0.00 0.00 3.12 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.52 0.00 22 F 8.42 4.16 0.00 3.01 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 23 A 8.40 3.95 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.25 4.33 0.00 2.78 2.71 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 N 7.57 4.64 0.00 2.67 2.66 0.00 0.00 7.02 6.93 0.00 0.00 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 G 7.67 3.75 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 0.00 0.00 0.00 0.00 0.00 0.00 27 L 7.33 4.03 0.00 0.27 0.76 0.58 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 28 G 7.32 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.40 4.72 0.00 2.91 2.85 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 0.00 0.00 0.00 30 A 8.46 4.02 1.37 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 0.00 0.00 0.00 31 P 0.00 4.25 0.00 2.24 2.15 0.00 4.03 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 2.15 2.18 0.00 32 F 8.56 4.04 0.00 3.32 3.26 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.27 4.12 0.00 1.97 1.77 0.97 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 34 D 8.16 4.30 0.00 2.93 2.85 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 0.00 0.00 0.00 35 R 8.12 3.90 0.00 1.80 1.82 0.00 3.12 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.78 0.00 36 L 7.82 3.87 0.00 1.53 1.79 -0.10 0.64 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 37 R 8.02 4.00 0.00 2.08 2.11 0.00 3.18 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 1.67 1.73 0.00 38 R 8.06 3.96 0.00 1.92 1.97 0.00 3.19 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.88 0.00 39 D 8.44 4.42 0.00 3.05 2.87 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 40 Q 8.15 3.12 0.00 2.23 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.82 0.00 0.00 0.00 0.00 0.00 2.05 1.46 0.00 41 K 7.73 3.99 0.00 2.03 2.02 0.00 1.36 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.50 1.43 7.81 42 S 8.05 4.07 0.00 4.02 4.08 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 43 L 8.07 4.17 0.00 1.64 1.60 0.68 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 44 K 7.93 4.06 0.00 1.91 1.82 0.00 1.60 0.00 0.00 1.60 0.00 0.00 2.78 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.46 7.81 45 G 8.11 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.21 3.97 0.00 2.20 1.97 0.00 3.20 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.80 0.00 47 G 8.26 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 0.00 0.00 0.00 48 N 7.98 4.24 0.00 2.90 2.92 0.00 0.00 7.22 6.69 0.00 0.00 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 T 7.58 3.82 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 1.15 0.00 0.00 50 L 7.70 4.14 0.00 1.24 1.51 0.47 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 51 G 7.48 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 52 L 7.89 4.78 0.00 1.41 1.61 0.87 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 53 D 8.50 4.70 0.00 2.98 2.81 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 54 I 8.41 3.70 1.87 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 1.60 0.68 0.82 0.00 0.00 55 E 8.31 3.91 0.00 2.05 2.19 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 2.41 2.45 0.00 56 T 8.12 3.91 4.32 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 1.23 0.00 0.00 57 A 8.03 4.07 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.44 3.90 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 59 L 7.70 3.95 0.00 1.80 1.68 0.96 0.79 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 60 V 8.02 3.65 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 1.06 0.00 0.00 0.96 0.00 0.00 61 G 8.57 3.70 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 0.00 0.00 0.00 62 K 7.60 2.00 0.00 1.00 1.62 0.00 1.57 0.00 0.00 1.49 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.12 0.73 7.81 63 Q 7.55 4.05 0.00 2.21 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.59 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 64 I 7.87 3.68 2.01 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.77 0.92 0.00 0.00 65 V 8.29 3.69 2.28 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 1.26 0.00 0.00 1.24 0.00 0.00 66 E 8.62 4.03 0.00 2.07 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 2.35 2.38 0.00 67 W 8.34 4.03 0.00 3.55 3.40 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 68 I 7.78 3.83 2.17 0.00 0.00 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 1.77 1.13 1.00 0.00 0.00 69 L 8.38 4.13 0.00 1.66 1.73 1.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 70 K 8.07 3.85 0.00 1.80 1.61 0.00 1.76 0.00 0.00 1.49 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.32 1.37 7.81 71 E 7.68 3.71 0.00 1.41 1.89 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 2.11 2.14 0.00 72 E 7.62 4.20 0.00 2.01 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.18 0.00