NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6252 8.1476 118.3182 55.5668 33.3498 173.3166 2 E 4.9931 8.3939 114.8005 54.9766 32.6011 172.9728 3 A 4.7347 9.5988 123.4479 50.5564 23.9409 176.2280 4 I 4.6229 8.2816 120.6574 59.9889 39.0914 175.0978 5 A 4.3356 8.7643 129.4624 52.8444 18.6403 177.7088 6 K 4.1934 8.9873 125.1299 58.2999 33.1117 177.4185 7 V 4.6735 7.6086 117.1921 59.2920 34.3623 175.1763 8 D 4.6102 8.7444 122.8410 53.5122 40.4223 175.1743 9 F 4.1139 8.2191 126.1854 56.7425 40.4975 174.4513 10 K 4.7142 7.8827 129.0720 54.5042 31.2342 175.0277 11 A 4.1573 8.2069 128.0472 52.0973 19.4079 177.7753 12 T 4.0818 8.5046 119.2474 65.9573 69.3222 175.3750 13 A 4.2365 7.7083 124.2685 51.7531 19.6899 177.1892 14 D 4.9193 8.4710 124.5100 52.4039 39.9966 173.5837 15 D 4.9695 7.6471 121.7833 54.4764 47.3800 176.9711 16 E 4.2966 7.7899 119.5799 55.3782 29.9283 176.9052 17 L 4.1811 8.7818 128.3478 55.4088 42.6575 176.1281 18 S 5.2046 8.9254 121.8603 57.6421 63.6391 172.8545 19 F 5.1460 8.7743 120.3868 56.0209 41.6004 173.0063 20 K 5.1177 9.5861 119.9586 54.2222 35.0177 176.0360 21 R 4.2167 8.6333 119.9563 58.3148 29.0572 175.2824 22 G 4.1009 9.2068 116.0279 45.9854 0.0000 174.1141 23 D 4.4806 8.2982 119.5241 54.8574 42.2517 176.8653 24 I 4.4042 8.2827 122.7631 60.4165 37.4133 175.4212 25 L 4.2129 8.5286 128.7480 53.2927 42.2942 175.6163 26 K 4.5421 8.5834 126.8820 55.2661 33.5528 175.6066 27 V 4.1328 8.4737 128.5148 62.6014 31.9656 175.2520 28 L 4.3005 8.5957 127.8040 56.5282 42.6667 177.1806 29 N 5.0053 8.6002 123.7438 52.6684 40.2314 173.9909 30 E 4.3497 8.7358 124.8310 57.7204 30.6119 176.9252 31 E 4.6225 7.9069 120.7105 54.8695 27.3095 174.9201 32 S 4.6015 7.9591 119.2663 58.0441 69.7316 174.9549 33 D 4.7519 7.7128 115.9953 52.1817 42.1069 175.3297 34 Q 4.2575 8.8359 122.8047 59.5394 29.7016 176.9162 35 N 4.2468 8.3520 114.9646 55.6946 39.2393 174.9352 36 W 4.9086 8.7658 119.6190 55.0890 31.6266 174.4988 37 Y 4.8777 8.7154 123.5168 57.1445 39.5269 175.2221 38 K 4.5461 8.6176 123.5296 55.5755 33.5510 175.7559 39 A 5.0465 8.7237 126.3478 50.1082 23.8720 173.7631 40 E 4.3524 8.9961 118.9450 54.7138 31.9083 175.3641 41 L 4.1304 8.8149 131.2643 55.9418 42.8647 176.0251 42 N 4.6965 7.5803 120.2027 54.3385 45.7800 176.5374 43 G 3.7805 8.2240 106.2561 47.4755 0.0000 173.2008 44 K 4.7076 7.6036 116.9264 55.3617 35.8515 174.2802 45 D 5.2069 8.4003 117.7505 52.3425 44.9487 176.5974 46 G 3.9491 7.4840 106.3137 46.0438 0.0000 171.3904 47 F 5.2447 8.0963 117.9971 56.7379 41.0353 174.9169 48 I 4.9560 8.8975 122.7310 58.3887 40.7838 172.7572 49 P 3.8941 0.0000 0.0000 62.0379 30.8107 177.3225 50 K 3.6186 8.0721 123.7831 60.1459 32.5290 179.0300 51 N 4.6176 8.0181 115.5504 56.2210 38.8433 176.0643 52 Y 4.0807 8.2046 114.7879 59.6482 38.2746 175.6393 53 I 4.8005 7.0144 112.6745 58.8914 40.2819 175.9187 54 E 4.3560 8.7153 124.7239 55.3460 27.7720 176.3123 55 M 4.2686 7.9416 119.1029 57.5273 32.2193 177.5116 56 K 4.1717 7.7459 122.1415 56.4101 33.3702 175.7785 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 8.15 4.63 0.00 2.08 2.25 0.00 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.47 0.00 2 E 8.39 4.99 0.00 1.97 1.85 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 2.14 2.35 0.00 3 A 9.60 4.73 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 4 I 8.28 4.62 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 0.57 0.99 0.00 0.00 5 A 8.76 4.34 1.58 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 0.00 0.00 0.00 0.00 0.00 0.00 6 K 8.99 4.19 0.00 1.84 2.04 0.00 1.73 0.00 0.00 1.88 0.00 0.00 2.96 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.38 1.38 7.81 7 V 7.61 4.67 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 0.12 0.00 0.00 0.69 0.00 0.00 8 D 8.74 4.61 0.00 2.70 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 9 F 8.22 4.11 0.00 2.28 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 0.00 0.00 0.00 10 K 7.88 4.71 0.00 1.68 1.53 0.00 1.78 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.25 1.36 7.81 11 A 8.21 4.16 1.56 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 12 T 8.50 4.08 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 1.20 0.00 0.00 13 A 7.71 4.24 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 D 8.47 4.92 0.00 2.66 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.65 4.97 0.00 2.84 2.88 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 0.00 0.00 0.00 16 E 7.79 4.30 0.00 2.23 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 0.00 2.27 2.34 0.00 17 L 8.78 4.18 0.00 1.69 1.87 1.02 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 18 S 8.93 5.20 0.00 4.06 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 19 F 8.77 5.15 0.00 3.29 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 20 K 9.59 5.12 0.00 1.79 1.80 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.41 1.43 7.81 21 R 8.63 4.22 0.00 1.96 2.11 0.00 3.21 0.00 0.00 3.24 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 22 G 9.21 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 23 D 8.30 4.48 0.00 2.81 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 24 I 8.28 4.40 1.86 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 1.34 0.51 0.88 0.00 0.00 25 L 8.53 4.21 0.00 1.51 1.38 0.46 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 26 K 8.58 4.54 0.00 1.81 1.73 0.00 1.59 0.00 0.00 1.54 0.00 0.00 2.73 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.34 1.48 7.81 27 V 8.47 4.13 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 0.61 0.00 0.00 0.73 0.00 0.00 28 L 8.60 4.30 0.00 1.63 1.64 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 29 N 8.60 5.01 0.00 2.74 2.63 0.00 0.00 6.81 7.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 E 8.74 4.35 0.00 2.05 1.74 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 2.15 2.22 0.00 31 E 7.91 4.62 0.00 2.10 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 2.39 2.35 0.00 32 S 7.96 4.60 0.00 3.97 3.90 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 33 D 7.71 4.75 0.00 2.90 2.66 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 34 Q 8.84 4.26 0.00 2.09 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.27 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 35 N 8.35 4.25 0.00 3.02 2.76 0.00 0.00 6.83 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 36 W 8.77 4.91 0.00 3.21 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 37 Y 8.72 4.88 0.00 2.98 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 38 K 8.62 4.55 0.00 1.78 1.54 0.00 1.36 0.00 0.00 1.68 0.00 0.00 2.78 0.00 0.00 3.00 0.00 0.00 0.00 0.00 0.75 1.41 7.81 39 A 8.72 5.05 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 40 E 9.00 4.35 0.00 2.02 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 2.16 2.30 0.00 41 L 8.81 4.13 0.00 1.72 1.58 1.17 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 42 N 7.58 4.70 0.00 2.70 2.77 0.00 0.00 6.86 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 43 G 8.22 3.78 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 0.00 0.00 0.00 44 K 7.60 4.71 0.00 1.91 1.90 0.00 1.50 0.00 0.00 1.86 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.50 7.81 45 D 8.40 5.21 0.00 2.56 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.48 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 47 F 8.10 5.24 0.00 2.99 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 48 I 8.90 4.96 2.09 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.69 0.98 0.00 0.00 49 P 0.00 3.89 0.00 1.93 1.31 0.00 3.39 0.00 0.00 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.79 0.00 50 K 8.07 3.62 0.00 1.75 1.60 0.00 1.21 0.00 0.00 1.60 0.00 0.00 2.81 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.20 1.28 7.81 51 N 8.02 4.62 0.00 2.86 2.95 0.00 0.00 6.91 7.43 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 52 Y 8.20 4.08 0.00 3.29 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 53 I 7.01 4.80 1.95 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.80 0.93 0.00 0.00 54 E 8.72 4.36 0.00 1.93 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 2.33 2.30 0.00 55 M 7.94 4.27 0.00 2.36 2.30 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.65 0.00 56 K 7.75 4.17 0.00 1.72 1.68 0.00 1.80 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.34 1.44 7.81