NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3126 8.2644 123.5774 51.4927 21.6314 176.8090 2 D 4.6281 7.3404 111.9121 52.0643 41.0954 171.5511 3 T 4.9611 8.6056 117.3549 61.7360 72.0041 173.9714 4 M 4.4851 9.1529 125.9004 53.7804 34.6764 174.8709 5 T 4.8366 8.2221 120.1673 61.9098 70.5884 173.7779 6 F 4.8855 9.0233 126.9261 56.1648 40.5563 175.8459 7 T 4.4785 8.7391 114.4254 61.9009 69.8314 173.9223 8 A 4.6857 8.3288 124.9707 50.8764 22.2310 177.6827 9 K 3.9995 8.8252 122.1356 58.9847 32.3196 177.6305 10 N 4.6581 8.4846 114.0560 51.9248 37.9253 173.2042 11 G 3.7836 7.9237 107.0075 44.0736 0.0000 173.9327 12 N 4.9174 8.9027 122.5752 53.4645 40.3710 173.9487 13 V 4.9793 8.7608 120.7404 60.6622 34.3221 174.2665 14 T 4.9747 8.7181 124.6102 62.1022 70.3811 173.8766 15 F 4.9225 9.3000 128.7105 56.2524 42.4902 173.8141 16 D 4.7222 8.5444 126.7267 53.0481 40.7443 175.7440 17 H 3.4296 8.1493 126.6760 58.6482 29.8075 176.6277 18 K 4.2409 7.7841 120.7871 58.8652 32.4697 178.0153 19 K 3.9998 8.3394 119.7879 59.9582 32.0258 178.4380 20 H 4.1480 8.1846 116.3465 58.9695 28.5027 177.8476 21 Q 3.9986 8.3043 120.0217 59.1044 28.2276 178.8426 22 T 3.9905 7.6036 116.0979 65.4777 68.5761 175.8968 23 I 4.4444 7.6608 112.3362 59.9949 40.4015 175.9574 24 V 4.2957 7.8338 122.1151 60.5081 30.6400 173.2526 25 P 4.7563 0.0000 0.0000 62.2826 31.7369 176.7244 26 D 4.6125 8.0894 118.5551 52.6530 43.1672 175.2974 27 C 4.0758 9.0135 125.5999 63.2199 28.0932 176.0399 28 A 4.7641 8.3981 123.2392 54.3389 17.6181 179.6177 29 V 3.5544 7.5865 116.5698 66.1098 31.6095 177.1357 30 C 4.5136 8.0134 113.4476 60.3561 29.1391 174.4623 31 H 4.8755 8.3119 115.4696 55.1505 30.2757 175.1327 32 G 3.9966 8.4896 110.7479 46.8065 0.0000 175.9133 33 K 4.2194 8.7056 120.5540 57.9814 32.4232 177.2688 34 T 4.4625 7.3018 114.8690 60.1378 69.2116 170.9519 35 P 3.9385 0.0000 0.0000 61.3734 32.4389 177.6159 36 G 3.7944 7.8931 109.2662 45.4130 0.0000 172.1095 37 K 4.0027 8.2321 121.5934 56.7017 32.8854 176.6008 38 I 4.2603 8.0327 122.8886 59.2042 37.5538 174.9982 39 E 4.0748 8.6699 127.0485 57.8576 29.6805 177.2270 40 G 3.9508 8.9837 114.2071 44.9135 0.0000 173.2118 41 F 4.0134 7.9732 122.1713 57.5797 40.2131 175.4371 42 G 3.5333 6.3926 111.9941 44.9854 0.0000 172.0743 43 K 3.4476 7.9757 119.1623 59.7151 32.0342 179.6964 44 E 3.8211 7.7798 117.9482 59.7083 29.4655 179.1901 45 M 3.9549 7.6414 117.9536 58.2137 32.0109 178.5237 46 A 3.8684 7.6173 121.1670 55.3597 18.2968 179.1525 47 H 4.5018 8.2696 113.4176 57.9448 29.5595 176.9950 48 G 4.1674 8.1016 113.1944 45.0915 0.0000 177.3156 49 K 4.1175 8.5889 121.7621 58.9533 32.2377 179.0560 50 S 4.1341 7.8678 114.3203 60.6554 62.4460 173.6691 51 C 4.5168 6.9240 114.4013 59.7971 31.7482 175.8958 52 K 4.0106 8.8850 121.4535 59.7769 32.2168 179.6968 53 G 3.5888 8.4923 106.5459 47.5100 0.0000 175.3290 54 C 4.1460 7.9439 120.4746 62.6682 31.5924 175.1080 55 H 4.9549 7.7576 119.2212 58.4714 28.0626 177.6801 56 E 3.9811 8.4889 120.4957 59.4171 29.1227 179.0473 57 E 4.0317 8.0887 117.9950 59.4035 29.8870 178.0722 58 M 4.2707 8.3312 115.9573 54.7199 32.5294 176.1683 59 K 3.9411 7.6544 117.6574 56.6696 30.8627 175.2026 60 K 4.4489 7.9428 116.0922 56.1580 36.2101 177.4223 61 G 4.0281 8.7460 108.4998 43.9462 0.0000 171.0114 62 P 4.7256 0.0000 0.0000 62.9202 31.6061 176.3564 63 T 4.5714 8.9856 111.1323 60.8112 70.6369 174.0209 64 K 4.5893 7.9458 121.7011 54.6703 34.4013 176.7262 65 C 4.0448 8.9301 120.0140 63.2456 28.0751 176.8504 66 G 3.6963 7.9880 105.5114 47.7390 0.0000 174.4686 67 E 4.1390 8.1177 119.4080 58.9720 29.8159 177.8565 68 C 4.3111 8.1923 115.6913 61.9290 29.0779 172.9483 69 H 4.9630 8.2041 118.7398 54.3507 28.6608 175.5565 70 K 4.4832 8.5766 124.6563 54.2037 33.4900 176.9430 71 K 4.2674 8.5791 123.6955 56.5542 31.7279 177.4243 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 1 A 8.26 4.31 1.25 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 0.00 0.00 0.00 2 D 7.34 4.63 0.00 2.77 2.46 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 0.00 3 T 8.61 4.96 4.20 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 1.24 0.00 0.00 4 M 9.15 4.49 0.00 1.38 1.88 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.38 0.00 5 T 8.22 4.84 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 1.22 0.00 0.00 6 F 9.02 4.89 0.00 3.05 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 7 T 8.74 4.48 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 1.25 0.00 0.00 8 A 8.33 4.69 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 9 K 8.83 4.00 0.00 1.76 1.90 0.00 1.74 0.00 0.00 1.76 0.00 0.00 2.83 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.44 7.81 10 N 8.48 4.66 0.00 2.76 2.85 0.00 0.00 6.13 7.00 0.00 0.00 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 G 7.92 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.90 4.92 0.00 2.74 2.81 0.00 0.00 6.53 7.68 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 13 V 8.76 4.98 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 1.45 0.00 0.00 0.88 0.00 0.00 14 T 8.72 4.97 4.30 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 1.24 0.00 0.00 15 F 9.30 4.92 0.00 3.25 3.18 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 16 D 8.54 4.72 0.00 2.68 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 3.43 0.00 3.07 3.40 0.00 5.67 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 18 K 7.78 4.24 0.00 1.73 1.90 0.00 1.63 0.00 0.00 1.83 0.00 0.00 2.94 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.31 7.81 19 K 8.34 4.00 0.00 1.94 1.82 0.00 1.65 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.43 7.81 20 H 8.18 4.15 0.00 3.30 3.44 0.00 5.87 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 21 Q 8.30 4.00 0.00 2.19 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.82 0.00 0.00 0.00 0.00 0.00 2.31 2.36 0.00 22 T 7.60 3.99 4.34 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 1.19 0.00 0.00 23 I 7.66 4.44 1.86 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.61 0.94 0.00 0.00 24 V 7.83 4.30 2.25 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 1.05 0.00 0.00 1.00 0.00 0.00 25 P 0.00 4.76 0.00 2.22 2.12 0.00 3.77 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 26 D 8.09 4.61 0.00 2.72 2.54 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 0.00 0.00 0.00 27 C 9.01 4.08 0.00 3.04 3.07 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 0.00 28 A 8.40 4.76 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 29 V 7.59 3.55 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.98 0.00 0.00 30 C 8.01 4.51 0.00 2.88 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 31 H 8.31 4.88 0.00 3.32 3.42 0.00 5.77 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 G 8.49 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 0.00 0.00 0.00 33 K 8.71 4.22 0.00 1.77 1.88 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.45 1.41 7.81 34 T 7.30 4.46 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 1.21 0.00 0.00 35 P 0.00 3.94 0.00 1.97 1.89 0.00 3.76 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.09 0.00 36 G 7.89 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 37 K 8.23 4.00 0.00 1.78 1.79 0.00 1.77 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.43 7.81 38 I 8.03 4.26 1.82 0.00 0.00 0.60 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 0.74 0.97 0.00 0.00 39 E 8.67 4.07 0.00 1.94 1.90 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 2.31 2.28 0.00 40 G 8.98 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 41 F 7.97 4.01 0.00 3.06 2.96 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 42 G 6.39 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.98 3.45 0.00 1.65 1.65 0.00 1.65 0.00 0.00 1.74 0.00 0.00 3.19 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.26 1.23 7.81 44 E 7.78 3.82 0.00 1.92 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 2.33 2.30 0.00 45 M 7.64 3.95 0.00 2.01 1.79 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.55 0.00 46 A 7.62 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 H 8.27 4.50 0.00 3.09 3.30 0.00 5.66 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 G 8.10 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.59 4.12 0.00 1.78 1.86 0.00 1.68 0.00 0.00 1.81 0.00 0.00 2.88 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.40 7.81 50 S 7.87 4.13 0.00 4.02 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 51 C 6.92 4.52 0.00 3.17 2.65 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 0.00 0.00 0.00 0.00 52 K 8.88 4.01 0.00 1.86 1.88 0.00 1.59 0.00 0.00 1.80 0.00 0.00 3.13 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.44 1.47 7.81 53 G 8.49 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 C 7.94 4.15 0.00 3.01 3.04 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 55 H 7.76 4.95 0.00 3.37 3.49 0.00 5.70 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 56 E 8.49 3.98 0.00 2.16 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 2.34 2.54 0.00 57 E 8.09 4.03 0.00 2.03 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 2.33 2.41 0.00 58 M 8.33 4.27 0.00 2.04 2.24 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.75 0.00 59 K 7.65 3.94 0.00 1.84 1.87 0.00 1.70 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.54 7.81 60 K 7.94 4.45 0.00 1.69 1.63 0.00 1.66 0.00 0.00 1.65 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.55 1.53 7.81 61 G 8.75 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 0.00 0.00 0.00 62 P 0.00 4.73 0.00 2.24 2.10 0.00 3.30 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.00 0.00 63 T 8.99 4.57 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 1.31 0.00 0.00 64 K 7.95 4.59 0.00 1.81 1.75 0.00 1.71 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.46 1.39 7.81 65 C 8.93 4.04 0.00 3.00 3.02 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 0.00 0.00 0.00 0.00 66 G 7.99 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 67 E 8.12 4.14 0.00 2.15 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.30 0.00 68 C 8.19 4.31 0.00 2.97 2.91 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 69 H 8.20 4.96 0.00 3.16 3.48 0.00 5.57 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 K 8.58 4.48 0.00 1.66 1.78 0.00 1.75 0.00 0.00 1.85 0.00 0.00 3.15 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.60 1.56 7.81 71 K 8.58 4.27 0.00 1.66 1.74 0.00 1.79 0.00 0.00 1.75 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.46 1.54 7.81