NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 R 4.3013 8.1127 119.7052 56.0405 31.5937 173.6874 5 E 4.7500 8.2182 119.5124 53.1698 32.6894 173.6130 6 C 4.3632 9.7068 127.7268 59.5544 32.5600 173.5605 7 D 4.5022 8.7037 127.3982 56.1252 39.9827 175.9040 8 Y 4.4014 7.2096 118.2396 58.7489 40.8648 176.2208 9 C 4.0083 8.0719 114.3510 58.9637 30.7442 175.4469 10 G 3.9217 8.3636 107.8686 45.0307 0.0000 173.2391 11 T 4.3764 7.6748 109.8280 61.4237 70.5531 173.0882 12 D 4.9605 8.5076 121.3628 54.1112 41.9592 176.6412 13 I 4.2072 8.0953 123.9082 59.7146 37.7650 175.4408 14 E 3.8522 9.0011 128.9500 55.6120 29.6669 174.4245 15 P 4.3269 0.0000 0.0000 64.6814 31.4387 176.0379 16 G 3.8499 9.8761 108.1122 46.4454 0.0000 172.8169 17 T 4.4750 7.4037 114.2128 62.8035 72.8534 174.1776 18 G 4.0817 9.0373 109.6636 45.6383 0.0000 172.4697 19 T 4.8454 8.5083 113.4692 61.8708 73.2337 173.2029 20 M 5.1048 8.7140 123.3637 53.8778 34.5786 174.3580 21 F 4.7687 9.4014 129.8156 57.0957 41.3310 174.5421 22 V 4.3399 7.6109 126.5767 61.3785 31.9628 175.1878 23 H 4.1245 8.6266 125.8955 55.0679 29.4750 176.8634 24 K 3.8160 8.7885 122.1418 59.8455 31.8130 177.5829 25 D 4.4599 7.9700 114.8936 53.9015 39.6228 176.5347 26 G 3.9456 7.9862 107.7959 45.2722 0.0000 173.9822 27 A 4.2728 8.8226 122.1186 52.7686 19.7939 176.5517 28 T 5.1575 8.2487 114.2833 62.2528 72.6120 173.9510 29 T 4.6254 8.9413 121.8899 62.1094 72.2330 172.7270 30 H 4.9924 9.9622 125.3620 54.9237 30.1246 174.5109 31 F 5.2846 9.4465 123.4451 56.0737 40.8299 176.9130 32 C 4.4423 9.0485 116.4215 59.8476 30.8011 173.6802 33 S 4.6159 7.6205 114.2846 56.1795 66.3281 175.4831 34 S 4.7281 8.3935 118.2980 60.8860 62.7586 175.9159 35 K 3.8205 8.0768 123.0930 59.6323 31.7517 178.0720 36 C 4.1723 7.7030 115.1458 62.8269 28.1243 175.8027 37 E 2.5400 7.5329 119.6466 59.2325 28.7397 179.3764 38 N 4.1853 8.3915 115.6349 56.3313 38.7882 177.0134 39 N 4.4961 8.1911 117.6959 56.0037 38.5921 177.4153 40 A 4.0731 7.5981 122.2735 55.3394 18.3451 179.4164 41 D 4.5268 7.7930 115.5851 56.7148 40.8884 178.0311 42 L 4.3858 7.4010 117.4942 54.4336 41.8964 177.4834 43 G 3.9554 8.3983 107.6025 45.7237 0.0000 174.0138 44 R 4.3098 7.8120 117.6795 55.3696 31.2041 175.5612 45 E 4.5469 8.5182 120.4913 54.3308 31.4978 176.7931 46 A 3.4301 8.1515 126.9656 55.2877 18.3881 179.6932 47 R 3.8052 7.6850 113.3920 59.0267 30.1897 177.1967 48 N 4.5048 8.2463 113.2001 53.1965 39.0614 174.7924 49 L 4.4358 7.2206 119.9155 52.7294 41.9354 176.8588 50 E 3.8884 8.8847 124.9508 59.1192 29.4989 178.9204 51 W 4.3953 7.8295 113.6518 58.2902 28.9126 176.4044 52 T 3.7706 7.2196 118.2859 62.9661 68.4033 174.7765 53 D 4.3584 8.9694 126.8755 58.0642 41.0446 178.0473 54 T 3.8583 7.9501 114.2896 66.8270 68.6668 175.1422 55 A 4.0114 7.8739 122.1599 55.2714 18.5623 177.5485 56 R 4.0811 8.0347 118.3887 56.5812 30.0329 176.5029 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 4 R 8.11 4.30 0.00 1.88 1.89 0.00 3.00 0.00 0.00 3.21 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.59 0.00 5 E 8.22 4.75 0.00 1.94 1.75 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 2.15 2.47 0.00 6 C 9.71 4.36 0.00 3.08 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 D 8.70 4.50 0.00 2.53 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.21 4.40 0.00 2.95 3.02 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 9 C 8.07 4.01 0.00 3.11 3.37 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 10 G 8.36 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 11 T 7.67 4.38 4.30 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 1.34 0.00 0.00 12 D 8.51 4.96 0.00 2.61 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 13 I 8.10 4.21 1.90 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.63 0.96 0.00 0.00 14 E 9.00 3.85 0.00 2.06 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 15 P 0.00 4.33 0.00 2.22 2.08 0.00 3.88 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.00 0.00 16 G 9.88 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 17 T 7.40 4.47 4.57 0.00 0.00 0.00 0.00 0.00 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 18 G 9.04 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 0.00 0.00 0.00 19 T 8.51 4.85 4.49 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 1.31 0.00 0.00 20 M 8.71 5.10 0.00 1.97 1.86 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.36 0.00 21 F 9.40 4.77 0.00 3.33 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 22 V 7.61 4.34 1.84 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 0.74 0.00 0.00 0.83 0.00 0.00 23 H 8.63 4.12 0.00 3.35 3.27 0.00 5.69 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 K 8.79 3.82 0.00 1.75 1.89 0.00 1.80 0.00 0.00 1.78 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.45 7.81 25 D 7.97 4.46 0.00 2.83 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 G 7.99 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 0.00 0.00 0.00 27 A 8.82 4.27 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.25 5.16 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 1.17 0.00 0.00 29 T 8.94 4.63 4.30 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 0.57 0.00 0.00 30 H 9.96 4.99 0.00 3.16 3.26 0.00 5.79 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 F 9.45 5.28 0.00 3.03 2.93 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 0.00 0.00 0.00 32 C 9.05 4.44 0.00 3.16 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 33 S 7.62 4.62 0.00 4.04 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 34 S 8.39 4.73 0.00 3.97 4.09 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 0.00 0.00 0.00 0.00 35 K 8.08 3.82 0.00 1.73 1.83 0.00 1.38 0.00 0.00 1.37 0.00 0.00 2.13 0.00 0.00 2.38 0.00 0.00 0.00 0.00 1.42 1.38 7.81 36 C 7.70 4.17 0.00 3.41 3.12 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 0.00 0.00 0.00 0.00 37 E 7.53 2.54 0.00 1.76 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 2.08 0.00 38 N 8.39 4.19 0.00 2.70 2.78 0.00 0.00 7.15 5.65 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 39 N 8.19 4.50 0.00 2.99 3.09 0.00 0.00 6.90 6.93 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 40 A 7.60 4.07 1.23 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 0.00 0.00 0.00 0.00 0.00 0.00 41 D 7.79 4.53 0.00 2.69 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 42 L 7.40 4.39 0.00 1.84 1.72 0.94 1.35 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 43 G 8.40 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 44 R 7.81 4.31 0.00 2.17 1.99 0.00 3.30 0.00 0.00 3.37 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.71 0.00 45 E 8.52 4.55 0.00 1.97 1.79 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 2.33 2.29 0.00 46 A 8.15 3.43 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.68 3.81 0.00 1.72 1.91 0.00 3.13 0.00 0.00 3.16 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.54 0.00 48 N 8.25 4.50 0.00 2.64 2.82 0.00 0.00 6.93 7.39 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 49 L 7.22 4.44 0.00 1.30 0.91 1.13 0.78 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 50 E 8.88 3.89 0.00 2.02 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 0.00 2.31 2.32 0.00 51 W 7.83 4.40 0.00 3.57 3.23 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 0.00 0.00 0.00 0.00 52 T 7.22 3.77 4.01 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 0.00 0.00 0.97 0.00 0.00 53 D 8.97 4.36 0.00 2.82 2.74 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 54 T 7.95 3.86 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 1.07 0.00 0.00 55 A 7.87 4.01 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.03 4.08 0.00 1.92 1.84 0.00 3.22 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.78 0.00