NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 I 4.0793 8.0244 121.4538 61.4733 37.5972 175.2764 4 K 3.9838 8.3344 127.3196 54.9457 33.3876 169.7447 5 V 4.1653 8.1717 126.2142 61.0313 34.1819 174.5875 6 R 4.7263 7.7177 123.7905 56.2209 32.4101 173.2458 7 E 4.7349 8.4963 123.9619 54.8025 33.6698 174.5880 8 N 4.4535 8.5338 120.3996 53.7707 40.1082 172.3435 9 E 3.2973 8.0711 124.4158 54.4624 25.5137 170.5925 10 P 3.8258 0.0000 0.0000 63.0434 31.4211 176.4899 11 F 4.6431 8.0133 114.0588 56.5387 40.1983 174.2991 12 D 4.7780 8.8003 125.7704 53.3804 39.0388 176.3984 13 V 3.5751 7.0051 120.0141 61.1799 34.0463 180.1971 14 A 4.4648 8.5831 126.1145 51.3870 18.8037 178.0417 15 L 3.1444 8.6113 126.5163 54.8316 41.7519 175.0292 16 R 4.1708 7.6267 115.8714 59.4586 30.6425 178.1853 17 R 4.4099 8.0085 111.5528 56.8021 29.8594 178.0766 18 F 4.1938 8.0864 117.6266 60.6423 39.0564 177.0463 19 K 4.2559 7.7612 117.0459 57.9924 32.2396 177.1031 20 R 4.3473 7.3534 118.9288 55.7701 30.2337 177.5608 21 S 4.7779 6.7917 106.7154 55.6510 63.9484 173.3923 22 C 5.6942 7.4402 127.6308 59.8046 31.7871 175.1051 23 E 4.6319 8.5315 117.0076 55.8290 33.1509 178.3252 24 K 3.4941 9.4867 131.5095 57.6758 32.0463 173.8977 25 A 4.5045 8.3499 119.0808 52.8129 15.3359 176.1563 26 G 4.1819 7.3206 111.6485 45.4948 0.0000 172.7641 27 V 3.8986 7.8759 119.8186 62.4070 31.7446 177.5887 28 L 4.3032 7.7805 119.5339 57.1237 41.9169 178.2224 29 A 3.9835 7.8356 122.0936 54.9014 18.5353 178.6600 30 E 4.0691 8.5319 117.9805 60.2439 29.7299 178.2558 31 V 3.5856 8.3209 118.1523 60.8979 31.6390 181.6767 32 R 2.9814 8.1191 117.7520 57.4839 32.8629 180.2362 33 R 4.2742 8.3443 124.4226 55.6691 31.7009 175.4390 34 R 4.2735 8.2287 118.0194 57.4183 31.2820 175.7585 35 E 4.3996 8.1135 121.1687 56.4384 27.1164 176.1364 36 F 4.3504 7.2090 127.7818 57.2472 48.1100 176.1822 37 Y 3.7249 8.1365 121.1114 59.4151 35.1691 170.8019 38 E 4.3883 9.3561 128.2218 58.9982 31.2649 178.1924 39 K 4.0936 8.3224 119.4430 58.8136 31.5008 176.8728 40 P 3.7984 0.0000 0.0000 65.5750 31.5019 178.0867 41 T 4.1034 7.8271 113.7153 64.3573 67.3195 174.9540 42 T 4.2054 7.5269 110.8713 64.2134 69.5376 176.6195 43 E 3.9883 8.3322 122.9216 57.7565 29.1735 178.7934 44 R 4.0501 9.2686 118.3735 57.8950 30.0101 177.6574 45 K 4.4069 7.6925 115.9896 56.2557 32.6954 177.0531 46 R 4.3961 7.4680 119.9622 57.6360 31.2050 177.4308 47 A 4.1198 7.9718 120.2996 54.3382 18.0632 179.6583 48 K 3.9569 7.3871 113.8918 59.9178 32.7609 178.9159 49 A 4.0877 7.6331 121.2542 54.8127 18.1441 178.9820 50 S 4.2779 8.0574 110.9815 61.0099 63.3540 174.8003 51 A 4.6624 7.2233 123.7117 51.7087 14.9425 175.9605 52 V 4.4386 7.1245 118.5784 62.0869 37.5390 175.7449 53 K 3.9642 7.6484 124.1268 56.9396 33.0846 173.9242 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 3 I 8.02 4.08 1.88 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 1.32 1.08 0.93 0.00 0.00 4 K 8.33 3.98 0.00 1.74 1.67 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.33 1.55 7.81 5 V 8.17 4.17 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 0.82 0.00 0.00 0.92 0.00 0.00 6 R 7.72 4.73 0.00 1.81 1.80 0.00 3.25 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.42 0.00 7 E 8.50 4.73 0.00 2.11 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 0.00 2.31 2.33 0.00 8 N 8.53 4.45 0.00 2.65 2.66 0.00 0.00 7.12 7.65 0.00 0.00 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 E 8.07 3.30 0.00 1.86 1.54 0.00 0.00 0.00 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 2.25 0.00 10 P 0.00 3.83 0.00 2.07 2.01 0.00 3.59 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.90 0.00 11 F 8.01 4.64 0.00 2.94 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 12 D 8.80 4.78 0.00 2.74 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 13 V 7.01 3.58 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.42 0.00 0.00 0.72 0.00 0.00 14 A 8.58 4.46 1.20 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 0.00 0.00 15 L 8.61 3.14 0.00 1.69 1.61 -0.03 0.77 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 16 R 7.63 4.17 0.00 2.04 1.97 0.00 3.10 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 17 R 8.01 4.41 0.00 2.03 2.22 0.00 2.96 0.00 0.00 3.36 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.76 0.00 18 F 8.09 4.19 0.00 3.20 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 19 K 7.76 4.26 0.00 1.81 1.90 0.00 1.62 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.50 1.46 7.81 20 R 7.35 4.35 0.00 1.86 2.09 0.00 3.32 0.00 0.00 3.29 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.58 0.00 21 S 6.79 4.78 0.00 3.93 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 C 7.44 5.69 0.00 3.12 3.09 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 23 E 8.53 4.63 0.00 1.93 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.34 0.00 24 K 9.49 3.49 0.00 1.89 1.80 0.00 1.70 0.00 0.00 1.83 0.00 0.00 2.92 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.46 1.37 7.81 25 A 8.35 4.50 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 26 G 7.32 4.18 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 0.00 0.00 0.00 27 V 7.88 3.90 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 0.86 0.00 0.00 0.98 0.00 0.00 28 L 7.78 4.30 0.00 1.79 1.67 0.93 0.81 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 29 A 7.84 3.98 1.31 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 0.00 0.00 0.00 30 E 8.53 4.07 0.00 2.13 2.10 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 2.41 2.38 0.00 31 V 8.32 3.59 2.24 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 0.85 0.00 0.00 0.99 0.00 0.00 32 R 8.12 2.98 0.00 1.88 1.96 0.00 3.27 0.00 0.00 3.22 7.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.64 0.00 33 R 8.34 4.27 0.00 1.78 1.72 0.00 3.23 0.00 0.00 3.20 7.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.58 0.00 34 R 8.23 4.27 0.00 1.84 1.96 0.00 2.68 0.00 0.00 2.94 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.58 0.00 35 E 8.11 4.40 0.00 1.31 1.12 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 0.00 2.25 2.33 0.00 36 F 7.21 4.35 0.00 2.77 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 37 Y 8.14 3.72 0.00 3.23 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 E 9.36 4.39 0.00 2.30 2.29 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 2.39 2.58 0.00 39 K 8.32 4.09 0.00 2.33 2.25 0.00 1.68 0.00 0.00 1.90 0.00 0.00 3.01 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.64 1.64 7.81 40 P 0.00 3.80 0.00 1.92 1.39 0.00 3.90 0.00 0.00 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.05 0.00 41 T 7.83 4.10 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 1.26 0.00 0.00 42 T 7.53 4.21 4.25 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 43 E 8.33 3.99 0.00 2.22 1.98 0.00 0.00 0.00 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 2.37 0.00 44 R 9.27 4.05 0.00 1.94 1.86 0.00 3.23 0.00 0.00 3.08 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.60 0.00 45 K 7.69 4.41 0.00 1.92 1.80 0.00 1.86 0.00 0.00 1.62 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.37 1.40 7.81 46 R 7.47 4.40 0.00 1.92 2.00 0.00 3.36 0.00 0.00 3.34 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 47 A 7.97 4.12 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 48 K 7.39 3.96 0.00 1.94 2.07 0.00 1.49 0.00 0.00 1.69 0.00 0.00 3.10 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.40 1.51 7.81 49 A 7.63 4.09 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 50 S 8.06 4.28 0.00 3.89 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 51 A 7.22 4.66 1.31 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 0.00 0.00 0.00 52 V 7.12 4.44 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.92 0.00 0.00 53 K 7.65 3.96 0.00 1.71 1.64 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.81 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.22 1.37 7.81