NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.0108 8.0501 120.3942 62.7421 33.2524 176.2290 2 A 4.2895 7.9129 119.6557 52.0525 20.0787 175.7039 3 P 4.4887 0.0000 0.0000 65.1561 33.0081 175.8769 4 T 4.3942 7.5469 112.4120 62.3784 67.5103 175.2745 5 L 4.3217 7.7237 123.7436 56.3096 44.7989 177.7417 6 T 3.8886 8.2044 107.8339 64.9129 68.6197 175.3828 7 A 4.1859 8.1031 122.8947 55.2608 17.9472 179.3205 8 R 3.9012 7.5959 116.1265 59.4444 30.0473 178.4824 9 L 4.1897 8.4657 119.2431 58.2880 41.7952 179.0914 10 Y 4.3601 8.1539 119.0055 60.8721 38.5794 177.6940 11 S 3.9214 8.1814 114.3067 61.6296 63.0943 175.9385 12 L 4.3067 7.4819 119.8441 56.4217 42.1195 177.0845 13 L 4.6025 7.7775 114.6049 54.0914 44.4985 177.0017 14 F 5.0259 8.0314 114.5434 57.8893 41.1797 176.8283 15 R 3.6906 7.5531 120.4482 59.0544 30.1300 177.0323 16 R 4.1593 7.6758 117.6130 56.0895 31.5962 177.0970 17 T 4.2048 8.5380 122.7418 66.0573 68.4881 176.5843 18 S 4.1455 8.0827 117.1113 61.7055 63.1519 176.4090 19 T 3.7325 7.7925 113.9077 63.5927 68.5648 175.6423 20 F 3.9786 8.8943 123.6634 61.4902 39.4155 177.0828 21 A 3.9282 8.2103 120.0173 54.9791 18.2061 179.3179 22 L 3.8769 8.6436 119.3740 58.4830 42.0355 179.4558 23 T 3.7306 7.8233 116.0184 66.5526 68.1790 176.8310 24 I 3.1873 7.2619 113.5550 63.5274 37.5266 178.0856 25 V 3.7735 7.4850 119.8842 65.5401 31.7419 178.1091 26 V 3.7332 8.2638 118.5333 66.0763 31.0714 178.2571 27 G 3.7705 8.9774 105.7689 47.2608 0.0000 175.4088 28 A 4.1888 7.7123 123.2347 54.4313 18.6702 179.2916 29 L 3.8795 7.8790 118.4751 58.5774 42.1066 179.1760 30 F 4.3112 7.8620 116.5399 60.5416 38.7813 177.5002 31 F 4.1861 8.2877 120.2305 61.1083 39.3230 176.9805 32 E 4.0727 8.5851 119.2264 58.8939 29.3536 178.6936 33 R 3.8381 7.9050 118.3652 59.5860 30.2836 178.5334 34 A 3.9887 7.7585 120.4420 54.5916 18.2184 179.4777 35 F 3.8814 7.9198 119.4489 61.5710 38.0883 177.4831 36 D 4.3322 8.0268 117.6996 57.5171 40.4851 177.2393 37 Q 4.2388 8.6482 122.0108 56.6414 28.7294 177.6754 38 G 3.8506 8.2042 105.6629 48.1976 0.0000 175.0687 39 A 3.8302 7.9352 123.7735 54.5407 18.3473 179.2457 40 D 4.3625 7.4022 115.6354 57.7505 40.9936 179.1363 41 A 4.4477 8.1255 122.3305 54.4467 17.8309 179.7952 42 I 3.7138 8.1009 119.1902 64.6241 36.9060 177.9619 43 Y 4.1904 7.9159 119.6595 60.6783 38.4066 176.6826 44 E 3.9155 8.8785 119.5945 60.3827 29.4229 178.9028 45 H 4.1359 8.2145 118.2271 58.9069 30.0610 176.3746 46 I 4.0565 7.1260 117.1856 61.3832 38.3629 175.1889 47 N 4.5837 8.1890 115.4623 54.5185 40.7479 176.3116 48 E 3.6266 8.1374 112.7770 56.0165 27.6320 175.2257 49 G 5.1060 6.8770 119.1848 46.1941 0.0000 173.7556 50 K 4.2470 7.8694 119.4374 57.0859 32.9574 176.7635 51 L 4.9066 7.6233 118.5011 52.0713 44.4610 177.1621 52 W 4.5870 8.8704 130.9070 60.2050 30.2916 178.1667 53 K 3.8120 8.0225 118.2202 59.0962 31.6765 177.3827 54 H 4.6101 8.0789 115.6307 57.7633 29.7019 176.9839 55 I 3.5813 8.0073 121.1267 64.7930 36.0604 179.4158 56 K 3.6078 7.2949 120.6367 59.1143 32.5305 177.3863 57 H 4.1726 7.6858 112.5345 57.6530 28.9333 176.7733 58 K 3.6777 8.0005 120.2855 58.8914 31.7315 176.7713 59 Y 4.7157 6.3701 118.9683 56.0817 38.4071 175.4309 60 E 4.0787 8.5402 126.5112 57.8477 30.5106 176.0990 61 N 4.5695 7.7248 121.5771 53.7965 39.3221 174.0961 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 V 8.05 4.01 2.09 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 0.97 0.00 0.00 0.94 0.00 0.00 2 A 7.91 4.29 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 3 P 0.00 4.49 0.00 2.05 2.10 0.00 3.68 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 2.05 0.00 4 T 7.55 4.39 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 1.24 0.00 0.00 5 L 7.72 4.32 0.00 1.85 1.59 0.96 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 6 T 8.20 3.89 4.19 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 1.18 0.00 0.00 7 A 8.10 4.19 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 8 R 7.60 3.90 0.00 2.00 1.99 0.00 3.15 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 9 L 8.47 4.19 0.00 2.17 2.04 1.03 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 10 Y 8.15 4.36 0.00 3.12 3.17 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 11 S 8.18 3.92 0.00 3.92 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 12 L 7.48 4.31 0.00 1.87 1.68 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 13 L 7.78 4.60 0.00 1.71 1.07 0.88 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 14 F 8.03 5.03 0.00 3.27 3.28 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 0.00 0.00 0.00 0.00 15 R 7.55 3.69 0.00 1.46 1.77 0.00 3.04 0.00 0.00 3.07 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.43 0.00 16 R 7.68 4.16 0.00 1.89 1.77 0.00 3.21 0.00 0.00 3.33 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.69 0.00 17 T 8.54 4.20 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 1.21 0.00 0.00 18 S 8.08 4.15 0.00 4.05 4.09 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 19 T 7.79 3.73 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 1.18 0.00 0.00 20 F 8.89 3.98 0.00 3.14 3.28 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 0.00 0.00 0.00 0.00 21 A 8.21 3.93 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 22 L 8.64 3.88 0.00 1.77 1.77 0.91 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 23 T 7.82 3.73 4.01 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 0.90 0.00 0.00 24 I 7.26 3.19 1.66 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.44 0.35 0.00 0.00 25 V 7.48 3.77 2.18 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 0.97 0.00 0.00 0.90 0.00 0.00 26 V 8.26 3.73 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 1.10 0.00 0.00 0.97 0.00 0.00 27 G 8.98 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 0.00 0.00 0.00 28 A 7.71 4.19 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 29 L 7.88 3.88 0.00 1.72 1.72 0.85 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 30 F 7.86 4.31 0.00 3.29 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 31 F 8.29 4.19 0.00 3.33 3.23 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 32 E 8.59 4.07 0.00 2.33 1.97 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 2.37 2.40 0.00 33 R 7.91 3.84 0.00 1.94 2.11 0.00 3.19 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.71 0.00 34 A 7.76 3.99 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 F 7.92 3.88 0.00 2.44 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 D 8.03 4.33 0.00 2.95 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 37 Q 8.65 4.24 0.00 2.33 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.66 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 38 G 8.20 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 A 7.94 3.83 0.71 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 0.00 0.00 40 D 7.40 4.36 0.00 3.07 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.13 4.45 1.34 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 0.00 0.00 0.00 42 I 8.10 3.71 1.99 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 1.47 1.22 0.93 0.00 0.00 43 Y 7.92 4.19 0.00 2.99 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 44 E 8.88 3.92 0.00 2.26 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 0.00 2.40 2.39 0.00 45 H 8.21 4.14 0.00 3.24 3.34 0.00 5.94 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 I 7.13 4.06 1.98 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.23 0.90 0.00 0.00 47 N 8.19 4.58 0.00 2.49 2.66 0.00 0.00 6.97 7.56 0.00 0.00 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 E 8.14 3.63 0.00 1.99 1.96 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 2.09 2.27 0.00 49 G 6.88 5.11 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 0.00 50 K 7.87 4.25 0.00 1.73 1.88 0.00 1.81 0.00 0.00 1.69 0.00 0.00 2.90 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.41 1.43 7.81 51 L 7.62 4.91 0.00 1.64 1.55 0.82 0.94 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 52 W 8.87 4.59 0.00 3.37 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 53 K 8.02 3.81 0.00 1.70 1.56 0.00 1.79 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.32 1.49 7.81 54 H 8.08 4.61 0.00 3.05 3.29 0.00 5.92 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 I 8.01 3.58 1.94 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.72 0.98 0.00 0.00 56 K 7.29 3.61 0.00 1.48 1.41 0.00 1.43 0.00 0.00 1.49 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.93 0.81 7.81 57 H 7.69 4.17 0.00 3.19 3.29 0.00 5.58 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 K 8.00 3.68 0.00 1.01 0.74 0.00 1.18 0.00 0.00 1.41 0.00 0.00 2.98 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.16 1.18 7.81 59 Y 6.37 4.72 0.00 3.30 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 60 E 8.54 4.08 0.00 1.96 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 2.28 2.24 0.00 61 N 7.72 4.57 0.00 2.67 2.61 0.00 0.00 6.80 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00