NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 A 4.3094 8.3645 123.5824 50.7510 20.8273 177.3517 1 N 4.8703 8.0789 114.7388 49.4445 39.4391 175.8654 2 Q 4.2518 8.4815 124.0054 56.5398 30.9083 175.1770 3 A 4.7380 8.6469 128.4872 51.2401 21.0755 175.9200 4 S 5.1932 8.9553 116.6897 56.3096 67.2582 173.5041 5 V 4.3319 8.4751 122.0173 62.8292 32.3607 174.9757 6 V 4.8980 8.5526 127.3370 60.5983 34.8741 174.3587 7 A 4.4869 8.8556 129.7863 52.3574 18.8134 177.4318 8 N 4.7541 9.2575 122.0041 54.4229 39.5562 174.1332 9 Q 4.5942 7.5157 113.8335 55.5429 31.5824 173.5120 10 L 4.1628 8.5483 122.3653 55.5392 42.8649 175.9649 11 I 4.3764 8.6692 128.0060 58.9044 38.8793 173.6682 12 P 4.6166 0.0000 0.0000 62.0424 32.6195 176.1263 13 I 3.8684 8.3061 122.1126 62.9894 38.1897 175.5726 14 N 4.4151 8.8084 122.7637 54.0304 36.9394 174.5432 15 T 4.1456 7.6594 116.0794 63.4159 69.7175 173.5527 16 A 4.6786 8.4945 127.8343 51.3930 19.4081 177.3066 17 L 4.1973 9.1854 124.4102 55.1993 42.9279 176.7256 18 T 4.8485 8.3308 112.6352 59.4490 72.2448 175.0528 19 L 4.0278 8.6029 121.7844 57.8669 41.7745 180.2623 20 V 3.7276 7.7295 116.6389 64.2859 31.6107 176.7096 21 M 4.2344 8.1304 119.5164 56.2247 32.3247 175.0809 22 M 5.2270 7.8285 118.6101 53.4680 34.6113 175.5294 23 R 4.6315 8.9497 120.9442 54.4950 33.1877 174.5178 24 S 5.2192 8.3553 112.9881 56.6805 64.7629 172.7809 25 E 4.7251 8.9329 124.6562 55.0881 34.5778 174.7505 26 V 4.3471 8.3631 123.0126 62.3601 31.6516 175.4416 27 V 4.5962 8.2780 120.1514 59.6648 35.2897 175.3727 28 T 4.5961 8.0963 117.0232 60.8588 71.4538 172.7455 29 P 4.4259 0.0000 0.0000 62.4339 32.0297 175.9637 30 V 3.9090 8.1651 119.1819 62.7097 32.8338 176.1674 31 G 4.3276 8.3975 114.9501 45.6457 0.0000 173.0837 32 I 3.9445 8.4278 124.3735 60.6510 38.3694 174.3775 33 P 4.7177 0.0000 0.0000 62.5877 32.0539 177.5148 34 A 4.0276 9.1698 126.2004 55.0171 18.0229 179.9174 35 E 4.0271 8.2180 114.9925 59.2518 29.9419 177.9973 36 D 4.6928 8.1972 118.3507 54.5554 40.8881 177.8759 37 I 3.7017 7.4697 121.5615 64.1034 36.9443 175.6308 38 P 4.4205 0.0000 0.0000 66.0929 30.9666 178.8370 39 R 4.0616 7.9343 114.4475 59.1233 30.2458 178.7063 40 L 4.2117 7.8704 118.4072 56.1284 41.5084 177.6197 41 V 3.8353 6.7747 117.8621 64.6220 31.6189 176.2847 42 G 3.9924 9.1916 116.0862 45.4641 0.0000 173.0988 43 M 4.4944 8.0891 120.0844 54.6758 33.9072 175.4577 44 Q 5.6329 8.7646 120.6076 54.2453 31.2955 175.1204 45 V 4.5136 8.2738 122.5555 61.0611 33.2361 175.7935 46 N 4.8986 8.8706 121.0974 52.7209 37.8941 174.4595 47 R 4.7422 7.5481 113.9193 54.9640 32.4262 174.4554 48 A 4.3228 8.5779 122.3041 52.1315 19.4389 177.2700 49 V 4.2393 8.7785 122.1966 60.2717 33.8159 173.3947 50 P 4.6593 0.0000 0.0000 61.9720 32.6347 175.9916 51 L 4.0265 8.4672 123.8500 57.1039 42.2235 177.8097 52 G 3.9914 8.9428 113.6934 45.6153 0.0000 173.8154 53 T 4.2336 7.6137 117.0909 63.4919 69.8939 174.1000 54 T 4.4959 8.3102 121.8509 63.2473 69.6206 174.2947 55 L 4.2025 9.0170 127.4680 54.7027 42.7674 176.5480 56 M 4.6557 8.4401 123.5622 53.0082 33.6492 175.3308 57 P 4.0132 0.0000 0.0000 65.8387 31.5796 178.1998 58 D 4.5908 7.9695 114.7579 55.0490 39.7756 176.6928 59 M 4.3283 8.1930 119.8859 56.1999 32.8762 175.6259 60 V 4.6232 7.2407 119.0668 60.3720 33.1238 174.8407 61 K 4.2845 8.8733 128.5266 57.7841 32.1637 177.7113 62 G 3.9506 8.9994 112.1593 45.2997 0.0000 172.5792 63 Y 4.1579 7.6779 121.0221 57.0443 39.3030 174.6863 64 A 4.3062 7.5516 128.6387 50.5554 22.3478 175.5681 65 A 4.0312 8.0314 124.3556 52.1940 19.3838 175.7404 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 8.36 4.31 1.24 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 1 N 8.08 4.87 0.00 2.79 2.63 0.00 0.00 6.57 6.57 0.00 0.00 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 Q 8.48 4.25 0.00 2.06 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.83 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 3 A 8.65 4.74 1.24 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 4 S 8.96 5.19 0.00 3.69 3.72 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 5 V 8.48 4.33 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.90 0.00 0.00 6 V 8.55 4.90 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 1.10 0.00 0.00 0.92 0.00 0.00 7 A 8.86 4.49 1.32 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 0.00 0.00 0.00 8 N 9.26 4.75 0.00 2.69 2.95 0.00 0.00 7.09 7.11 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 9 Q 7.52 4.59 0.00 2.04 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.69 0.00 0.00 0.00 0.00 0.00 2.20 2.32 0.00 10 L 8.55 4.16 0.00 1.67 1.62 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 11 I 8.67 4.38 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.70 0.90 0.00 0.00 12 P 0.00 4.62 0.00 2.07 1.97 0.00 3.61 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.09 0.00 13 I 8.31 3.87 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.81 0.91 0.00 0.00 14 N 8.81 4.42 0.00 2.95 3.03 0.00 0.00 7.04 7.64 0.00 0.00 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 T 7.66 4.15 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 1.21 0.00 0.00 16 A 8.49 4.68 1.23 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 0.00 0.00 0.00 17 L 9.19 4.20 0.00 1.74 1.61 0.96 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 18 T 8.33 4.85 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 1.21 0.00 0.00 19 L 8.60 4.03 0.00 1.73 1.77 0.92 0.78 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 20 V 7.73 3.73 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 0.72 0.00 0.00 0.93 0.00 0.00 21 M 8.13 4.23 0.00 2.11 2.25 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.50 0.00 22 M 7.83 5.23 0.00 1.87 1.95 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.42 0.00 23 R 8.95 4.63 0.00 1.84 2.05 0.00 2.70 0.00 0.00 3.09 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.53 0.00 24 S 8.36 5.22 0.00 3.85 3.74 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 25 E 8.93 4.73 0.00 1.92 1.75 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 2.23 2.25 0.00 26 V 8.36 4.35 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 0.78 0.00 0.00 0.97 0.00 0.00 27 V 8.28 4.60 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 0.80 0.00 0.00 0.92 0.00 0.00 28 T 8.10 4.60 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 1.21 0.00 0.00 29 P 0.00 4.43 0.00 2.17 2.06 0.00 3.75 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 30 V 8.17 3.91 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 0.80 0.00 0.00 0.93 0.00 0.00 31 G 8.40 4.33 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 0.00 32 I 8.43 3.94 1.70 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.47 0.75 0.00 0.00 33 P 0.00 4.72 0.00 2.11 1.99 0.00 3.84 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.13 0.00 34 A 9.17 4.03 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 35 E 8.22 4.03 0.00 2.15 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 0.00 2.30 2.44 0.00 36 D 8.20 4.69 0.00 2.98 2.86 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.47 3.70 1.88 0.00 0.00 0.86 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 0.56 0.91 0.00 0.00 38 P 0.00 4.42 0.00 2.16 2.13 0.00 3.70 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.21 0.00 39 R 7.93 4.06 0.00 1.99 2.05 0.00 3.21 0.00 0.00 3.23 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.75 0.00 40 L 7.87 4.21 0.00 1.90 1.72 0.87 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 41 V 6.77 3.84 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 1.02 0.00 0.00 42 G 9.19 3.99 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 0.00 43 M 8.09 4.49 0.00 2.02 2.10 0.00 0.00 0.00 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.90 2.55 0.00 44 Q 8.76 5.63 0.00 2.01 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 7.04 0.00 0.00 0.00 0.00 0.00 2.57 2.19 0.00 45 V 8.27 4.51 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 0.87 0.00 0.00 0.96 0.00 0.00 46 N 8.87 4.90 0.00 2.72 2.95 0.00 0.00 6.77 8.11 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 47 R 7.55 4.74 0.00 1.78 1.89 0.00 3.02 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.63 0.00 48 A 8.58 4.32 1.24 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 49 V 8.78 4.24 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 1.04 0.00 0.00 0.91 0.00 0.00 50 P 0.00 4.66 0.00 2.10 1.95 0.00 3.66 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.08 0.00 51 L 8.47 4.03 0.00 1.57 1.59 1.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 52 G 8.94 3.99 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 0.00 53 T 7.61 4.23 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 1.19 0.00 0.00 54 T 8.31 4.50 4.22 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 55 L 9.02 4.20 0.00 1.47 1.48 0.85 0.66 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 56 M 8.44 4.66 0.00 2.07 1.99 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.61 0.00 57 P 0.00 4.01 0.00 2.26 2.40 0.00 3.58 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.09 0.00 58 D 7.97 4.59 0.00 2.80 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 59 M 8.19 4.33 0.00 2.08 2.21 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 2.56 2.45 0.00 60 V 7.24 4.62 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 1.05 0.00 0.00 0.82 0.00 0.00 61 K 8.87 4.28 0.00 1.77 1.76 0.00 1.79 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.50 7.81 62 G 9.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 Y 7.68 4.16 0.00 2.96 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 64 A 7.55 4.31 1.06 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 0.00 0.00 0.00 0.00 0.00 0.00 65 A 8.03 4.03 1.11 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 0.00 0.00