NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9934 8.3393 109.7420 45.1384 0.0000 175.3606 2 S 4.0675 9.0221 117.1098 59.2406 62.9053 173.6999 3 Q 4.5336 8.2417 119.6357 55.5914 30.6800 176.1224 4 V 3.6866 9.0685 124.5006 64.0630 30.8888 179.1076 5 F 4.6907 8.9523 123.0718 57.9891 39.6470 173.1366 6 E 3.8846 8.2134 116.1033 58.6485 29.3636 177.4295 7 Y 3.9709 8.5620 115.3747 58.0886 37.2805 169.2240 8 A 4.9402 7.3580 114.7951 50.5609 19.6267 178.3531 9 E 4.0916 8.8898 122.8410 60.4976 29.8674 180.0960 10 V 4.1830 8.0424 113.8204 60.5972 30.0418 173.4914 11 D 5.7143 7.3916 129.9484 54.9074 40.0464 177.1356 12 E 4.2198 7.3123 120.2304 55.8551 29.1855 174.7979 13 I 2.8358 6.8995 107.6709 60.8298 37.3514 174.6814 14 V 4.6509 8.3645 127.6161 63.6398 33.4472 174.6242 15 E 4.9019 7.5740 119.1779 54.5622 33.8902 174.0505 16 K 4.4195 8.1751 119.9070 57.6180 34.7637 174.6068 17 R 4.2181 7.2704 118.6167 55.8929 31.6224 176.1669 18 G 5.0660 8.2806 107.3492 45.9792 0.0000 172.5133 19 K 4.1726 7.9209 118.1117 55.7838 33.1211 177.9722 20 G 4.0737 8.8547 110.2237 48.5511 0.0000 174.6069 21 K 4.6130 7.6335 116.9186 54.2872 33.2742 176.5722 22 D 4.6388 7.6510 117.4478 54.0673 43.9644 174.7229 23 V 4.9389 7.8216 125.4669 61.9565 35.3023 172.5850 24 E 5.4188 7.6111 117.7605 56.5468 32.0553 174.8377 25 Y 4.8209 9.2710 118.1660 55.4962 41.2779 175.8073 26 L 5.0408 7.2354 135.0000 55.1929 43.1658 174.3137 27 V 5.0759 7.1296 121.1613 62.7029 32.9978 175.8235 28 R 4.6398 7.8513 114.2157 57.3070 31.1809 176.5530 29 W 4.3904 8.5939 111.5880 59.5750 27.9293 176.8191 30 K 3.9381 7.5675 120.0038 58.4725 32.8721 176.4948 31 D 4.3201 6.0500 115.8273 52.0047 40.9239 175.0697 32 G 4.2583 8.1491 112.6222 46.7299 0.0000 174.8688 33 G 3.8121 8.0891 108.3892 46.2118 0.0000 173.2851 34 D 4.8824 7.5142 117.1469 52.1210 44.6007 174.0899 35 C 4.8794 8.5241 121.9072 60.1632 28.7914 173.7568 36 E 4.8416 9.3614 119.7082 55.4595 31.4790 175.7522 37 W 4.8665 9.2078 116.3396 56.3475 28.4299 175.5646 38 V 4.9443 7.6941 119.7839 61.0399 34.4386 170.9102 39 K 3.8525 8.8985 130.2633 56.0838 32.4139 175.0258 40 G 4.1527 8.5465 108.9973 47.3417 0.0000 175.2927 41 V 3.6023 8.0540 119.0455 64.5875 31.2894 177.2083 42 H 4.4343 8.0644 116.1716 58.2869 28.9095 176.1453 43 V 3.9739 7.6373 117.2048 63.3046 32.1812 175.4642 44 A 3.5548 7.9716 119.6955 52.3113 15.0580 177.6930 45 E 3.6816 8.3393 124.0615 58.8164 30.3778 178.3015 46 D 4.6990 7.7508 116.0302 54.5177 40.5816 177.6953 47 V 4.0870 7.0694 120.3417 64.2593 32.7379 177.3251 48 A 4.1749 7.3798 120.2595 54.5972 18.3143 178.9595 49 K 4.1660 7.6336 117.7070 60.3726 31.9972 178.2728 50 D 4.3784 8.0540 118.1771 57.5147 40.8364 177.7403 51 Y 4.0378 7.2050 119.6220 61.3763 38.6593 177.4432 52 E 4.0388 8.6500 118.5024 57.4679 29.8559 181.6846 53 D 3.8801 8.4875 116.5566 56.1383 44.7022 176.8088 54 G 3.8784 7.8057 112.6587 48.2235 0.0000 175.0519 55 L 4.4819 8.3107 118.8980 55.6409 40.1471 179.7741 56 E 4.3805 9.0164 113.8852 55.1710 27.9721 175.6153 57 Y 4.5976 8.0094 123.4503 58.3636 38.6666 175.6839 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 G 8.34 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 2 S 9.02 4.07 0.00 4.17 4.04 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 3 Q 8.24 4.53 0.00 2.54 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 7.17 0.00 0.00 0.00 0.00 0.00 2.39 2.46 0.00 4 V 9.07 3.69 2.03 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 0.88 0.00 0.00 0.96 0.00 0.00 5 F 8.95 4.69 0.00 2.78 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 6 E 8.21 3.88 0.00 1.99 1.95 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 2.16 1.61 0.00 7 Y 8.56 3.97 0.00 3.35 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 8 A 7.36 4.94 1.31 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 9 E 8.89 4.09 0.00 2.11 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 0.00 2.57 2.44 0.00 10 V 8.04 4.18 2.27 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 0.80 0.00 0.00 1.10 0.00 0.00 11 D 7.39 5.71 0.00 3.01 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 12 E 7.31 4.22 0.00 1.86 1.71 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 2.12 2.17 0.00 13 I 6.90 2.84 1.78 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 -0.09 0.88 0.00 0.00 14 V 8.36 4.65 2.32 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 0.81 0.00 0.00 1.27 0.00 0.00 15 E 7.57 4.90 0.00 1.91 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 2.07 0.00 16 K 8.18 4.42 0.00 0.95 1.53 0.00 1.60 0.00 0.00 2.61 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.24 1.33 7.81 17 R 7.27 4.22 0.00 1.91 1.73 0.00 3.25 0.00 0.00 3.43 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.65 0.00 18 G 8.28 5.07 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 K 7.92 4.17 0.00 2.03 1.79 0.00 1.79 0.00 0.00 1.75 0.00 0.00 2.93 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.52 1.58 7.81 20 G 8.85 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 K 7.63 4.61 0.00 1.71 1.75 0.00 1.85 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.34 1.40 7.81 22 D 7.65 4.64 0.00 2.68 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.82 4.94 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 1.08 0.00 0.00 24 E 7.61 5.42 0.00 2.20 2.04 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 2.15 2.31 0.00 25 Y 9.27 4.82 0.00 2.76 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 26 L 7.24 5.04 0.00 1.63 0.82 0.92 -0.31 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 27 V 7.13 5.08 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 1.02 0.00 0.00 0.78 0.00 0.00 28 R 7.85 4.64 0.00 2.28 2.20 0.00 2.58 0.00 0.00 3.34 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 29 W 8.59 4.39 0.00 3.37 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 30 K 7.57 3.94 0.00 1.20 1.00 0.00 1.52 0.00 0.00 1.61 0.00 0.00 3.04 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.14 1.19 7.81 31 D 6.05 4.32 0.00 3.07 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 32 G 8.15 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.09 3.81 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 0.00 0.00 0.00 34 D 7.51 4.88 0.00 2.63 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 35 C 8.52 4.88 0.00 3.56 3.56 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 36 E 9.36 4.84 0.00 2.10 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 2.26 1.64 0.00 37 W 9.21 4.87 0.00 3.26 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 38 V 7.69 4.94 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 0.82 0.00 0.00 0.97 0.00 0.00 39 K 8.90 3.85 0.00 2.09 1.92 0.00 1.65 0.00 0.00 1.81 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.53 1.45 7.81 40 G 8.55 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 0.00 0.00 0.00 0.00 41 V 8.05 3.60 2.04 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 0.51 0.00 0.00 0.87 0.00 0.00 42 H 8.06 4.43 0.00 3.21 3.39 0.00 5.69 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 V 7.64 3.97 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 0.78 0.00 0.00 1.12 0.00 0.00 44 A 7.97 3.55 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 45 E 8.34 3.68 0.00 2.21 1.93 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 2.47 2.62 0.00 46 D 7.75 4.70 0.00 2.63 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 V 7.07 4.09 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 0.98 0.00 0.00 0.84 0.00 0.00 48 A 7.38 4.17 0.84 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 0.00 0.00 49 K 7.63 4.17 0.00 2.26 1.88 0.00 1.81 0.00 0.00 1.86 0.00 0.00 3.20 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.57 1.67 7.81 50 D 8.05 4.38 0.00 2.64 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.21 4.04 0.00 3.10 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 52 E 8.65 4.04 0.00 2.14 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 2.50 2.64 0.00 53 D 8.49 3.88 0.00 2.82 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 54 G 7.81 3.88 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 0.00 0.00 0.00 55 L 8.31 4.48 0.00 1.57 0.70 1.06 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 56 E 9.02 4.38 0.00 2.18 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 0.00 2.45 2.58 0.00 57 Y 8.01 4.60 0.00 3.01 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