NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3938 8.2893 120.3262 54.0791 32.1497 174.2289 2 P 4.2995 0.0000 0.0000 62.1388 32.8999 174.5046 3 R 4.2727 9.3193 119.4280 56.2681 31.9113 177.1672 4 L 5.0460 8.9757 122.2230 53.0438 44.1212 175.6310 5 K 4.8146 9.5784 126.8417 54.6657 32.6004 173.8012 6 V 4.2309 8.4933 126.5619 61.5719 33.1829 174.2759 7 K 4.8739 8.5905 128.1606 53.5765 35.6566 174.2023 8 L 4.7427 8.3762 128.0798 54.2907 42.8279 176.8315 9 V 4.9701 8.7494 118.7161 59.9758 34.5211 176.0127 10 K 4.5513 7.8750 120.3161 53.9826 34.2214 175.3880 11 S 4.3427 8.5395 120.7417 57.6567 63.1736 172.2673 12 P 4.6926 0.0000 0.0000 64.4906 31.7382 173.7996 13 I 3.9500 7.0103 121.0634 62.2348 36.3087 174.3407 14 G 3.4838 8.2100 110.4147 45.0891 0.0000 171.0941 15 Y 4.5787 8.1194 118.3159 55.2562 40.0998 174.2040 16 P 4.3878 0.0000 0.0000 62.6344 33.4411 177.4249 17 K 3.9479 8.6893 120.7459 59.8924 32.1119 178.3503 18 D 4.4103 8.1974 118.7191 57.2762 38.8467 178.7130 19 Q 3.7372 8.2579 119.5491 58.2634 28.6837 179.4632 20 K 4.0097 7.8745 119.3473 59.3715 32.1606 179.3031 21 A 4.0337 8.1487 120.8114 54.7731 18.2044 179.3088 22 A 3.8909 8.5991 120.3215 55.6360 18.5188 179.6976 23 L 3.9978 7.6888 117.1114 57.9864 41.4887 179.9113 24 K 4.1631 7.9473 118.3498 59.0381 32.1252 178.6807 25 A 4.1191 8.1423 121.0391 55.2492 18.5001 179.3836 26 L 4.1301 8.1238 116.5798 56.2367 41.6174 178.4751 27 G 3.9613 8.3692 106.7112 45.3889 0.0000 173.1396 28 L 5.1069 7.5867 119.2381 52.6750 41.0101 176.3149 29 R 4.0647 7.9801 125.5025 56.9571 30.6626 178.8255 30 R 4.3471 7.4792 117.7538 54.7948 31.7373 176.0542 31 L 4.1610 8.1362 119.6671 55.3112 43.2498 175.4621 32 Q 3.4457 8.7473 119.1376 57.3928 26.5883 173.5236 33 Q 4.9256 7.6410 117.3699 54.2155 31.8883 174.7230 34 E 4.2797 8.8241 125.9965 56.5392 30.9376 176.5568 35 R 4.3258 8.2989 120.3828 55.7861 34.0464 173.3430 36 V 4.9597 8.5025 126.8927 61.3103 33.4514 174.6734 37 L 4.8413 9.2005 126.5225 52.8737 46.7682 175.3597 38 E 4.2750 8.7491 121.2195 56.0631 30.7596 177.2866 39 D 4.8936 8.0503 124.0646 54.5927 40.6245 176.5126 40 T 4.1004 8.3855 112.3000 60.7713 68.5639 172.7905 41 P 4.2412 0.0000 0.0000 65.9944 30.6889 178.3826 42 A 3.9666 7.7951 120.2842 54.9785 18.2218 179.7168 43 I 3.6661 7.6688 117.6461 64.5048 37.1885 178.4574 44 R 3.9974 8.1004 119.0772 59.3969 29.7260 178.9473 45 G 3.8164 8.1357 104.2041 48.1408 0.0000 175.0994 46 N 4.4842 7.8492 118.2824 56.0167 38.7410 177.5361 47 V 3.5597 7.9617 119.8929 66.1414 31.3860 177.5557 48 E 3.9117 9.0222 119.5581 59.4580 29.3541 179.0021 49 K 4.1293 7.7464 116.8114 58.7192 32.1464 178.6915 50 V 4.2391 7.1169 110.1980 60.7537 31.7257 177.1179 51 A 3.9934 8.3976 125.8959 55.8264 18.1244 180.1276 52 H 4.5388 8.3116 107.5863 56.9852 28.9962 175.4744 53 L 4.4496 8.7365 121.3892 55.0228 44.0753 176.5803 54 V 4.8746 7.3241 109.0833 59.6190 35.2101 175.8107 55 R 4.5022 8.9093 120.7277 54.5599 32.2529 176.0055 56 V 4.3996 8.3576 124.0246 62.7283 32.9658 174.9570 57 E 4.7699 8.4339 122.1571 54.9406 34.3813 174.3885 58 V 4.4739 8.3687 123.5481 62.0471 33.0892 175.8634 59 V 4.0761 9.2404 127.9692 63.0305 31.7265 174.9958 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 M 8.29 4.39 0.00 2.10 2.11 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.48 0.00 2 P 0.00 4.30 0.00 2.36 2.23 0.00 3.69 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.06 0.00 3 R 9.32 4.27 0.00 1.82 1.88 0.00 3.08 0.00 0.00 3.16 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 4 L 8.98 5.05 0.00 1.69 1.54 0.96 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 5 K 9.58 4.81 0.00 1.71 1.67 0.00 1.62 0.00 0.00 1.57 0.00 0.00 3.23 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.34 7.81 6 V 8.49 4.23 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 0.83 0.00 0.00 0.92 0.00 0.00 7 K 8.59 4.87 0.00 1.87 1.58 0.00 1.89 0.00 0.00 1.67 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.30 1.17 7.81 8 L 8.38 4.74 0.00 1.75 1.51 0.91 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 9 V 8.75 4.97 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 1.15 0.00 0.00 0.96 0.00 0.00 10 K 7.87 4.55 0.00 1.68 1.64 0.00 1.86 0.00 0.00 1.77 0.00 0.00 3.17 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.39 1.43 7.81 11 S 8.54 4.34 0.00 3.90 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 12 P 0.00 4.69 0.00 2.33 2.32 0.00 3.82 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.00 0.00 13 I 7.01 3.95 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 1.24 0.55 0.90 0.00 0.00 14 G 8.21 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.12 4.58 0.00 3.05 2.93 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 16 P 0.00 4.39 0.00 2.34 2.08 0.00 3.92 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.24 0.00 17 K 8.69 3.95 0.00 1.80 1.82 0.00 1.79 0.00 0.00 1.88 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.52 1.46 7.81 18 D 8.20 4.41 0.00 2.91 2.97 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.26 3.74 0.00 2.31 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.96 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 20 K 7.87 4.01 0.00 1.91 1.87 0.00 1.69 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.61 7.81 21 A 8.15 4.03 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 22 A 8.60 3.89 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.69 4.00 0.00 1.83 1.90 0.97 0.80 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 24 K 7.95 4.16 0.00 1.77 1.99 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.45 7.81 25 A 8.14 4.12 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.12 4.13 0.00 1.69 1.74 0.91 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 27 G 8.37 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 28 L 7.59 5.11 0.00 1.62 1.64 0.93 1.01 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 29 R 7.98 4.06 0.00 1.80 1.82 0.00 3.20 0.00 0.00 3.28 7.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 30 R 7.48 4.35 0.00 1.91 1.95 0.00 3.03 0.00 0.00 3.15 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 31 L 8.14 4.16 0.00 1.61 1.60 0.93 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 32 Q 8.75 3.45 0.00 2.19 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.99 6.53 0.00 0.00 0.00 0.00 0.00 2.29 2.42 0.00 33 Q 7.64 4.93 0.00 2.12 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 7.10 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 34 E 8.82 4.28 0.00 1.89 1.86 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 2.31 2.25 0.00 35 R 8.30 4.33 0.00 1.91 1.72 0.00 3.10 0.00 0.00 3.23 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.58 0.00 36 V 8.50 4.96 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 0.92 0.00 0.00 0.93 0.00 0.00 37 L 9.20 4.84 0.00 1.52 1.47 0.91 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 38 E 8.75 4.27 0.00 1.96 1.87 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 2.40 2.37 0.00 39 D 8.05 4.89 0.00 2.92 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 40 T 8.39 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 1.28 0.00 0.00 41 P 0.00 4.24 0.00 2.30 2.30 0.00 3.76 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.04 0.00 42 A 7.80 3.97 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 43 I 7.67 3.67 1.93 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 1.79 0.94 0.91 0.00 0.00 44 R 8.10 4.00 0.00 2.02 1.99 0.00 3.15 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.91 0.00 45 G 8.14 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 46 N 7.85 4.48 0.00 2.83 2.86 0.00 0.00 6.68 7.34 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 47 V 7.96 3.56 2.20 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 0.98 0.00 0.00 0.95 0.00 0.00 48 E 9.02 3.91 0.00 2.02 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 2.29 2.35 0.00 49 K 7.75 4.13 0.00 1.91 1.87 0.00 1.72 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.64 7.81 50 V 7.12 4.24 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 0.90 0.00 0.00 0.92 0.00 0.00 51 A 8.40 3.99 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 52 H 8.31 4.54 0.00 3.19 3.35 0.00 5.51 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 53 L 8.74 4.45 0.00 1.47 1.58 0.52 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 54 V 7.32 4.87 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 0.67 0.00 0.00 0.95 0.00 0.00 55 R 8.91 4.50 0.00 1.63 1.82 0.00 3.27 0.00 0.00 3.08 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.67 0.00 56 V 8.36 4.40 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 0.77 0.00 0.00 0.92 0.00 0.00 57 E 8.43 4.77 0.00 1.94 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 2.22 2.25 0.00 58 V 8.37 4.47 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 0.74 0.00 0.00 0.93 0.00 0.00 59 V 9.24 4.08 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 0.88 0.00 0.00 0.93 0.00 0.00