NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 V 4.2353 7.9133 120.4693 61.6619 33.5459 174.5982 3 D 5.1365 8.5803 122.2604 54.0279 42.6738 173.5455 4 Y 5.0699 8.8415 117.4968 56.3581 43.2073 173.8031 5 I 4.8834 8.6402 122.3826 59.1022 40.9606 174.6787 6 V 4.2329 9.0814 130.1009 63.1813 31.7726 175.9668 7 E 4.0320 9.7647 127.9223 56.6803 31.2776 175.9207 8 Y 4.7445 7.7686 115.4488 55.7345 41.7446 174.7317 9 D 4.9309 9.0137 123.2664 54.5113 41.8752 174.5954 10 Y 4.9360 9.7269 126.9546 55.9669 42.2065 173.5516 11 D 4.9118 7.9825 125.8985 52.1849 42.3234 176.0261 12 A 4.0036 8.0777 127.8965 52.4194 18.1658 177.1532 13 V 3.6111 8.3507 122.9710 66.1868 31.9122 175.9789 14 H 4.7196 7.7724 115.2041 54.0911 30.5952 174.1132 15 D 4.4612 8.5125 119.1054 56.7856 41.2962 176.1681 16 D 4.7602 7.9998 116.8783 53.3497 40.7542 175.5766 17 E 4.8486 7.9473 119.1545 55.3853 31.0320 175.1895 18 L 4.4128 9.2017 127.3764 54.7565 43.1145 177.2657 19 T 4.8489 8.9493 124.0102 62.2122 67.5495 173.1195 20 I 4.2324 8.3332 119.2970 60.1547 39.8681 175.1376 21 R 5.0914 8.7517 124.0521 53.8505 33.4683 175.4100 22 V 3.6500 8.6019 122.1765 65.1010 31.5896 175.7200 23 G 4.0770 9.3195 116.3547 45.3781 0.0000 173.6513 24 E 4.3149 8.3476 119.4341 56.1933 31.0533 175.7634 25 I 4.8569 8.1841 122.5695 59.7513 39.5008 174.9836 26 I 4.2747 8.6626 128.7508 59.7114 39.0107 175.0767 27 R 4.4407 8.9028 128.6540 56.2080 30.9961 175.4445 28 N 4.2029 8.8667 123.3900 54.3345 35.5101 173.0669 29 V 4.5355 8.6874 117.2020 62.1685 32.4044 175.8110 30 K 4.6505 9.1036 128.0269 54.4184 35.4634 175.2731 31 K 4.4658 8.3869 122.8719 55.8524 33.1906 176.3221 32 L 4.5755 7.8108 127.6622 53.4492 43.8129 176.4534 33 Q 4.1693 8.6764 116.7893 56.8827 29.1208 175.8023 34 E 4.5438 7.8150 119.3406 54.1549 30.5408 175.0861 35 E 4.0303 8.7594 124.4604 58.5582 29.8583 177.2704 36 G 3.5866 9.4712 111.9056 44.5300 0.0000 171.7377 37 W 5.5372 8.1033 118.8697 54.6309 33.0654 174.5202 38 L 4.6404 8.5462 123.3394 52.5922 45.6603 174.8320 39 E 4.8234 8.8205 121.1018 54.5402 32.2872 174.8643 40 G 4.6841 9.1359 112.7422 44.7288 0.0000 171.4732 41 E 5.1008 9.5225 122.6312 54.7953 30.4220 174.4546 42 L 4.8245 8.6498 129.4394 53.8559 45.6847 176.3331 43 N 3.9820 9.7619 120.6665 54.1921 35.9899 175.0143 44 G 3.9960 9.1703 105.1960 45.2355 0.0000 173.8199 45 R 4.7368 7.8135 114.9643 54.2964 33.3963 174.3233 46 R 4.8939 8.6999 120.3055 55.4092 31.2868 175.6592 47 G 4.3110 9.0988 111.1376 45.2122 0.0000 169.9013 48 M 5.7442 9.1371 118.9402 52.7519 34.4579 175.7650 49 F 5.2803 7.4124 116.9241 53.8631 42.2644 172.2986 50 P 4.4565 0.0000 0.0000 62.2151 31.5537 176.9927 51 D 4.2896 8.1964 121.1617 57.4935 41.3732 177.1131 52 N 4.9126 8.1417 112.9551 54.0929 38.7515 175.0588 53 F 4.9711 8.4418 118.0970 57.6604 41.3571 175.8986 54 V 5.0869 7.8357 109.9717 59.2865 34.4908 175.1414 55 K 4.5941 9.2819 126.0964 54.1390 34.3490 174.9120 56 E 2.5400 8.2543 128.0816 56.6331 30.1349 177.0759 57 I 4.0280 8.3473 127.8693 60.2863 36.6993 176.3130 58 K 4.1004 8.1642 125.0999 56.3328 32.1091 177.1227 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 2 V 7.91 4.24 2.16 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 1.25 0.00 0.00 1.01 0.00 0.00 3 D 8.58 5.14 0.00 2.75 2.68 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 4 Y 8.84 5.07 0.00 2.87 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 5 I 8.64 4.88 1.86 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 1.26 1.58 1.00 0.00 0.00 6 V 9.08 4.23 2.24 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 1.00 0.00 0.00 0.94 0.00 0.00 7 E 9.76 4.03 0.00 1.62 1.52 0.00 0.00 0.00 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 2.37 0.00 8 Y 7.77 4.74 0.00 2.07 2.24 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 0.00 9 D 9.01 4.93 0.00 2.77 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 10 Y 9.73 4.94 0.00 2.92 2.84 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 0.00 0.00 0.00 0.00 11 D 7.98 4.91 0.00 2.35 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 0.00 0.00 0.00 0.00 12 A 8.08 4.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.35 3.61 2.09 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 0.81 0.00 0.00 0.92 0.00 0.00 14 H 7.77 4.72 0.00 3.08 3.25 0.00 5.75 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 D 8.51 4.46 0.00 2.61 2.68 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 16 D 8.00 4.76 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 17 E 7.95 4.85 0.00 2.10 2.19 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 2.17 2.24 0.00 18 L 9.20 4.41 0.00 1.98 1.84 1.21 1.24 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 19 T 8.95 4.85 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 1.29 0.00 0.00 20 I 8.33 4.23 1.87 0.00 0.00 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 1.60 1.25 0.70 0.00 0.00 21 R 8.75 5.09 0.00 1.94 1.86 0.00 3.18 0.00 0.00 3.12 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.59 0.00 22 V 8.60 3.65 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 0.70 0.00 0.00 0.92 0.00 0.00 23 G 9.32 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 24 E 8.35 4.31 0.00 1.99 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 2.32 2.48 0.00 25 I 8.18 4.86 1.87 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 0.85 0.97 0.00 0.00 26 I 8.66 4.27 1.78 0.00 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.66 0.82 0.00 0.00 27 R 8.90 4.44 0.00 1.91 1.98 0.00 3.31 0.00 0.00 3.40 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.48 0.00 28 N 8.87 4.20 0.00 2.98 2.85 0.00 0.00 6.78 7.71 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 29 V 8.69 4.54 2.40 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 0.45 0.00 0.00 1.24 0.00 0.00 30 K 9.10 4.65 0.00 1.61 1.67 0.00 1.77 0.00 0.00 1.61 0.00 0.00 2.78 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.52 1.50 7.81 31 K 8.39 4.47 0.00 1.74 1.68 0.00 1.76 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.35 1.41 7.81 32 L 7.81 4.58 0.00 1.65 1.58 0.80 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 33 Q 8.68 4.17 0.00 2.03 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.77 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 34 E 7.82 4.54 0.00 2.25 2.22 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 2.33 2.30 0.00 35 E 8.76 4.03 0.00 1.93 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 2.30 2.32 0.00 36 G 9.47 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.10 5.54 0.00 3.30 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 38 L 8.55 4.64 0.00 0.36 1.05 0.56 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 39 E 8.82 4.82 0.00 1.87 1.66 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 2.14 2.25 0.00 40 G 9.14 4.68 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 41 E 9.52 5.10 0.00 2.02 1.99 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 2.28 2.41 0.00 42 L 8.65 4.82 0.00 1.65 1.40 0.88 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 43 N 9.76 3.98 0.00 2.94 2.92 0.00 0.00 7.16 7.86 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 44 G 9.17 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.81 4.74 0.00 1.88 1.99 0.00 2.79 0.00 0.00 3.21 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.77 0.00 46 R 8.70 4.89 0.00 1.73 2.14 0.00 3.17 0.00 0.00 3.25 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 47 G 9.10 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 9.14 5.74 0.00 1.69 1.87 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.21 0.00 49 F 7.41 5.28 0.00 2.93 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 50 P 0.00 4.46 0.00 1.71 1.21 0.00 3.27 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.44 0.00 51 D 8.20 4.29 0.00 2.63 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.14 4.91 0.00 2.83 2.81 0.00 0.00 6.79 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 53 F 8.44 4.97 0.00 3.14 3.40 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 0.00 54 V 7.84 5.09 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 0.69 0.00 0.00 1.37 0.00 0.00 55 K 9.28 4.59 0.00 1.84 1.62 0.00 1.51 0.00 0.00 1.56 0.00 0.00 2.95 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.29 1.29 7.81 56 E 8.25 2.54 0.00 1.20 1.49 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 2.05 1.93 0.00 57 I 8.35 4.03 1.83 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 1.33 0.94 0.88 0.00 0.00 58 K 8.16 4.10 0.00 1.69 1.67 0.00 1.73 0.00 0.00 1.82 0.00 0.00 3.00 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.30 1.31 7.81