NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.1844 8.2549 119.6878 54.8931 31.8281 175.0679 2 P 4.0232 0.0000 0.0000 62.2155 31.8169 176.3645 3 D 4.4056 8.3877 121.6680 56.9648 41.7862 178.5847 4 F 4.3420 7.9043 114.7280 59.6595 37.5997 177.7598 5 C 4.7121 7.5527 116.1813 59.0636 40.0336 174.6496 6 L 4.3810 7.7954 118.8631 53.9320 42.0580 176.3847 7 E 4.3706 7.4864 119.3873 54.6314 30.3780 174.9261 8 P 4.3892 0.0000 0.0000 61.5022 32.1167 174.4010 9 P 3.5603 0.0000 0.0000 62.7352 31.3173 175.1879 10 Y 4.6555 7.8417 121.0699 56.1168 40.5473 175.4074 11 T 4.1817 8.3306 125.2140 65.0787 68.8867 176.0319 12 G 3.6455 6.8352 105.1414 43.9793 0.0000 171.1810 13 P 4.1826 0.0000 0.0000 64.5452 32.0364 177.7435 14 C 4.2020 7.6880 116.6506 56.7139 40.7016 173.2924 15 W 5.2386 8.2472 119.9728 56.8558 28.9528 176.4992 16 A 4.3991 7.8751 121.1558 51.0547 20.4349 177.8468 17 R 4.7570 8.0490 117.2417 54.5705 29.5527 172.9440 18 I 4.4184 8.3809 122.3931 59.1270 39.7524 175.3723 19 I 4.2191 8.2964 128.4045 61.3144 37.7598 175.4353 20 R 4.8646 8.3883 124.7949 54.7805 35.1735 173.3830 21 Y 5.6316 9.5059 117.6457 56.5433 41.2989 175.3424 22 F 5.7702 9.5398 116.9703 55.4283 42.1244 172.8272 23 Y 4.4847 10.0765 122.5302 57.0643 40.2278 173.9748 24 N 4.8296 7.9773 125.7069 51.2970 38.7473 174.6325 25 A 3.8301 8.2722 129.2298 54.8389 18.8074 178.9481 26 K 4.0327 8.0689 114.5115 58.8637 32.1691 177.8579 27 A 4.3062 7.9650 119.3505 51.5820 20.1392 177.7432 28 G 4.0320 8.4453 103.5025 45.1087 0.0000 172.7225 29 L 4.9621 6.9587 117.8972 52.7816 46.5664 175.8474 30 C 4.9390 8.6931 117.5695 56.3998 40.3873 173.2902 31 Q 4.9165 8.5563 121.6389 54.1029 32.5306 174.7810 32 T 4.8522 8.4149 110.7931 61.4411 70.7008 173.5702 33 F 4.9873 8.8109 116.8013 56.1416 42.0073 172.7481 34 V 4.4330 8.4341 119.6765 61.8790 32.4788 174.1066 35 Y 4.8428 8.8903 129.8611 55.9625 40.5051 176.4775 36 G 3.7873 8.3226 113.4497 46.4087 0.0000 175.0773 37 G 3.7615 6.2901 107.5441 45.1920 0.0000 172.4796 38 C 4.9704 6.7680 111.9593 54.7361 44.6683 173.1702 39 R 3.8371 8.8524 116.4901 56.9962 27.0526 176.7974 40 A 4.1782 8.3912 119.3868 52.5301 18.8922 178.6494 41 K 4.2999 8.3355 121.3116 55.1934 33.6394 177.3687 42 R 3.4897 7.9884 117.9352 58.8065 30.3785 177.5742 43 N 4.8284 7.7322 118.0294 51.3927 37.4349 174.1528 44 N 5.1310 6.6249 116.5353 52.7711 41.6955 173.1233 45 F 5.0431 9.5379 124.6988 55.6271 42.5779 176.4327 46 K 4.4726 8.8667 121.7697 58.1592 32.7756 177.8460 47 S 4.4495 7.7681 112.8685 55.4492 67.2403 174.5976 48 A 3.3795 7.2594 124.7909 54.8460 18.0320 179.8009 49 E 3.7216 7.7709 117.3776 59.5580 29.7179 178.5567 50 D 4.2641 7.8980 118.8396 57.4329 40.8697 178.0404 51 C 2.4500 7.5749 118.5049 59.1218 44.4018 175.7195 52 L 3.8292 7.9459 120.8510 57.7541 40.9319 179.7000 53 R 3.9317 7.9177 117.0885 58.5930 29.9987 178.1892 54 T 4.3582 7.1254 114.0144 64.2243 69.7926 174.6699 55 C 4.5207 8.2278 115.8792 55.6489 42.1271 174.0756 56 G 3.7968 7.3416 109.2588 47.3829 0.0000 174.1795 57 G 3.8623 8.9128 111.9364 45.0997 0.0000 173.1422 58 A 4.0646 7.2725 127.2824 52.3837 18.2446 177.3111 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 R 8.25 4.18 0.00 1.65 1.69 0.00 3.35 0.00 0.00 3.09 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.61 0.00 2 P 0.00 4.02 0.00 0.67 1.52 0.00 3.23 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 2.02 0.00 3 D 8.39 4.41 0.00 2.69 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.90 4.34 0.00 3.21 3.34 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 5 C 7.55 4.71 0.00 2.99 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 6 L 7.80 4.38 0.00 1.75 1.76 0.94 1.15 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 7 E 7.49 4.37 0.00 2.19 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 2.41 2.44 0.00 8 P 0.00 4.39 0.00 2.06 2.00 0.00 3.78 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 9 P 0.00 3.56 0.00 0.67 0.49 0.00 3.22 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.53 0.00 10 Y 7.84 4.66 0.00 2.78 2.89 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 11 T 8.33 4.18 4.15 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 1.22 0.00 0.00 12 G 6.84 3.65 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 0.00 0.00 0.00 13 P 0.00 4.18 0.00 1.96 2.08 0.00 3.72 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.94 0.00 14 C 7.69 4.20 0.00 2.75 2.91 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 15 W 8.25 5.24 0.00 3.41 2.91 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 16 A 7.88 4.40 1.15 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 0.00 0.00 17 R 8.05 4.76 0.00 1.75 1.77 0.00 3.20 0.00 0.00 3.20 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.61 0.00 18 I 8.38 4.42 2.01 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.58 0.97 0.00 0.00 19 I 8.30 4.22 1.82 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 1.27 0.42 0.70 0.00 0.00 20 R 8.39 4.86 0.00 0.81 1.88 0.00 3.43 0.00 0.00 3.21 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.55 0.00 21 Y 9.51 5.63 0.00 3.17 3.04 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 22 F 9.54 5.77 0.00 3.11 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 23 Y 10.08 4.48 0.00 3.10 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 24 N 7.98 4.83 0.00 2.35 2.43 0.00 0.00 6.72 8.83 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 25 A 8.27 3.83 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 26 K 8.07 4.03 0.00 1.90 1.87 0.00 1.70 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.39 7.81 27 A 7.97 4.31 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.45 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 29 L 6.96 4.96 0.00 1.49 1.47 0.90 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 30 C 8.69 4.94 0.00 2.88 3.13 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 0.00 0.00 0.00 31 Q 8.56 4.92 0.00 1.41 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.85 0.00 0.00 0.00 0.00 0.00 2.13 1.90 0.00 32 T 8.41 4.85 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 0.80 0.00 0.00 33 F 8.81 4.99 0.00 3.04 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 34 V 8.43 4.43 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 0.74 0.00 0.00 0.92 0.00 0.00 35 Y 8.89 4.84 0.00 2.53 2.72 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 36 G 8.32 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 0.00 0.00 0.00 37 G 6.29 3.76 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 0.00 0.00 0.00 0.00 0.00 0.00 38 C 6.77 4.97 0.00 3.02 2.94 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 0.00 0.00 0.00 39 R 8.85 3.84 0.00 2.24 2.23 0.00 3.23 0.00 0.00 3.30 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.65 0.00 40 A 8.39 4.18 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.34 4.30 0.00 1.72 1.67 0.00 1.60 0.00 0.00 1.54 0.00 0.00 2.50 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.12 1.05 7.81 42 R 7.99 3.49 0.00 0.81 0.66 0.00 2.55 0.00 0.00 2.91 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.24 0.00 43 N 7.73 4.83 0.00 3.23 2.90 0.00 0.00 6.69 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 44 N 6.62 5.13 0.00 2.67 2.55 0.00 0.00 7.08 7.02 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 45 F 9.54 5.04 0.00 3.29 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 46 K 8.87 4.47 0.00 1.84 1.95 0.00 1.76 0.00 0.00 1.81 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.51 1.48 7.81 47 S 7.77 4.45 0.00 3.84 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 48 A 7.26 3.38 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 7.77 3.72 0.00 1.94 1.86 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 2.30 2.33 0.00 50 D 7.90 4.26 0.00 2.96 2.87 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 51 C 7.57 2.45 0.00 2.74 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 52 L 7.95 3.83 0.00 1.71 1.61 0.87 0.84 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 53 R 7.92 3.93 0.00 1.83 1.93 0.00 3.10 0.00 0.00 3.19 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.73 0.00 54 T 7.13 4.36 4.13 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 0.00 0.00 1.61 0.00 0.00 55 C 8.23 4.52 0.00 2.74 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 0.00 0.00 0.00 0.00 56 G 7.34 3.80 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 0.00 0.00 0.00 0.00 0.00 0.00 57 G 8.91 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 58 A 7.27 4.06 1.04 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