NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.7743 8.2516 120.4274 55.1257 33.3845 174.6103 2 Q 3.8621 8.6310 128.9517 55.7578 30.0657 173.1209 3 S 5.1747 8.8512 121.8177 56.9995 64.4482 172.3389 4 I 4.8682 8.8120 126.5210 59.2167 42.0731 174.1461 5 N 5.1034 8.6032 123.5286 51.7657 39.0510 175.8193 6 F 4.3769 9.0494 123.5272 62.4157 39.0284 178.0925 7 R 3.2696 7.8021 119.3423 61.7202 29.1463 180.6304 8 T 4.0021 7.7718 116.0075 66.3006 68.2712 176.4885 9 A 3.9941 7.7965 121.7415 55.0135 18.4238 179.2423 10 R 4.0322 7.5984 116.5334 59.6887 30.2055 178.7479 11 G 3.7497 7.5967 103.7668 46.4216 0.0000 173.8561 12 N 5.0200 7.9434 118.5286 52.4040 39.6271 176.7986 13 L 3.9229 8.1921 121.8194 58.5664 42.0986 178.0362 14 S 4.1630 8.1367 116.8513 62.2639 62.8467 177.0256 15 E 3.9724 8.0911 120.4713 61.0099 29.5635 180.7473 16 V 3.7806 8.0154 119.7419 66.0903 31.5937 178.2577 17 L 4.0569 8.1862 118.6045 57.6368 41.4198 179.3378 18 N 4.3522 8.0690 116.6954 56.3804 38.5502 177.1430 19 N 4.3343 8.1743 117.9234 56.2894 38.6312 177.5427 20 V 3.8772 7.7771 120.9207 65.6013 31.3667 177.9569 21 E 4.0002 8.1053 116.9986 59.1982 29.3983 178.6589 22 A 4.2403 7.6435 118.7845 52.9834 18.4489 178.0625 23 G 4.0244 7.8162 105.8101 44.9456 0.0000 173.7492 24 E 4.4782 8.1774 119.3344 55.5600 31.5930 175.1453 25 E 5.0732 8.6518 120.3304 54.6654 32.6331 175.0863 26 V 4.5608 8.4889 124.8186 60.9550 34.0302 174.0523 27 E 4.7212 9.2034 130.2712 55.8800 31.1278 175.0507 28 I 5.1133 9.1274 127.8444 59.6851 40.3046 174.4606 29 T 4.9040 8.7462 117.3327 59.8243 71.6429 173.1827 30 R 5.0378 8.3222 122.9895 53.9293 33.7225 175.4502 31 R 4.0128 8.6608 122.6270 57.8989 30.3874 177.3215 32 G 3.9629 9.0643 111.0425 45.3017 0.0000 173.0508 33 R 4.6597 7.5159 117.8815 53.7872 32.6641 175.7952 34 E 4.1230 8.4633 120.3344 55.5526 30.1065 175.4126 35 P 4.6649 0.0000 0.0000 63.0048 32.3060 175.3325 36 A 4.8467 8.9242 123.4115 50.3066 22.3324 175.4502 37 V 4.7494 8.1885 118.1900 61.0205 34.7414 174.4553 38 I 4.5418 8.7788 128.0760 59.2362 39.9848 174.6444 39 V 4.9155 8.0969 127.7407 59.4385 35.2377 175.2613 40 S 4.2838 8.4777 115.1094 57.8563 63.9390 175.2226 41 K 3.9347 8.7916 123.3535 59.6281 32.0117 178.7868 42 A 3.9607 7.9992 120.4847 55.6875 18.2919 179.3919 43 T 3.5009 7.8533 113.8408 66.6473 68.4297 176.5425 44 F 4.0598 8.1271 122.2218 61.5074 39.4104 177.1215 45 E 3.7451 8.3450 117.7733 58.9732 29.1308 179.2404 46 A 3.9111 7.8331 121.1760 55.2604 18.4348 179.3269 47 Y 4.3080 7.7447 117.6974 61.7937 37.8832 179.3784 48 K 3.8954 8.1516 127.3147 60.2197 31.7364 181.5663 49 K 4.1756 8.5502 125.3901 59.6776 31.4438 180.7795 50 A 4.2221 7.7568 120.7459 54.9397 18.3365 179.2779 51 A 4.1695 8.0858 120.7801 55.5911 18.6479 180.2094 52 L 4.1863 8.5602 123.4053 59.3513 42.2719 181.9178 53 D 4.9319 8.3986 121.4503 53.1423 36.4106 180.3875 54 A 4.2872 7.4937 128.1431 53.2868 19.1914 176.8155 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 8.25 4.77 0.00 2.06 2.11 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.46 0.00 2 Q 8.63 3.86 0.00 2.31 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.77 0.00 0.00 0.00 0.00 0.00 2.43 2.49 0.00 3 S 8.85 5.17 0.00 4.11 3.74 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.81 4.87 1.88 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 1.28 1.32 0.93 0.00 0.00 5 N 8.60 5.10 0.00 2.96 2.95 0.00 0.00 5.62 8.12 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 6 F 9.05 4.38 0.00 3.14 3.14 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 0.00 0.00 0.00 7 R 7.80 3.27 0.00 1.85 1.93 0.00 3.31 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.30 0.00 8 T 7.77 4.00 4.38 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 1.19 0.00 0.00 9 A 7.80 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 10 R 7.60 4.03 0.00 1.81 1.96 0.00 3.38 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.53 0.00 11 G 7.60 3.75 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 0.00 0.00 0.00 0.00 0.00 0.00 12 N 7.94 5.02 0.00 2.82 2.78 0.00 0.00 6.55 6.77 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 13 L 8.19 3.92 0.00 1.75 1.67 0.93 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.14 4.16 0.00 3.90 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 15 E 8.09 3.97 0.00 1.97 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 2.31 1.94 0.00 16 V 8.02 3.78 2.25 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 0.97 0.00 0.00 0.96 0.00 0.00 17 L 8.19 4.06 0.00 1.87 1.69 0.91 0.78 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 18 N 8.07 4.35 0.00 2.92 2.86 0.00 0.00 6.93 6.96 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 19 N 8.17 4.33 0.00 2.97 2.87 0.00 0.00 6.69 7.77 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 20 V 7.78 3.88 2.23 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 1.23 0.00 0.00 1.03 0.00 0.00 21 E 8.11 4.00 0.00 2.15 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 2.34 2.32 0.00 22 A 7.64 4.24 1.37 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 0.00 0.00 0.00 23 G 7.82 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 24 E 8.18 4.48 0.00 2.10 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 2.32 2.39 0.00 25 E 8.65 5.07 0.00 1.92 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 2.36 2.32 0.00 26 V 8.49 4.56 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 1.10 0.00 0.00 0.94 0.00 0.00 27 E 9.20 4.72 0.00 2.09 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.30 0.00 28 I 9.13 5.11 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.69 0.99 0.00 0.00 29 T 8.75 4.90 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 1.23 0.00 0.00 30 R 8.32 5.04 0.00 1.64 1.70 0.00 2.42 0.00 0.00 2.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.46 0.00 31 R 8.66 4.01 0.00 1.81 1.90 0.00 3.25 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 32 G 9.06 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 33 R 7.52 4.66 0.00 1.81 1.76 0.00 3.27 0.00 0.00 3.18 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.57 0.00 34 E 8.46 4.12 0.00 1.94 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 2.30 2.23 0.00 35 P 0.00 4.66 0.00 2.07 2.06 0.00 3.72 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 36 A 8.92 4.85 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.19 4.75 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 0.94 0.00 0.00 38 I 8.78 4.54 1.84 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 1.26 1.25 0.98 0.00 0.00 39 V 8.10 4.92 2.11 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 0.79 0.00 0.00 0.96 0.00 0.00 40 S 8.48 4.28 0.00 4.01 4.02 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 0.00 0.00 0.00 41 K 8.79 3.93 0.00 1.85 1.85 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.54 1.56 7.81 42 A 8.00 3.96 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 43 T 7.85 3.50 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 0.69 0.00 0.00 44 F 8.13 4.06 0.00 3.09 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 E 8.35 3.75 0.00 2.00 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 2.39 2.48 0.00 46 A 7.83 3.91 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 47 Y 7.74 4.31 0.00 2.99 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 K 8.15 3.90 0.00 1.75 1.82 0.00 1.82 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.38 1.33 7.81 49 K 8.55 4.18 0.00 1.71 1.85 0.00 1.79 0.00 0.00 1.65 0.00 0.00 2.90 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.38 1.33 7.81 50 A 7.76 4.22 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 51 A 8.09 4.17 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 52 L 8.56 4.19 0.00 1.71 1.60 0.92 0.40 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 53 D 8.40 4.93 0.00 2.72 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 A 7.49 4.29 1.25 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 0.00 0.00 0.00