NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3881 8.3049 120.3289 55.4788 33.5890 175.4388 2 S 4.3264 8.2844 115.6738 59.6987 64.0176 170.5798 3 G 3.8679 8.2032 117.8422 44.0697 0.0000 173.2957 4 G 4.1990 8.2327 107.0602 43.4897 0.0000 174.4322 5 G 3.6920 8.1018 108.3363 47.9376 0.0000 176.0193 6 V 3.6558 7.6941 121.6358 64.0820 31.5453 177.8393 7 F 3.9101 8.3167 121.1005 61.4082 39.1676 177.1272 8 T 4.0180 8.5007 115.6256 66.5377 68.1723 176.2589 9 D 4.2707 7.8925 120.3037 57.2771 41.1984 178.3412 10 I 3.6559 7.8982 120.7451 64.2704 36.9656 178.4311 11 L 3.9264 8.0802 120.0524 57.6011 41.3420 179.4364 12 A 3.9905 8.5645 121.0657 54.9411 18.2128 179.4874 13 A 3.8794 8.4382 119.3900 55.2533 18.4699 179.5246 14 A 4.0417 8.4435 119.4955 55.3485 18.4261 179.9693 15 G 3.5893 8.4179 104.4524 48.2734 0.0000 176.1471 16 R 4.0929 8.2802 120.7030 58.8609 29.9904 179.0455 17 I 3.7333 8.5267 120.8816 64.3106 37.1521 177.9288 18 F 4.1046 9.1513 122.1229 61.5087 39.0831 177.1996 19 E 3.9896 8.6380 118.3478 59.7583 29.0216 179.9111 20 V 3.6383 8.1556 112.4024 64.4953 31.2932 178.5958 21 M 4.0478 8.1174 118.4573 57.9427 32.0053 178.5490 22 V 3.5124 7.7538 119.1218 65.7138 31.8572 177.8160 23 E 4.2375 8.5594 118.8449 59.6343 29.4148 179.7230 24 G 3.7139 7.8953 105.0752 47.6116 0.0000 175.2866 25 H 4.0022 7.9803 120.6472 59.0367 30.0171 176.9497 26 W 4.4927 7.6555 117.5961 58.0003 28.6561 178.2924 27 E 4.0987 8.0511 119.9274 59.6010 28.8909 178.7704 28 T 3.8717 7.6384 111.2751 64.4965 67.3361 176.8942 29 V 3.7567 7.3952 114.1133 64.1489 31.3595 178.0818 30 G 3.9233 7.5371 103.9527 47.5255 0.0000 173.7519 31 M 4.4391 8.2064 119.9086 56.9205 33.1033 177.9265 32 L 4.0270 7.7216 120.6293 59.1278 41.1265 178.8038 33 F 4.6803 9.0218 122.1222 61.1319 39.1719 176.5981 34 D 4.1997 8.1099 117.2743 57.3782 40.8240 178.1750 35 S 4.2864 7.8150 115.0205 60.7044 62.8661 175.1582 36 L 4.7862 7.9184 122.0056 55.0447 40.6388 177.1190 37 G 3.5579 8.0478 107.8319 47.3122 0.0000 175.7385 38 K 3.9120 7.7634 119.9557 59.2505 32.4792 179.0404 39 G 3.7007 7.8997 105.3390 47.6067 0.0000 175.4923 40 T 3.8674 7.8223 115.0428 65.3333 67.3490 175.6230 41 M 4.0145 7.7197 120.6256 58.7471 31.8584 178.8703 42 R 3.8735 7.8076 118.6342 59.2715 30.2494 178.5173 43 I 3.7063 7.6192 119.1225 64.4974 37.1836 177.9250 44 N 4.3887 8.6718 117.3432 56.4703 38.3513 177.4688 45 R 3.9550 8.1708 119.5797 59.6575 29.9948 178.9417 46 N 4.3847 8.3183 114.6962 56.1433 37.9986 176.8668 47 A 4.2902 8.6926 120.5526 53.6193 18.0021 177.8073 48 Y 4.3582 8.0489 114.0474 57.3405 40.1037 177.8121 49 G 3.8608 8.2979 108.8327 47.9660 0.0000 173.2180 50 S 4.6570 7.6448 115.3212 59.8143 70.0800 177.6944 51 M 4.0887 8.0583 120.1072 57.2418 31.9666 177.2206 52 G 2.9873 6.7419 108.1905 44.1084 0.0000 174.0469 53 G 4.0969 7.6939 105.2329 45.8402 0.0000 174.5177 54 G 4.0357 7.9263 106.1341 47.2584 0.0000 174.3553 55 S 4.1687 7.9494 113.8278 60.5240 62.5927 174.8159 56 L 4.4526 7.5821 118.3810 53.7946 43.2206 177.5286 57 R 3.8455 8.9182 114.8136 56.2562 27.7111 175.8340 58 G 4.0307 7.9317 102.4504 46.0565 0.0000 174.1858 59 S 4.2074 8.3230 119.5797 58.6205 63.0438 174.9770 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 8.30 4.39 0.00 2.04 2.17 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 2.51 2.59 0.00 2 S 8.28 4.33 0.00 3.90 3.79 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.20 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 4 G 8.23 4.20 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 0.00 0.00 0.00 5 G 8.10 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 V 7.69 3.66 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 1.04 0.00 0.00 0.95 0.00 0.00 7 F 8.32 3.91 0.00 3.12 3.06 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.50 4.02 4.31 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 1.25 0.00 0.00 9 D 7.89 4.27 0.00 2.90 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.90 3.66 1.63 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.57 0.61 0.00 0.00 11 L 8.08 3.93 0.00 1.80 1.72 1.20 0.90 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 12 A 8.56 3.99 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 13 A 8.44 3.88 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 14 A 8.44 4.04 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 15 G 8.42 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 R 8.28 4.09 0.00 2.14 2.01 0.00 3.31 0.00 0.00 3.19 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.84 0.00 17 I 8.53 3.73 2.03 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 1.42 0.73 0.95 0.00 0.00 18 F 9.15 4.10 0.00 3.03 3.31 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 19 E 8.64 3.99 0.00 2.44 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 2.43 2.52 0.00 20 V 8.16 3.64 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 1.08 0.00 0.00 1.02 0.00 0.00 21 M 8.12 4.05 0.00 1.79 2.05 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.69 0.00 22 V 7.75 3.51 2.17 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 1.35 0.00 0.00 0.18 0.00 0.00 23 E 8.56 4.24 0.00 2.15 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 2.67 2.51 0.00 24 G 7.90 3.71 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 0.00 25 H 7.98 4.00 0.00 3.12 3.06 0.00 5.78 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 26 W 7.66 4.49 0.00 3.53 3.21 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 27 E 8.05 4.10 0.00 2.21 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 2.64 2.49 0.00 28 T 7.64 3.87 4.20 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 1.18 0.00 0.00 29 V 7.40 3.76 2.30 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 0.60 0.00 0.00 1.41 0.00 0.00 30 G 7.54 3.92 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 0.00 0.00 0.00 31 M 8.21 4.44 0.00 2.03 2.19 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.76 0.00 32 L 7.72 4.03 0.00 1.79 1.81 0.92 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 33 F 9.02 4.68 0.00 3.10 3.21 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 34 D 8.11 4.20 0.00 2.89 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 35 S 7.82 4.29 0.00 4.13 3.95 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.92 4.79 0.00 1.78 1.72 1.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 37 G 8.05 3.56 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 K 7.76 3.91 0.00 1.82 1.76 0.00 1.52 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.47 1.42 7.81 39 G 7.90 3.70 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 0.00 0.00 0.00 40 T 7.82 3.87 4.32 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 1.30 0.00 0.00 41 M 7.72 4.01 0.00 2.03 2.27 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.52 0.00 42 R 7.81 3.87 0.00 1.82 2.14 0.00 3.10 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 43 I 7.62 3.71 2.01 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.91 0.94 0.00 0.00 44 N 8.67 4.39 0.00 2.79 2.79 0.00 0.00 7.28 7.58 0.00 0.00 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 R 8.17 3.95 0.00 2.02 2.01 0.00 3.26 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.82 0.00 46 N 8.32 4.38 0.00 2.92 2.90 0.00 0.00 7.24 7.79 0.00 0.00 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 A 8.69 4.29 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.05 4.36 0.00 3.34 2.98 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 0.00 0.00 0.00 49 G 8.30 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 S 7.64 4.66 0.00 3.85 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 51 M 8.06 4.09 0.00 1.98 2.20 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.46 0.00 52 G 6.74 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 0.00 0.00 0.00 53 G 7.69 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.93 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 55 S 7.95 4.17 0.00 3.76 3.84 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 56 L 7.58 4.45 0.00 1.60 1.60 0.86 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 57 R 8.92 3.85 0.00 1.87 1.93 0.00 3.34 0.00 0.00 3.21 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 58 G 7.93 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 S 8.32 4.21 0.00 3.77 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00