NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.6424 8.2076 120.5421 54.0401 43.1748 176.7875 2 Y 4.1706 7.8281 118.4872 58.8471 37.5699 175.7603 3 L 3.9332 7.6865 121.4509 57.0623 42.2583 180.3269 4 R 4.7014 7.6342 117.8102 58.8622 30.0367 178.3820 5 E 3.9732 8.1702 118.6726 59.5253 29.5321 179.2619 6 L 4.0383 8.3790 119.0411 57.7353 41.6359 178.9850 7 L 3.8520 9.3073 120.2144 58.7709 41.9160 179.2264 8 K 3.9527 8.3622 119.1243 59.1486 32.2720 178.6798 9 L 3.9925 8.3637 119.9601 58.1617 41.6329 179.5221 10 E 4.0549 8.8404 118.4173 59.4218 29.1855 179.3465 11 L 4.0421 7.9534 118.2819 57.8266 41.8481 179.5086 12 Q 4.1147 8.6204 118.1600 59.0373 28.7016 178.4783 13 A 4.0225 7.9032 121.2371 55.1029 17.9193 179.1122 14 I 3.9075 8.0231 116.5342 62.6260 36.6395 176.8893 15 K 4.4698 8.1926 118.5348 57.6846 33.0247 177.5529 16 Q 4.4333 7.5821 119.2801 58.1553 29.6944 177.0480 17 Y 3.9506 8.1504 117.9705 61.2645 37.7221 178.8300 18 R 3.9290 7.5900 116.8301 59.4084 30.4104 178.7582 19 E 4.1159 7.6797 117.7808 59.3842 29.6202 179.1017 20 A 4.0649 8.4955 121.2198 55.1914 17.2275 179.4081 21 L 4.0076 8.6887 119.2200 58.3799 41.8836 179.1331 22 E 4.2006 7.9688 117.9633 59.1989 29.4450 178.0620 23 Y 4.4736 7.8191 118.8018 58.4947 39.2081 176.1414 24 V 4.1460 6.7989 115.9946 60.0323 34.7155 175.7619 25 K 4.1854 8.3689 127.8543 55.8116 30.1529 177.0034 26 L 4.2847 7.6748 120.5441 53.3181 42.4299 175.3186 27 P 4.1838 0.0000 0.0000 65.7020 31.4784 178.8303 28 V 3.9159 7.8031 117.0726 64.5804 31.2934 178.1999 29 L 4.0946 8.6110 120.0866 57.2327 41.5068 179.1435 30 A 3.9384 7.8020 120.4366 55.1717 18.5385 179.4471 31 K 3.7965 8.3694 117.3424 59.8946 32.1285 179.6669 32 I 3.5524 7.6942 119.8335 63.9064 36.8264 178.1283 33 L 3.7624 8.1189 120.3690 58.1357 41.4803 179.5713 34 E 3.8361 7.8185 117.8039 59.5047 29.3873 179.0077 35 D 4.1241 7.7034 118.3355 57.2796 40.6796 179.0165 36 E 3.6959 7.8997 118.7350 59.7511 29.7477 179.1740 37 E 3.7808 8.1630 118.9646 59.2598 29.4900 179.8591 38 K 3.5655 8.1133 119.8613 59.6751 32.1781 178.1615 39 H 4.1392 8.2374 116.8915 59.3723 28.6012 177.2876 40 I 3.7116 7.9845 121.1048 64.6887 36.8280 178.1169 41 E 3.7996 7.8873 118.5297 59.2304 29.5939 178.6966 42 W 4.6329 8.7044 119.5192 59.6907 29.0788 178.0031 43 L 3.9926 8.4862 118.9598 58.3891 41.2692 179.4906 44 E 3.9456 8.9839 118.9216 60.1105 29.4063 179.8590 45 T 3.9363 8.3965 116.2463 66.3236 68.3280 176.3859 46 I 4.0775 7.5993 112.7381 62.7138 38.2354 177.4007 47 L 4.1012 7.9957 120.2924 55.8523 41.5201 177.0616 48 G 4.0357 7.8041 112.7491 45.6552 0.0000 173.1763 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 D 8.21 4.64 0.00 2.85 2.82 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 2 Y 7.83 4.17 0.00 3.37 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 3 L 7.69 3.93 0.00 1.44 1.58 0.61 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 4 R 7.63 4.70 0.00 1.93 1.96 0.00 3.12 0.00 0.00 3.32 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.67 0.00 5 E 8.17 3.97 0.00 2.15 2.04 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 2.51 2.55 0.00 6 L 8.38 4.04 0.00 1.82 1.75 1.04 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 7 L 9.31 3.85 0.00 1.91 1.82 0.94 0.72 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 8 K 8.36 3.95 0.00 2.02 1.80 0.00 1.72 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.49 7.81 9 L 8.36 3.99 0.00 1.81 1.76 0.96 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.84 4.05 0.00 2.10 2.04 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 2.48 2.55 0.00 11 L 7.95 4.04 0.00 1.76 1.75 0.93 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 12 Q 8.62 4.11 0.00 2.20 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 13 A 7.90 4.02 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 I 8.02 3.91 2.11 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 1.60 1.31 0.97 0.00 0.00 15 K 8.19 4.47 0.00 2.02 2.03 0.00 1.47 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.36 1.78 7.81 16 Q 7.58 4.43 0.00 1.94 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.79 6.94 0.00 0.00 0.00 0.00 0.00 2.50 2.30 0.00 17 Y 8.15 3.95 0.00 3.21 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 18 R 7.59 3.93 0.00 1.93 2.04 0.00 3.18 0.00 0.00 3.24 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.81 0.00 19 E 7.68 4.12 0.00 2.30 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 2.63 2.45 0.00 20 A 8.50 4.06 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 21 L 8.69 4.01 0.00 1.87 1.87 0.95 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 22 E 7.97 4.20 0.00 2.32 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 2.37 2.48 0.00 23 Y 7.82 4.47 0.00 2.95 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 24 V 6.80 4.15 1.73 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 0.85 0.00 0.00 0.89 0.00 0.00 25 K 8.37 4.19 0.00 1.71 1.77 0.00 1.76 0.00 0.00 1.69 0.00 0.00 2.77 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.41 1.45 7.81 26 L 7.67 4.28 0.00 1.77 1.65 0.96 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 27 P 0.00 4.18 0.00 2.15 2.11 0.00 3.60 0.00 0.00 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.18 0.00 28 V 7.80 3.92 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 0.92 0.00 0.00 0.93 0.00 0.00 29 L 8.61 4.09 0.00 1.93 1.86 1.01 1.10 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 30 A 7.80 3.94 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 31 K 8.37 3.80 0.00 1.91 1.82 0.00 1.64 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.47 7.81 32 I 7.69 3.55 1.79 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.61 -0.48 0.00 0.00 33 L 8.12 3.76 0.00 1.86 1.67 0.92 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 34 E 7.82 3.84 0.00 2.02 1.88 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 2.26 2.43 0.00 35 D 7.70 4.12 0.00 2.59 2.41 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.90 3.70 0.00 2.01 1.92 0.00 0.00 0.00 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 2.28 0.00 37 E 8.16 3.78 0.00 2.04 1.92 0.00 0.00 0.00 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 2.30 0.00 38 K 8.11 3.57 0.00 1.48 1.56 0.00 0.61 0.00 0.00 1.07 0.00 0.00 2.29 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.63 7.81 39 H 8.24 4.14 0.00 3.37 3.53 0.00 5.70 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 I 7.98 3.71 1.99 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.94 0.95 0.00 0.00 41 E 7.89 3.80 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 2.35 2.51 0.00 42 W 8.70 4.63 0.00 3.60 3.11 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 43 L 8.49 3.99 0.00 1.84 1.75 0.97 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 44 E 8.98 3.95 0.00 2.13 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 2.35 2.40 0.00 45 T 8.40 3.94 4.37 0.00 0.00 0.00 0.00 0.00 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 46 I 7.60 4.08 1.82 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.47 0.84 0.00 0.00 47 L 8.00 4.10 0.00 1.76 1.74 0.87 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 48 G 7.80 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 0.00 0.00 0.00