NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 P 4.2395 0.0000 0.0000 59.9233 34.0124 175.6682 17 S 3.4736 7.8313 114.9907 57.7447 60.0848 171.2821 18 R 4.6909 8.2835 122.0937 53.2163 32.7912 174.9665 19 K 4.6748 8.5227 123.3297 56.1693 39.8585 177.4883 20 A 4.5884 8.3569 127.3475 51.6869 19.9344 180.4071 21 K 4.4237 8.6295 120.9638 58.0849 34.6481 175.3418 22 V 3.2156 7.8767 126.5519 65.2110 31.5973 177.4529 23 K 4.1833 8.0634 120.4990 59.6381 32.3987 177.8722 24 A 4.1530 7.8971 121.0193 55.4985 19.0251 178.9602 25 T 4.1674 7.6888 112.8932 62.1748 67.0379 172.2086 26 L 4.3671 6.6941 121.5215 55.2402 46.1469 172.8809 27 G 4.2361 8.4407 109.8669 45.1774 0.0000 172.8442 28 E 4.3216 8.9576 124.6360 55.6932 29.9821 175.7167 29 F 4.9198 8.1814 117.5796 55.6897 41.2431 172.6515 30 D 4.7096 8.6471 120.0794 52.3864 42.0198 177.0099 31 L 4.1834 8.2911 126.8930 57.4695 41.8966 177.7899 32 R 4.2820 7.5379 115.4825 55.8490 29.9866 175.9723 33 D 4.5348 7.7013 116.9146 54.8514 39.8130 174.3472 34 Y 4.7305 8.3229 124.0220 56.8287 38.2437 176.5466 35 R 4.4022 7.7313 115.4542 56.1667 33.2667 175.4666 36 N 4.5986 7.8274 119.5838 51.7742 37.9489 174.9396 37 V 3.5473 7.6998 123.8893 66.6591 31.8001 176.5245 38 E 3.9697 8.2342 116.1052 59.3804 29.4140 179.5177 39 V 3.7258 7.5817 118.3864 64.5970 31.6896 177.9660 40 L 4.0392 7.7857 120.4711 57.2714 41.4105 179.5054 41 K 4.0363 8.3372 119.7007 59.9421 31.9183 178.3511 42 R 3.8603 7.9159 116.8526 58.5767 29.9797 176.9325 43 F 4.6774 9.3018 117.8950 57.1667 39.3232 175.0649 44 L 5.0436 7.4663 119.7285 52.6952 45.2488 177.5602 45 S 4.4529 8.0042 116.3783 57.7689 64.0397 173.6032 46 E 4.0351 8.7915 118.7289 59.2139 29.5160 177.4709 47 T 4.6414 7.6761 115.0993 61.2011 70.6961 175.5196 48 G 3.8663 8.8387 112.8160 46.8692 0.0000 173.9072 49 K 4.0980 8.0810 120.9445 56.2976 32.5979 176.6246 50 I 3.9857 8.1604 123.8694 61.2917 37.8883 175.8433 51 L 4.3287 8.2056 125.5622 53.8857 42.4815 175.5010 52 P 4.3309 0.0000 0.0000 62.8107 32.0861 177.4480 53 R 4.1802 9.1481 123.1418 59.0522 30.1867 180.0180 54 R 4.4830 7.8243 112.5144 55.7974 29.1213 177.0694 55 R 4.6859 9.4348 118.0491 59.1078 36.1736 177.9533 56 T 3.9158 7.9024 106.3976 62.6848 68.8301 175.6200 57 G 3.9080 8.3778 108.4898 45.6480 0.0000 173.4478 58 L 4.4330 8.0869 120.3582 54.3060 42.9504 175.5511 59 S 4.6947 8.8893 114.7894 56.9790 64.9148 174.7900 60 A 3.9898 8.4122 120.8137 55.2338 17.7777 179.3895 61 K 3.7067 7.9813 117.1022 58.7209 32.3040 178.5027 62 E 4.0562 8.2160 119.3898 59.0942 29.2492 178.4199 63 Q 3.8705 8.1620 119.6163 59.2771 29.0300 179.4155 64 R 4.0116 7.5275 119.2532 59.0430 30.2252 178.4225 65 I 3.6557 7.2491 118.1972 64.3204 37.1541 177.6302 66 L 3.7700 8.1458 121.2280 58.8443 41.7735 178.3810 67 A 3.8630 7.8335 118.8954 56.0803 18.4150 179.5677 68 K 3.8977 8.2673 114.9753 59.7842 32.0913 179.7023 69 T 3.8827 8.2817 116.5269 66.7741 68.3428 176.1790 70 I 3.6622 8.3689 121.2340 65.1474 37.0399 178.1669 71 K 3.8689 8.1939 119.2848 59.8121 32.3914 179.1672 72 R 3.9871 7.8679 118.1966 59.3563 30.0802 178.4623 73 A 4.1890 8.1735 120.7537 55.1610 18.3859 179.5222 74 R 3.7938 8.0906 118.2653 58.8329 29.8356 179.2500 75 I 3.8803 7.1316 116.8447 64.4014 37.2125 178.2281 76 L 4.2214 7.6377 118.3649 56.0684 41.4912 178.2205 77 G 3.9641 7.8745 106.7718 45.1484 0.0000 174.3166 78 L 4.1918 7.5807 119.6129 55.8735 41.9883 176.8866 79 L 4.7968 7.3882 117.3039 51.7434 44.7801 173.8839 80 P 4.3891 0.0000 0.0000 62.6006 32.2453 176.3973 81 F 4.6093 8.4747 118.5173 59.8961 39.6698 176.0599 82 T 4.3843 7.2565 110.5107 61.4133 69.6489 171.5325 83 E 4.8323 8.5126 125.2670 54.3530 33.6035 175.2285 84 K 4.2395 8.3160 119.5330 55.3606 33.1152 177.1625 85 L 4.2274 8.2918 125.2291 54.1186 41.8410 178.0986 86 V 4.0305 8.0700 130.8699 62.1998 32.4913 175.8123 87 R 3.3520 9.0599 118.6136 55.2269 29.6509 175.8553 88 K 4.1307 8.8713 127.7753 57.9263 33.1725 174.2888 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 16 P 0.00 4.24 0.00 2.19 2.15 0.00 3.89 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 1.88 1.96 0.00 17 S 7.83 3.47 0.00 4.08 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 18 R 8.28 4.69 0.00 1.79 1.82 0.00 3.44 0.00 0.00 3.22 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.54 0.00 19 K 8.52 4.67 0.00 1.68 1.48 0.00 1.67 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.34 1.42 7.81 20 A 8.36 4.59 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 K 8.63 4.42 0.00 1.67 1.69 0.00 1.57 0.00 0.00 1.57 0.00 0.00 2.98 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.19 1.22 7.81 22 V 7.88 3.22 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 -0.38 0.00 0.00 0.69 0.00 0.00 23 K 8.06 4.18 0.00 1.99 1.84 0.00 2.16 0.00 0.00 1.75 0.00 0.00 3.09 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.53 1.51 7.81 24 A 7.90 4.15 1.30 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 0.00 0.00 25 T 7.69 4.17 4.14 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 1.14 0.00 0.00 26 L 6.69 4.37 0.00 1.64 1.70 0.75 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 27 G 8.44 4.24 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 0.00 0.00 0.00 28 E 8.96 4.32 0.00 2.00 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 0.00 2.32 2.38 0.00 29 F 8.18 4.92 0.00 3.12 3.01 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 0.00 30 D 8.65 4.71 0.00 2.77 2.62 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 31 L 8.29 4.18 0.00 1.60 1.67 0.82 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 32 R 7.54 4.28 0.00 1.92 2.12 0.00 3.12 0.00 0.00 3.02 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.55 0.00 33 D 7.70 4.53 0.00 2.94 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 34 Y 8.32 4.73 0.00 3.11 2.99 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 35 R 7.73 4.40 0.00 1.48 1.74 0.00 2.97 0.00 0.00 2.90 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.50 0.00 36 N 7.83 4.60 0.00 3.12 2.72 0.00 0.00 6.75 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 37 V 7.70 3.55 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.93 0.00 0.00 38 E 8.23 3.97 0.00 1.95 1.99 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 2.30 2.31 0.00 39 V 7.58 3.73 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.53 0.00 0.00 40 L 7.79 4.04 0.00 1.76 1.82 0.95 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.34 4.04 0.00 2.01 1.82 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.52 7.81 42 R 7.92 3.86 0.00 1.90 1.62 0.00 3.18 0.00 0.00 3.09 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.70 0.00 43 F 9.30 4.68 0.00 3.08 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 44 L 7.47 5.04 0.00 1.54 1.53 1.07 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 45 S 8.00 4.45 0.00 3.99 3.93 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 0.00 0.00 0.00 0.00 46 E 8.79 4.04 0.00 1.96 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 0.00 2.32 2.41 0.00 47 T 7.68 4.64 4.26 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 1.29 0.00 0.00 48 G 8.84 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 49 K 8.08 4.10 0.00 1.87 1.78 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.93 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.49 1.45 7.81 50 I 8.16 3.99 1.92 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.52 0.97 0.00 0.00 51 L 8.21 4.33 0.00 1.72 1.67 0.91 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.33 0.00 2.09 2.00 0.00 3.63 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.12 0.00 53 R 9.15 4.18 0.00 1.87 1.96 0.00 3.25 0.00 0.00 3.42 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.73 0.00 54 R 7.82 4.48 0.00 1.95 2.03 0.00 3.13 0.00 0.00 3.24 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.73 0.00 55 R 9.43 4.69 0.00 1.89 1.92 0.00 3.29 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.72 0.00 56 T 7.90 3.92 4.74 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 1.51 0.00 0.00 57 G 8.38 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 58 L 8.09 4.43 0.00 1.73 1.72 0.98 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 59 S 8.89 4.69 0.00 3.95 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 60 A 8.41 3.99 1.33 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 61 K 7.98 3.71 0.00 1.83 1.80 0.00 1.70 0.00 0.00 1.80 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.51 7.81 62 E 8.22 4.06 0.00 2.15 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 0.00 2.26 2.29 0.00 63 Q 8.16 3.87 0.00 2.25 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.80 0.00 0.00 0.00 0.00 0.00 2.40 2.48 0.00 64 R 7.53 4.01 0.00 1.98 2.01 0.00 3.14 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 65 I 7.25 3.66 1.92 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 1.39 0.65 0.89 0.00 0.00 66 L 8.15 3.77 0.00 1.56 1.82 0.29 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 67 A 7.83 3.86 1.40 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 0.00 0.00 68 K 8.27 3.90 0.00 1.81 1.87 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.49 7.81 69 T 8.28 3.88 4.44 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 1.35 0.00 0.00 70 I 8.37 3.66 2.03 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.80 0.92 0.00 0.00 71 K 8.19 3.87 0.00 1.76 1.97 0.00 1.76 0.00 0.00 1.67 0.00 0.00 3.05 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.56 1.67 7.81 72 R 7.87 3.99 0.00 2.03 2.14 0.00 2.74 0.00 0.00 2.37 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.45 0.00 73 A 8.17 4.19 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 R 8.09 3.79 0.00 1.78 0.69 0.00 3.19 0.00 0.00 3.28 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.57 0.00 75 I 7.13 3.88 2.10 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.75 0.97 0.00 0.00 76 L 7.64 4.22 0.00 1.87 1.77 1.16 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 77 G 7.87 3.96 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 0.00 0.00 0.00 78 L 7.58 4.19 0.00 1.63 1.71 0.91 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 79 L 7.39 4.80 0.00 1.55 1.44 0.91 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 80 P 0.00 4.39 0.00 2.18 2.02 0.00 3.71 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.97 0.00 81 F 8.47 4.61 0.00 3.11 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 82 T 7.26 4.38 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 83 E 8.51 4.83 0.00 1.95 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 2.21 2.24 0.00 84 K 8.32 4.24 0.00 1.75 1.73 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.82 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.43 7.81 85 L 8.29 4.23 0.00 1.59 1.62 0.92 0.95 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 86 V 8.07 4.03 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 0.85 0.00 0.00 0.98 0.00 0.00 87 R 9.06 3.35 0.00 1.94 1.16 0.00 3.57 0.00 0.00 3.15 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.53 0.00 88 K 8.87 4.13 0.00 1.86 1.74 0.00 1.81 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.32 1.41 7.81