NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 F 5.1491 8.3249 119.4204 57.6866 40.2750 174.2325 4 R 4.3750 8.8168 124.0023 56.6652 32.4397 175.2564 5 I 4.0735 8.6222 120.7854 61.4348 39.1446 175.4165 6 R 5.2935 9.3492 125.6859 54.2048 34.4981 174.5784 7 K 4.9126 8.8933 119.7082 54.8491 36.3452 174.7807 8 C 4.0180 8.8367 123.6495 57.1921 43.8344 172.9474 9 P 4.1085 0.0000 0.0000 64.3597 31.7362 177.5565 10 K 4.1255 8.0875 118.9129 58.7624 32.4370 176.4053 11 C 4.3801 8.1074 110.7309 55.3407 42.4572 174.6418 12 G 3.6791 7.8917 107.1857 45.1642 0.0000 173.1606 13 R 4.1227 7.4469 120.9856 56.1372 31.1613 175.2575 14 Y 4.7068 8.5759 123.8723 58.3526 39.0922 174.4103 15 T 4.2894 8.5513 115.2044 62.2928 71.4961 173.3538 16 L 4.5700 8.7681 123.0127 54.4897 42.8905 177.1109 17 K 4.3877 7.7322 118.6765 56.0577 33.1184 176.2718 18 E 4.7445 8.4430 117.2740 56.0460 31.2276 176.3588 19 V 4.8350 7.5042 112.4700 58.9679 34.7657 175.6862 20 C 3.8578 9.2250 125.0124 56.6159 43.7007 173.1927 21 P 4.0982 0.0000 0.0000 64.6753 31.2122 177.2433 22 V 4.0650 7.5439 116.8985 64.6089 32.4672 175.6404 23 C 4.3253 8.0683 113.5703 56.2137 42.1961 174.7368 24 G 3.8233 7.9711 106.3858 44.7739 0.0000 172.9966 25 E 4.3832 7.6839 118.9848 55.3126 31.3894 175.9753 26 K 4.7125 8.4589 121.4951 56.8179 32.6451 177.3576 27 T 4.4211 8.7928 115.4997 61.1173 70.9865 173.6182 28 K 4.9191 8.1819 121.0914 54.0041 36.6439 175.8551 29 V 3.9806 8.3948 121.0976 63.4524 31.4531 175.9598 30 A 4.2128 8.5801 130.0067 54.7222 18.9820 178.1593 31 H 4.3207 7.7435 112.7636 54.6254 29.4033 173.6605 32 P 4.5418 0.0000 0.0000 61.4139 32.1282 174.3173 33 P 4.4154 0.0000 0.0000 62.8454 31.7867 176.8952 34 R 4.2474 8.5046 120.5247 56.1999 30.7563 175.9040 35 F 4.9689 8.6095 122.3408 56.3136 42.5726 174.1950 36 S 4.5392 6.6478 119.0017 55.5705 65.1501 173.2979 37 P 4.3649 0.0000 0.0000 65.4183 31.3654 177.8628 38 E 3.7657 8.2070 116.5540 58.2230 30.0712 177.0897 39 D 3.9404 7.4204 116.1439 54.6483 39.3079 172.5382 40 P 4.0793 0.0000 0.0000 64.9094 32.1814 177.9697 41 Y 5.1608 7.3668 113.6337 57.6874 38.5186 177.3887 42 G 4.0107 7.9018 111.2536 47.3523 0.0000 175.4674 43 E 3.8639 8.3646 121.3073 59.3979 29.4780 178.2281 44 Y 3.9730 8.0404 115.1307 59.9618 38.4018 177.6980 45 R 4.2839 8.3836 120.1018 59.5877 30.2074 178.7369 46 R 4.0735 8.1583 117.5527 58.7391 29.8893 178.9826 47 R 3.8755 7.5687 118.6161 59.1762 30.0233 178.2768 48 W 4.2994 8.3425 128.2339 60.4790 30.6919 177.8564 49 K 2.9770 8.0349 119.4963 59.0845 31.5922 179.0212 50 R 3.8541 8.4438 118.7560 59.1760 29.7060 178.6355 51 E 3.9060 7.6592 118.4311 59.1222 29.6894 178.7765 52 V 3.6287 6.9416 117.5051 66.0117 31.6959 177.7904 53 L 4.0841 7.5917 117.1430 54.9175 41.8954 177.3343 54 G 4.1232 7.7143 106.4272 43.6549 0.0000 173.9381 55 I 3.8145 8.4378 113.6004 61.2288 37.1604 175.5764 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 3 F 8.32 5.15 0.00 3.10 3.01 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 0.00 4 R 8.82 4.37 0.00 1.94 2.01 0.00 3.24 0.00 0.00 3.27 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.77 0.00 5 I 8.62 4.07 1.94 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.62 1.05 0.00 0.00 6 R 9.35 5.29 0.00 1.82 1.92 0.00 3.10 0.00 0.00 3.47 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.81 0.00 7 K 8.89 4.91 0.00 1.19 0.95 0.00 0.82 0.00 0.00 1.38 0.00 0.00 2.57 0.00 0.00 2.38 0.00 0.00 0.00 0.00 1.09 1.15 7.81 8 C 8.84 4.02 0.00 3.07 3.10 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 9 P 0.00 4.11 0.00 2.06 2.07 0.00 3.69 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.04 0.00 10 K 8.09 4.13 0.00 1.67 1.80 0.00 1.64 0.00 0.00 1.75 0.00 0.00 3.11 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.38 1.46 7.81 11 C 8.11 4.38 0.00 3.09 3.17 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 0.00 0.00 0.00 0.00 12 G 7.89 3.68 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 R 7.45 4.12 0.00 1.94 1.77 0.00 3.26 0.00 0.00 3.35 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.72 0.00 14 Y 8.58 4.71 0.00 2.92 2.86 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 15 T 8.55 4.29 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 1.31 0.00 0.00 16 L 8.77 4.57 0.00 1.68 1.70 0.95 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 17 K 7.73 4.39 0.00 1.78 1.77 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.42 7.81 18 E 8.44 4.74 0.00 1.92 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 2.34 2.17 0.00 19 V 7.50 4.84 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 0.69 0.00 0.00 0.93 0.00 0.00 20 C 9.22 3.86 0.00 3.16 3.15 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 21 P 0.00 4.10 0.00 2.09 2.10 0.00 3.71 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 2.04 2.08 0.00 22 V 7.54 4.06 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 0.83 0.00 0.00 0.93 0.00 0.00 23 C 8.07 4.33 0.00 3.11 3.18 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 24 G 7.97 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 25 E 7.68 4.38 0.00 1.89 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 2.38 2.27 0.00 26 K 8.46 4.71 0.00 1.64 1.75 0.00 1.76 0.00 0.00 1.76 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.39 7.81 27 T 8.79 4.42 4.22 0.00 0.00 0.00 0.00 0.00 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 28 K 8.18 4.92 0.00 1.63 1.71 0.00 1.67 0.00 0.00 1.59 0.00 0.00 2.78 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.34 1.34 7.81 29 V 8.39 3.98 2.12 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 0.86 0.00 0.00 1.01 0.00 0.00 30 A 8.58 4.21 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.74 4.32 0.00 2.61 2.84 0.00 5.71 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.54 0.00 2.18 2.06 0.00 3.50 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.09 0.00 33 P 0.00 4.42 0.00 2.18 2.13 0.00 3.74 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 2.13 2.19 0.00 34 R 8.50 4.25 0.00 1.88 1.95 0.00 3.28 0.00 0.00 3.23 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.75 0.00 35 F 8.61 4.97 0.00 2.93 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 36 S 6.65 4.54 0.00 3.59 3.28 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 37 P 0.00 4.36 0.00 2.06 2.14 0.00 3.63 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.15 0.00 38 E 8.21 3.77 0.00 1.79 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 2.25 2.30 0.00 39 D 7.42 3.94 0.00 2.76 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 40 P 0.00 4.08 0.00 0.81 1.72 0.00 3.27 0.00 0.00 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.84 0.00 41 Y 7.37 5.16 0.00 3.09 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 42 G 7.90 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 0.00 0.00 0.00 0.00 43 E 8.36 3.86 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 1.47 2.08 0.00 44 Y 8.04 3.97 0.00 3.21 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 45 R 8.38 4.28 0.00 2.23 2.28 0.00 3.40 0.00 0.00 3.39 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.05 0.00 46 R 8.16 4.07 0.00 1.95 1.97 0.00 3.19 0.00 0.00 3.11 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.98 0.00 47 R 7.57 3.88 0.00 1.87 2.15 0.00 3.23 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.66 0.00 48 W 8.34 4.30 0.00 3.46 3.45 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 0.00 0.00 0.00 0.00 49 K 8.03 2.98 0.00 1.73 1.72 0.00 1.61 0.00 0.00 1.52 0.00 0.00 2.80 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.15 0.87 7.81 50 R 8.44 3.85 0.00 1.81 1.93 0.00 3.17 0.00 0.00 3.07 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.85 0.00 51 E 7.66 3.91 0.00 1.92 2.15 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 2.34 2.32 0.00 52 V 6.94 3.63 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 0.75 0.00 0.00 0.52 0.00 0.00 53 L 7.59 4.08 0.00 1.59 1.64 0.81 0.67 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 54 G 7.71 4.12 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 0.00 0.00 0.00 55 I 8.44 3.81 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.62 0.90 0.00 0.00