NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 F 4.6935 8.3249 119.4002 57.3622 40.3860 173.8821 2 E 4.5075 8.5284 121.9030 53.4957 32.1808 174.6702 3 N 4.5729 9.4454 121.5390 53.7245 39.1128 174.1749 4 R 4.6268 8.2983 124.7389 56.0049 31.0860 178.7406 5 V 3.5771 8.4361 120.4644 66.3585 31.3609 177.5373 6 A 4.3101 8.0870 121.0766 54.7395 17.9915 179.3734 7 E 3.9564 8.0828 116.8116 59.5297 29.4813 179.6859 8 K 4.1968 8.0645 118.0712 59.4063 31.6520 179.3636 9 Q 4.0895 8.5088 119.0979 58.6054 28.3949 178.4526 10 K 3.9220 7.9917 119.7610 59.4229 32.4632 178.1357 11 L 3.9406 7.7855 120.4671 58.2375 41.8259 178.5130 12 F 4.2339 8.2599 114.5097 58.5772 39.2003 176.5885 13 Q 4.4895 7.7246 116.5536 54.3039 29.6681 175.2973 14 E 3.8462 7.2090 121.2905 56.9845 30.1074 177.2628 15 D 4.6433 8.4325 126.5605 52.9434 39.6043 174.9751 16 N 4.7986 7.9486 114.9611 51.2165 38.3353 176.5082 17 G 3.8977 8.1476 105.3729 46.1446 0.0000 174.1517 18 L 4.1991 8.0518 119.9388 53.4895 42.4963 175.1910 19 P 4.6491 0.0000 0.0000 61.6204 32.6167 177.5604 20 V 3.8159 8.3028 118.3548 64.8125 31.2794 177.4379 21 H 4.5727 8.1886 113.7632 56.5765 29.0217 175.3883 22 L 4.6797 8.1290 119.8112 54.4023 42.6137 177.6706 23 K 4.1346 7.8843 120.2849 57.8996 32.3114 177.7518 24 G 3.6335 9.0550 106.8704 46.2854 0.0000 172.4651 25 G 3.6845 7.5010 104.8290 44.0185 0.0000 174.0754 26 A 4.0315 8.7361 120.0999 55.5225 18.1594 180.0672 27 T 3.8920 7.9618 113.8918 66.8640 68.4014 176.3215 28 D 4.4132 8.1837 120.9606 57.4174 40.7627 178.5291 29 N 4.4538 8.0303 116.5461 56.2299 38.5375 177.2725 30 I 3.7142 7.7655 121.2080 64.4897 37.1975 178.2348 31 L 3.9585 8.1819 121.1544 58.2149 41.8165 178.3523 32 Y 4.1040 8.5075 119.9161 60.9356 38.7567 178.3622 33 R 3.6348 8.3865 119.1712 58.9149 30.0929 179.2747 34 V 3.5165 8.0807 118.5539 66.0963 31.4412 178.1845 35 T 3.7737 8.0235 115.7201 66.9120 68.2768 176.1652 36 M 3.8225 7.8814 120.2931 58.9110 32.0435 178.3533 37 T 3.7916 7.9312 115.8712 66.6522 68.5529 176.6648 38 L 3.9689 7.9930 120.8740 57.8414 41.5283 179.4434 39 C 4.1310 8.2921 116.8782 62.8421 28.1003 176.2138 40 L 4.0821 8.1694 120.8512 57.6844 41.1349 179.8760 41 G 3.6727 8.4832 106.1779 47.7200 0.0000 175.8775 42 G 3.7681 8.2973 108.9309 47.9812 0.0000 175.8990 43 T 3.9450 8.2320 118.4679 66.1389 68.3555 176.8118 44 L 4.0288 8.1702 121.0419 58.0626 41.6267 178.7573 45 Y 4.4277 8.4212 119.9277 60.9634 38.6064 178.4766 46 S 3.9573 8.4535 115.3557 61.4342 62.9877 176.4405 47 L 3.9804 8.2520 122.9826 57.6427 41.3071 178.8520 48 Y 4.0403 8.3778 119.6387 60.9832 38.7683 177.9871 49 C 3.9475 8.2825 118.0113 62.3516 28.2318 175.8519 50 L 3.9802 8.1097 122.2434 58.1154 41.5245 179.1062 51 G 3.7625 7.9305 104.2919 47.6458 0.0000 175.0331 52 W 4.2164 8.1587 130.7063 60.1430 30.6366 177.7996 53 A 4.0678 8.5493 118.5824 54.0983 17.9276 178.9615 54 S 3.9801 7.7093 112.2819 58.8752 63.2376 174.0165 55 F 4.7446 6.5190 118.2016 54.4281 42.0737 173.3148 56 P 4.2784 0.0000 0.0000 63.0689 31.6778 176.3424 57 H 4.4987 8.4933 117.0267 55.3035 30.0836 175.2985 58 K 4.2005 8.0445 123.2200 56.5227 31.2755 176.0245 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 F 8.32 4.69 0.00 3.07 3.09 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 0.00 0.00 0.00 0.00 2 E 8.53 4.51 0.00 2.04 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 2.22 2.38 0.00 3 N 9.45 4.57 0.00 2.71 2.79 0.00 0.00 6.91 7.65 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 4 R 8.30 4.63 0.00 1.89 1.91 0.00 3.55 0.00 0.00 3.30 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.57 0.00 5 V 8.44 3.58 2.18 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 1.10 0.00 0.00 0.97 0.00 0.00 6 A 8.09 4.31 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 7 E 8.08 3.96 0.00 2.13 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 0.00 2.34 2.37 0.00 8 K 8.06 4.20 0.00 2.02 2.09 0.00 1.93 0.00 0.00 1.97 0.00 0.00 3.00 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.74 1.55 7.81 9 Q 8.51 4.09 0.00 2.28 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.80 0.00 0.00 0.00 0.00 0.00 2.42 2.56 0.00 10 K 7.99 3.92 0.00 1.76 1.99 0.00 1.81 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.44 7.81 11 L 7.79 3.94 0.00 1.67 1.62 0.70 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 12 F 8.26 4.23 0.00 3.24 3.16 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 0.00 0.00 0.00 0.00 13 Q 7.72 4.49 0.00 2.17 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.72 0.00 0.00 0.00 0.00 0.00 2.36 2.50 0.00 14 E 7.21 3.85 0.00 1.87 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 2.30 2.24 0.00 15 D 8.43 4.64 0.00 2.67 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.95 4.80 0.00 2.77 2.94 0.00 0.00 6.33 7.00 0.00 0.00 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 G 8.15 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 0.00 0.00 0.00 18 L 8.05 4.20 0.00 1.71 1.56 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 19 P 0.00 4.65 0.00 2.23 2.17 0.00 3.60 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.84 0.00 20 V 8.30 3.82 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 0.95 0.00 0.00 0.93 0.00 0.00 21 H 8.19 4.57 0.00 3.31 3.45 0.00 5.46 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 L 8.13 4.68 0.00 1.50 1.57 0.71 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 23 K 7.88 4.13 0.00 1.94 2.13 0.00 2.03 0.00 0.00 1.95 0.00 0.00 3.07 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.30 1.33 7.81 24 G 9.06 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.50 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 26 A 8.74 4.03 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 T 7.96 3.89 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 1.24 0.00 0.00 28 D 8.18 4.41 0.00 2.98 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 29 N 8.03 4.45 0.00 2.91 2.93 0.00 0.00 7.13 7.27 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 30 I 7.77 3.71 2.03 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.89 0.93 0.00 0.00 31 L 8.18 3.96 0.00 1.90 1.73 0.94 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 32 Y 8.51 4.10 0.00 3.16 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 33 R 8.39 3.63 0.00 1.91 1.94 0.00 3.29 0.00 0.00 3.27 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 2.06 0.00 34 V 8.08 3.52 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 1.01 0.00 0.00 0.93 0.00 0.00 35 T 8.02 3.77 4.28 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 1.18 0.00 0.00 36 M 7.88 3.82 0.00 1.60 1.35 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.52 0.00 37 T 7.93 3.79 4.20 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 1.17 0.00 0.00 38 L 7.99 3.97 0.00 1.78 1.69 0.90 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 39 C 8.29 4.13 0.00 3.05 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 40 L 8.17 4.08 0.00 1.74 1.71 0.91 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 41 G 8.48 3.67 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 0.00 0.00 0.00 42 G 8.30 3.77 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 0.00 0.00 0.00 43 T 8.23 3.94 4.38 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 1.24 0.00 0.00 44 L 8.17 4.03 0.00 1.92 1.80 0.95 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 45 Y 8.42 4.43 0.00 3.04 3.23 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 46 S 8.45 3.96 0.00 4.04 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 47 L 8.25 3.98 0.00 1.94 1.82 0.96 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 48 Y 8.38 4.04 0.00 3.20 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 49 C 8.28 3.95 0.00 2.93 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 50 L 8.11 3.98 0.00 1.85 1.82 0.90 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 51 G 7.93 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 52 W 8.16 4.22 0.00 3.05 3.23 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 53 A 8.55 4.07 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.71 3.98 0.00 3.69 3.25 0.00 0.00 0.00 0.00 0.00 0.00 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 F 6.52 4.74 0.00 2.88 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 56 P 0.00 4.28 0.00 1.96 1.90 0.00 3.71 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.04 0.00 57 H 8.49 4.50 0.00 3.02 3.34 0.00 5.90 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 K 8.04 4.20 0.00 1.87 2.01 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.26 1.32 7.81