NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4755 8.1933 115.4124 57.7105 64.6809 174.6233 2 L 3.7708 8.3547 120.3760 57.4450 41.3695 178.0876 3 A 3.9591 8.4349 122.1117 55.1083 18.6941 179.1450 4 A 3.9119 8.1606 119.2213 55.3412 18.4430 179.7274 5 L 3.9503 7.8756 118.6867 57.7740 42.0581 178.9589 6 K 3.8875 8.3004 120.0899 59.7347 32.1084 178.9112 7 S 4.3734 8.1069 116.6310 61.0138 62.7186 176.3529 8 E 3.9190 8.2448 121.9987 59.2056 29.2992 178.8684 9 L 4.0218 8.2208 119.2992 57.9992 41.1987 179.4917 10 Q 3.9845 8.3221 117.8017 58.9333 28.3873 178.8683 11 A 4.0505 8.1138 121.3553 55.1570 18.7107 179.4317 12 L 4.0955 8.1405 117.5666 57.7048 41.5640 179.7579 13 K 4.0435 8.4443 118.9137 59.4524 31.8142 179.2643 14 K 4.1151 7.8661 116.6945 58.2125 31.1634 178.0098 15 E 4.6250 8.0880 118.2596 55.0299 29.5659 176.5237 16 G 3.8073 8.1848 106.9427 46.2259 0.0000 173.8428 17 F 4.0277 8.0623 119.0248 59.8266 40.3816 177.0496 18 S 3.2755 7.3923 119.3578 58.1647 59.8320 169.9890 19 P 4.2057 0.0000 0.0000 65.6634 31.7098 177.9716 20 E 3.9135 7.9805 116.3409 59.5202 29.5448 179.1224 21 E 3.9504 7.9884 118.0867 59.3668 29.5131 179.0595 22 L 4.0204 8.4883 120.5074 57.9466 42.1281 178.7919 23 A 3.9753 8.2897 120.8365 54.9680 18.2073 179.4138 24 A 3.9324 7.8614 118.6918 55.4275 18.4960 179.8417 25 L 3.9519 7.9749 117.4165 58.0205 41.6043 179.6149 26 E 4.0122 8.5697 118.8567 59.6312 29.3882 179.6989 27 S 4.1302 8.2283 115.1254 61.5190 62.9592 176.5101 28 E 3.9687 8.5432 121.7528 59.2775 29.2078 179.1792 29 L 3.9670 8.3669 120.7402 58.3799 42.1118 179.1165 30 Q 4.2849 8.6617 119.2299 58.2186 28.5689 178.4972 31 A 3.9889 8.0842 122.0353 55.2590 18.3498 179.7194 32 L 4.0144 7.8431 116.9104 57.9632 41.6397 179.5680 33 E 4.0307 8.2037 118.5935 59.3111 29.2707 179.6336 34 K 4.1032 8.3215 118.9574 59.1935 32.1068 179.3043 35 K 3.9005 8.5597 120.4331 59.3007 32.0985 178.6333 36 L 3.9077 8.3925 120.8426 58.0611 42.0517 178.6726 37 A 3.9773 8.0857 120.4881 55.1378 18.2699 179.2755 38 A 3.9454 8.2013 119.3175 55.5598 18.3802 179.9483 39 L 4.0192 8.1103 117.3613 57.7585 41.5970 179.9189 40 K 3.9776 8.1704 118.5373 59.5715 31.9069 179.5998 41 S 4.1241 8.2392 115.4302 61.4827 62.7213 176.8605 42 K 3.9503 8.4832 121.6570 59.3599 31.8061 179.0982 43 L 3.9520 8.2634 120.9210 58.3484 42.0270 179.0983 44 Q 4.0051 8.2906 117.8554 58.7938 28.3698 178.5745 45 A 4.0193 8.1437 121.4841 55.1362 18.4858 179.3378 46 L 4.0870 7.8043 116.5764 57.8914 41.7511 179.5576 47 K 4.2130 8.0623 117.6828 59.2458 32.0702 177.8489 48 G 3.8672 7.9434 109.3980 45.0046 0.0000 173.1360 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 S 8.19 4.48 0.00 4.02 4.08 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 0.00 0.00 0.00 2 L 8.35 3.77 0.00 1.79 1.76 0.92 0.44 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 3 A 8.43 3.96 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 4 A 8.16 3.91 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 5 L 7.88 3.95 0.00 1.81 1.67 0.93 0.72 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 6 K 8.30 3.89 0.00 1.96 2.00 0.00 1.89 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.49 7.81 7 S 8.11 4.37 0.00 4.04 3.89 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 0.00 0.00 0.00 8 E 8.24 3.92 0.00 2.03 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 2.28 2.31 0.00 9 L 8.22 4.02 0.00 1.90 1.73 0.94 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 10 Q 8.32 3.98 0.00 2.27 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.51 0.00 11 A 8.11 4.05 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 12 L 8.14 4.10 0.00 1.89 1.83 0.75 0.15 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 13 K 8.44 4.04 0.00 2.00 1.89 0.00 1.69 0.00 0.00 1.79 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.69 7.81 14 K 7.87 4.12 0.00 1.88 1.88 0.00 1.68 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.72 7.81 15 E 8.09 4.63 0.00 2.22 1.99 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 2.25 2.42 0.00 16 G 8.18 3.81 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 0.00 0.00 0.00 17 F 8.06 4.03 0.00 2.99 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.39 3.28 0.00 2.77 3.20 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 0.00 19 P 0.00 4.21 0.00 2.15 2.08 0.00 3.54 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.17 0.00 20 E 7.98 3.91 0.00 2.00 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 2.37 2.43 0.00 21 E 7.99 3.95 0.00 1.99 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 2.33 2.22 0.00 22 L 8.49 4.02 0.00 1.91 1.70 1.16 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 23 A 8.29 3.98 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.86 3.93 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 25 L 7.97 3.95 0.00 1.90 1.76 0.98 0.75 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 26 E 8.57 4.01 0.00 2.14 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 2.35 2.55 0.00 27 S 8.23 4.13 0.00 4.00 3.91 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 28 E 8.54 3.97 0.00 2.15 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 2.52 2.47 0.00 29 L 8.37 3.97 0.00 1.79 1.82 0.93 0.68 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 30 Q 8.66 4.28 0.00 2.27 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.56 0.00 0.00 0.00 0.00 0.00 2.38 2.34 0.00 31 A 8.08 3.99 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.84 4.01 0.00 1.87 1.73 0.92 0.91 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 33 E 8.20 4.03 0.00 2.20 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 2.33 2.35 0.00 34 K 8.32 4.10 0.00 1.90 1.85 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.71 1.59 7.81 35 K 8.56 3.90 0.00 1.88 1.98 0.00 1.52 0.00 0.00 1.57 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.49 7.81 36 L 8.39 3.91 0.00 1.76 1.91 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 37 A 8.09 3.98 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 A 8.20 3.95 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.11 4.02 0.00 1.84 1.73 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 40 K 8.17 3.98 0.00 1.97 1.86 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.61 7.81 41 S 8.24 4.12 0.00 4.02 3.91 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 42 K 8.48 3.95 0.00 1.91 1.86 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.57 7.81 43 L 8.26 3.95 0.00 1.73 1.84 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 44 Q 8.29 4.01 0.00 2.27 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.55 2.52 0.00 45 A 8.14 4.02 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.80 4.09 0.00 1.78 1.75 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 47 K 8.06 4.21 0.00 1.88 1.87 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.48 1.66 7.81 48 G 7.94 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00