NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3980 8.3049 120.2638 54.8883 33.4418 175.2026 2 L 4.0513 8.2012 123.7640 52.7299 43.1829 172.4316 3 E 5.2282 8.7726 118.6414 54.8124 32.1862 174.9927 4 G 4.4582 9.3138 110.0358 44.7782 0.0000 170.7857 5 K 5.1317 8.4797 118.0079 54.1264 35.8870 176.4913 6 V 3.7794 8.3033 123.6251 62.7356 31.7253 176.3542 7 K 4.1948 8.8042 130.8417 58.7983 32.2527 176.5335 8 W 5.3781 7.5797 114.8564 55.6457 31.9984 173.3550 9 F 4.2325 8.7050 122.7422 57.1584 40.5436 173.6296 10 N 4.4320 8.3863 128.5643 53.3516 37.5896 175.3823 11 S 4.5357 8.5824 121.1121 60.7405 63.0126 175.1752 12 E 4.3128 8.3343 118.9379 58.7364 29.6496 177.7718 13 K 4.2292 7.9680 116.6691 56.7950 32.8309 176.8627 14 G 3.9907 8.8902 107.5079 45.7999 0.0000 172.7003 15 F 4.6685 6.2760 111.7792 55.5768 41.5614 173.4869 16 G 2.9626 7.3199 104.8380 46.0065 0.0000 172.2379 17 F 5.0499 7.1138 119.1705 55.5897 43.8786 174.1170 18 I 4.7790 8.5414 122.4272 59.5248 39.5740 175.0775 19 E 4.7338 9.0187 127.4096 56.2025 31.0643 176.5973 20 V 4.5734 8.2186 122.4730 60.0878 34.4182 173.9389 21 E 3.9102 9.1361 126.6875 57.6627 29.8200 177.1276 22 G 3.9722 8.9472 111.6834 46.0121 0.0000 172.7709 23 Q 4.6913 7.6371 117.0124 53.5673 32.8603 174.7019 24 D 4.6148 8.4591 118.8029 54.1574 41.5022 176.4732 25 D 4.8347 8.5535 121.5741 54.8109 41.9896 175.9155 26 V 4.5713 8.6162 121.0810 60.8022 34.3554 174.6623 27 F 3.7392 9.0297 130.8042 57.9903 40.8380 173.9115 28 V 4.3358 7.2493 124.8068 60.0490 34.1630 174.1048 29 H 4.9568 8.3695 124.7025 53.8933 32.0919 175.3878 30 F 4.3415 8.3135 118.6539 59.8976 37.6978 177.7894 31 S 4.1713 7.0928 114.2186 60.4313 63.0489 174.9963 32 A 4.1410 7.9883 123.9836 53.9029 18.5657 177.2535 33 I 4.2928 7.5401 117.8213 61.2221 37.5409 176.1004 34 Q 4.3077 8.5653 125.1707 54.9699 30.1712 174.7321 35 G 3.7058 8.5799 104.5697 44.5330 0.0000 172.3201 36 E 4.3815 8.3396 116.8676 55.2549 31.8480 175.9507 37 G 3.8246 8.4116 107.6139 44.3068 0.0000 172.3027 38 F 4.0151 8.7257 121.1002 58.2938 39.3990 175.6939 39 K 4.0095 7.7164 128.2253 56.2126 30.9792 175.7623 40 T 4.3623 7.5384 116.7939 60.7920 70.4546 172.3102 41 L 4.7024 6.9458 122.3855 52.7419 45.1061 175.8733 42 E 4.7891 8.2671 119.0918 53.9164 32.4645 175.5507 43 E 4.0242 8.6021 121.7524 57.7801 30.0472 177.4838 44 G 3.9246 8.8700 113.6950 45.4388 0.0000 173.0523 45 Q 4.1856 7.5670 121.8819 55.4085 30.0294 175.4449 46 K 4.7190 8.6720 126.3456 56.7705 33.0390 176.6306 47 V 4.7842 8.9850 116.5574 59.6493 36.8251 174.1907 48 R 5.3477 8.7024 122.6440 54.7229 32.5888 174.6196 49 F 5.5905 8.7502 119.8620 56.6836 42.1281 172.5299 50 E 4.8128 9.3543 118.5034 54.5327 32.8175 175.5173 51 I 4.8299 8.1606 123.3526 60.2985 38.5304 175.1503 52 V 4.4165 8.6046 127.7056 60.9823 33.9745 174.0380 53 E 4.7880 8.8503 127.6680 54.7751 32.1123 174.3801 54 G 4.4304 8.3416 119.3796 44.5268 0.0000 172.9773 55 N 4.4817 8.7478 116.7901 55.0773 37.5837 176.0398 56 R 4.0050 7.8312 116.6041 56.5215 30.6405 176.2159 57 G 3.9070 7.7563 103.8375 43.3357 0.0000 171.1550 58 P 4.8781 0.0000 0.0000 62.9734 32.3635 175.5341 59 Q 4.8630 8.7461 118.7242 55.1698 32.6069 173.0842 60 A 5.1364 8.8448 121.7769 51.8245 19.5143 176.7899 61 A 4.5892 9.1479 121.2619 49.9624 23.3941 175.4638 62 N 4.0154 8.3938 113.9291 54.2085 36.2764 175.2956 63 V 4.3453 7.8801 118.1681 62.1459 32.7482 174.6175 64 T 4.8925 8.5677 117.3165 59.8964 71.3139 174.8690 65 K 4.1673 8.6361 123.8171 58.5274 32.8679 176.8263 66 E 4.2394 7.7439 120.8650 56.6096 30.5281 175.3403 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 4.40 0.00 1.86 2.04 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.49 0.00 2 L 8.20 4.05 0.00 0.77 0.88 0.79 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 3 E 8.77 5.23 0.00 1.96 1.92 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 2.19 2.32 0.00 4 G 9.31 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.48 5.13 0.00 1.74 1.69 0.00 1.79 0.00 0.00 1.59 0.00 0.00 2.82 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.35 1.36 7.81 6 V 8.30 3.78 2.20 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 0.93 0.00 0.00 0.80 0.00 0.00 7 K 8.80 4.19 0.00 1.89 1.97 0.00 1.99 0.00 0.00 1.95 0.00 0.00 3.08 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.78 1.54 7.81 8 W 7.58 5.38 0.00 3.51 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 9 F 8.71 4.23 0.00 2.82 3.03 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 10 N 8.39 4.43 0.00 2.65 2.23 0.00 0.00 6.46 7.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 S 8.58 4.54 0.00 4.11 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 12 E 8.33 4.31 0.00 2.02 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 2.32 2.36 0.00 13 K 7.97 4.23 0.00 1.99 2.24 0.00 1.91 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.45 1.25 7.81 14 G 8.89 3.99 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 15 F 6.28 4.67 0.00 2.59 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 16 G 7.32 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 0.00 0.00 0.00 17 F 7.11 5.05 0.00 2.68 2.81 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 18 I 8.54 4.78 1.41 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.61 0.43 0.00 0.00 19 E 9.02 4.73 0.00 1.96 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 2.38 2.29 0.00 20 V 8.22 4.57 2.45 0.00 0.00 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 1.02 0.00 0.00 21 E 9.14 3.91 0.00 1.98 1.94 0.00 0.00 0.00 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 2.36 0.00 22 G 8.95 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 23 Q 7.64 4.69 0.00 2.13 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.82 6.85 0.00 0.00 0.00 0.00 0.00 2.32 2.33 0.00 24 D 8.46 4.61 0.00 2.73 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.55 4.83 0.00 2.55 2.77 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 0.00 0.00 0.00 0.00 26 V 8.62 4.57 2.06 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 1.11 0.00 0.00 1.14 0.00 0.00 27 F 9.03 3.74 0.00 2.89 2.77 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 0.00 0.00 0.00 0.00 28 V 7.25 4.34 1.77 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 0.44 0.00 0.00 0.77 0.00 0.00 29 H 8.37 4.96 0.00 3.24 3.07 0.00 5.68 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 F 8.31 4.34 0.00 3.14 3.46 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.09 4.17 0.00 3.92 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 A 7.99 4.14 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 33 I 7.54 4.29 1.89 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.48 0.80 0.00 0.00 34 Q 8.57 4.31 0.00 2.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.53 0.00 0.00 0.00 0.00 0.00 2.59 2.44 0.00 35 G 8.58 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 36 E 8.34 4.38 0.00 2.08 1.98 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 2.19 2.29 0.00 37 G 8.41 3.82 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 0.00 0.00 0.00 38 F 8.73 4.02 0.00 2.93 3.03 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 39 K 7.72 4.01 0.00 1.51 1.68 0.00 1.86 0.00 0.00 1.77 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.30 7.81 40 T 7.54 4.36 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 41 L 6.95 4.70 0.00 0.28 1.04 0.46 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 42 E 8.27 4.79 0.00 2.05 1.81 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 2.24 2.28 0.00 43 E 8.60 4.02 0.00 2.01 1.91 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 2.41 2.54 0.00 44 G 8.87 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 45 Q 7.57 4.19 0.00 2.18 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.86 6.94 0.00 0.00 0.00 0.00 0.00 2.28 2.30 0.00 46 K 8.67 4.72 0.00 1.68 1.74 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.92 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.45 1.48 7.81 47 V 8.99 4.78 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 0.69 0.00 0.00 0.79 0.00 0.00 48 R 8.70 5.35 0.00 1.95 1.78 0.00 3.19 0.00 0.00 3.23 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 49 F 8.75 5.59 0.00 3.28 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 50 E 9.35 4.81 0.00 1.89 1.82 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 2.13 2.18 0.00 51 I 8.16 4.83 1.89 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.58 0.99 0.00 0.00 52 V 8.60 4.42 2.10 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 0.94 0.00 0.00 0.95 0.00 0.00 53 E 8.85 4.79 0.00 1.98 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 2.18 2.18 0.00 54 G 8.34 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.75 4.48 0.00 2.81 2.95 0.00 0.00 5.88 7.66 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 56 R 7.83 4.01 0.00 1.78 1.94 0.00 3.11 0.00 0.00 3.17 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 57 G 7.76 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 0.00 0.00 0.00 58 P 0.00 4.88 0.00 2.17 2.11 0.00 3.81 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.01 0.00 59 Q 8.75 4.86 0.00 2.46 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.99 0.00 0.00 0.00 0.00 0.00 2.28 2.37 0.00 60 A 8.84 5.14 1.20 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 61 A 9.15 4.59 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 62 N 8.39 4.02 0.00 2.89 2.84 0.00 0.00 6.45 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 V 7.88 4.35 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 0.95 0.00 0.00 0.89 0.00 0.00 64 T 8.57 4.89 4.40 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 1.21 0.00 0.00 65 K 8.64 4.17 0.00 1.73 1.85 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.32 1.37 7.81 66 E 7.74 4.24 0.00 1.85 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.33 0.00