NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.6316 8.2076 120.5317 54.6988 43.2924 177.1211 2 Y 4.0715 8.3645 117.6240 60.0903 37.2940 177.1786 3 L 3.6071 7.5006 121.6260 57.4584 42.3439 180.6971 4 R 3.8620 7.7724 117.3089 59.2825 29.7717 178.8277 5 E 4.0470 8.4231 118.9413 59.0432 29.4226 179.2920 6 L 3.9813 7.9552 119.1665 57.7139 41.7731 178.8774 7 L 3.8770 8.0083 120.5982 58.5199 41.9233 179.1402 8 K 4.0165 7.9728 118.5767 59.2177 32.1349 178.7978 9 L 4.0404 7.7372 119.5495 57.9055 41.4809 179.3710 10 E 4.1322 8.7885 118.8595 59.2985 29.4460 179.3269 11 L 4.0662 8.0449 119.0638 57.4381 41.4937 179.4754 12 Q 3.9700 8.3874 117.7927 58.8140 28.9747 178.0026 13 A 4.0356 8.6276 122.3583 55.2385 18.4847 179.4532 14 I 3.7932 8.1525 111.2931 64.1704 37.1746 178.0993 15 K 3.8734 8.0251 120.9494 59.5938 32.0903 178.6304 16 Q 3.9247 8.0089 118.1521 59.3968 28.6202 178.7398 17 Y 4.2205 7.7001 116.8792 60.6382 37.6967 178.3231 18 R 3.9430 7.7452 119.4969 59.3626 30.4954 177.7565 19 E 4.1449 8.6437 119.3884 59.2192 29.6295 178.6420 20 A 4.0207 8.0711 120.8459 55.1925 18.5554 179.3880 21 L 4.7105 8.2305 117.8820 56.2773 41.5431 178.5396 22 E 4.1262 8.2785 118.7304 57.9923 29.5673 176.2589 23 Y 4.5257 7.7238 112.8552 59.3974 40.8940 176.1152 24 V 4.5430 8.0404 112.0064 59.5802 34.7223 175.6886 25 K 4.8687 8.3612 121.2316 54.9349 31.7884 176.2990 26 L 4.5392 7.3468 120.1754 52.7661 44.2680 175.4805 27 P 4.2564 0.0000 0.0000 65.6606 31.3885 179.1586 28 V 3.5770 7.7124 117.3211 64.8651 31.3706 177.9282 29 L 3.8405 8.0672 119.2242 57.6990 40.9213 179.3475 30 A 4.0088 7.8294 119.9855 54.5868 18.1390 179.5298 31 K 3.8472 8.1527 118.1930 59.6369 32.4552 178.7710 32 I 3.6295 7.5832 120.1133 64.0719 36.8798 177.9829 33 L 3.7942 7.5327 119.8885 58.1570 41.4249 179.3671 34 E 3.8999 7.7457 117.1420 58.5852 29.4336 178.4567 35 D 4.1407 7.9387 119.4994 57.3527 40.6647 178.3856 36 E 3.6508 7.6962 118.5856 59.0658 29.5768 178.9618 37 E 3.7249 8.1629 118.9985 58.9907 29.2123 179.3439 38 K 3.4608 7.2173 118.6203 60.1629 32.4571 177.8642 39 H 3.6339 7.7586 115.5813 59.1578 28.5516 177.1961 40 I 3.6185 8.9363 121.8133 64.7605 37.1507 177.9231 41 E 4.1632 7.7318 120.5162 58.7185 29.3757 178.9153 42 W 4.4508 8.0848 119.1056 59.8099 28.9465 178.3865 43 L 4.0821 7.9127 118.4989 57.9692 40.7215 178.9588 44 E 3.9565 8.2543 118.3002 60.0658 29.0578 179.2499 45 T 3.9364 8.2565 115.8063 67.2409 68.4046 176.4412 46 I 3.9102 7.5944 114.3295 63.5753 37.7826 177.7398 47 L 4.0578 7.9471 121.1642 56.3286 41.4619 177.2295 48 G 4.0485 8.3578 111.9617 45.7082 0.0000 173.0598 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 4.63 0.00 2.82 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 8.36 4.07 0.00 3.33 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 3 L 7.50 3.61 0.00 1.24 1.49 0.65 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 4 R 7.77 3.86 0.00 1.92 1.96 0.00 3.11 0.00 0.00 3.31 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.65 0.00 5 E 8.42 4.05 0.00 2.21 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 2.36 2.53 0.00 6 L 7.96 3.98 0.00 1.88 1.74 1.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 7 L 8.01 3.88 0.00 1.84 1.85 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 8 K 7.97 4.02 0.00 1.90 1.78 0.00 1.69 0.00 0.00 1.65 0.00 0.00 3.14 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.67 7.81 9 L 7.74 4.04 0.00 1.84 1.72 0.94 0.94 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 10 E 8.79 4.13 0.00 2.07 2.02 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 2.44 2.53 0.00 11 L 8.04 4.07 0.00 1.70 1.71 0.96 0.63 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 8.39 3.97 0.00 1.96 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.94 0.00 0.00 0.00 0.00 0.00 2.39 2.61 0.00 13 A 8.63 4.04 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 14 I 8.15 3.79 1.91 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 1.54 0.63 0.98 0.00 0.00 15 K 8.03 3.87 0.00 1.88 1.92 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.44 1.50 7.81 16 Q 8.01 3.92 0.00 1.83 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.58 0.00 0.00 0.00 0.00 0.00 2.28 2.43 0.00 17 Y 7.70 4.22 0.00 3.10 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 7.75 3.94 0.00 2.14 1.99 0.00 3.41 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 1.67 1.66 0.00 19 E 8.64 4.14 0.00 2.18 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 2.34 2.48 0.00 20 A 8.07 4.02 1.41 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 0.00 0.00 21 L 8.23 4.71 0.00 1.76 1.76 1.02 0.59 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 22 E 8.28 4.13 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.34 0.00 23 Y 7.72 4.53 0.00 2.99 2.92 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 0.00 0.00 0.00 24 V 8.04 4.54 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 0.94 0.00 0.00 1.03 0.00 0.00 25 K 8.36 4.87 0.00 1.72 1.74 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.34 1.43 7.81 26 L 7.35 4.54 0.00 1.70 1.59 0.95 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 27 P 0.00 4.26 0.00 2.14 2.10 0.00 3.63 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.15 0.00 28 V 7.71 3.58 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 0.89 0.00 0.00 0.90 0.00 0.00 29 L 8.07 3.84 0.00 1.93 1.82 1.03 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 30 A 7.83 4.01 1.30 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 0.00 0.00 0.00 31 K 8.15 3.85 0.00 1.65 1.95 0.00 1.64 0.00 0.00 1.67 0.00 0.00 3.03 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.46 7.81 32 I 7.58 3.63 1.10 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.15 0.72 0.00 0.00 33 L 7.53 3.79 0.00 1.74 1.67 0.92 0.66 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 34 E 7.75 3.90 0.00 1.98 1.85 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 2.21 2.26 0.00 35 D 7.94 4.14 0.00 2.81 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 7.70 3.65 0.00 1.92 2.13 0.00 0.00 0.00 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 2.40 0.00 37 E 8.16 3.72 0.00 1.87 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 2.24 2.32 0.00 38 K 7.22 3.46 0.00 1.44 1.37 0.00 1.69 0.00 0.00 1.82 0.00 0.00 3.13 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.30 0.72 7.81 39 H 7.76 3.63 0.00 3.25 3.21 0.00 5.73 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 I 8.94 3.62 1.80 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.41 0.89 0.00 0.00 41 E 7.73 4.16 0.00 1.97 1.93 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 2.42 2.25 0.00 42 W 8.08 4.45 0.00 3.57 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 43 L 7.91 4.08 0.00 1.84 1.72 0.97 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 44 E 8.25 3.96 0.00 2.04 2.02 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 2.34 2.58 0.00 45 T 8.26 3.94 4.52 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 1.26 0.00 0.00 46 I 7.59 3.91 1.88 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 1.91 0.51 0.99 0.00 0.00 47 L 7.95 4.06 0.00 1.77 1.77 0.89 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 48 G 8.36 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00