NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9716 8.3431 109.7359 44.4331 0.0000 174.1071 2 G 3.6096 8.4977 106.0040 43.8084 0.0000 172.8765 3 S 4.0673 7.7839 115.1235 57.1748 63.2632 169.7073 4 V 3.5411 8.0958 118.0313 64.9841 30.9688 177.7690 5 E 3.7671 8.0326 118.7682 59.2777 29.0362 178.6778 6 D 4.2685 7.9900 117.8760 57.3089 41.2213 178.3964 7 I 3.5467 7.1980 119.7486 64.1220 36.9443 178.5916 8 K 3.2593 7.8272 119.1632 59.0971 31.6661 179.3231 9 A 3.9449 7.9571 121.1258 54.9473 18.2467 179.8902 10 K 3.9791 8.2278 117.0954 59.9884 32.1587 179.5098 11 M 4.3070 8.2435 118.9864 58.6730 31.9075 178.9120 12 Q 4.2356 8.5702 118.1300 58.8154 28.8165 178.6325 13 A 4.0248 8.3214 122.1439 55.3640 18.2669 179.6824 14 S 4.0866 8.1252 110.3548 61.5167 62.6492 176.1333 15 I 3.8798 8.0464 122.7512 64.5002 36.6637 178.3283 16 E 4.1180 8.6140 118.7456 58.6961 29.2952 178.4305 17 K 4.5482 7.8747 116.6828 55.6354 33.6212 177.8186 18 G 4.2383 8.4547 109.5462 46.0289 0.0000 172.9527 19 G 4.1536 7.2713 109.2829 45.9861 0.0000 169.5451 20 S 4.5840 8.0199 110.1499 57.4917 64.9898 174.4177 21 L 4.6867 8.2927 122.1021 51.9977 43.7695 174.8542 22 P 4.3807 0.0000 0.0000 63.0770 31.6486 176.6553 23 K 4.3243 8.7144 121.1124 58.1111 33.5360 177.5475 24 V 4.0494 7.6764 120.6849 61.9011 33.1671 175.5616 25 E 2.0000 8.4774 126.3033 58.8567 29.4548 178.9100 26 A 3.9192 7.6335 120.1895 54.9460 18.4982 179.3804 27 K 3.9855 7.9319 117.7896 59.2992 32.3193 178.8535 28 F 4.5267 8.8670 121.4929 61.4949 39.3413 177.2011 29 I 3.5356 8.1384 119.9231 64.3459 36.8116 177.9948 30 N 4.2889 8.2886 118.1462 56.5274 38.7493 176.6393 31 Y 4.1370 8.1270 119.2672 60.2390 38.2517 178.3754 32 V 3.1661 6.8855 121.1828 64.9726 31.5347 177.9123 33 K 4.1092 7.9922 121.1112 58.9891 31.8153 178.2954 34 N 4.3442 8.0935 116.4383 56.3783 38.9602 176.2263 35 C 4.1142 8.3615 119.8574 61.3265 32.1109 174.1272 36 F 4.5873 8.3357 117.0761 56.4535 39.0242 175.8736 37 R 4.4605 8.0479 117.5174 56.6756 28.3911 177.6006 38 M 4.4027 7.3887 116.0821 55.3357 29.1820 176.5420 39 T 4.3774 7.6327 111.2387 61.7942 68.5217 174.0387 40 D 4.6308 7.7170 120.5836 54.0020 42.6760 176.6334 41 Q 4.1755 8.7780 125.9399 59.1765 28.7174 179.0448 42 E 3.9539 8.1262 118.8762 59.4036 29.6893 179.0326 43 A 4.0065 7.9299 120.3288 55.1490 18.5135 179.6071 44 I 3.7634 8.3978 118.7600 64.4960 37.1553 178.4421 45 Q 4.1531 8.4649 120.6772 59.4002 28.8787 178.1151 46 D 4.4319 8.3908 119.9591 57.4631 40.9154 178.7907 47 L 4.2669 8.7145 119.9127 57.5637 41.5743 179.4619 48 W 4.2461 9.1729 128.8875 60.6561 30.8040 178.1198 49 Q 3.7101 8.6719 118.4997 58.5417 28.0313 178.7987 50 W 4.0963 8.3817 129.5910 60.4647 30.5841 178.0805 51 R 3.4708 7.6058 117.4618 59.1782 29.4167 178.3805 52 K 3.5566 7.2222 117.5748 58.4121 32.0165 178.3620 53 S 4.2894 7.0804 110.6888 58.6412 62.7401 174.0682 54 L 3.7380 7.3317 127.5515 55.5676 41.8532 175.8723 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 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.50 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.78 4.07 0.00 4.01 3.84 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 4 V 8.10 3.54 2.01 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 0.77 0.00 0.00 0.81 0.00 0.00 5 E 8.03 3.77 0.00 1.96 1.97 0.00 0.00 0.00 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 2.31 0.00 6 D 7.99 4.27 0.00 2.88 2.76 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 7 I 7.20 3.55 1.59 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.45 -0.75 0.00 0.00 8 K 7.83 3.26 0.00 1.50 1.04 0.00 1.19 0.00 0.00 0.72 0.00 0.00 2.69 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.30 1.02 7.81 9 A 7.96 3.94 1.34 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 0.00 0.00 10 K 8.23 3.98 0.00 2.18 2.09 0.00 1.80 0.00 0.00 1.78 0.00 0.00 3.00 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.53 1.68 7.81 11 M 8.24 4.31 0.00 2.46 2.26 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 3.07 0.00 12 Q 8.57 4.24 0.00 2.41 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.94 0.00 0.00 0.00 0.00 0.00 3.03 2.86 0.00 13 A 8.32 4.02 1.45 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 0.00 0.00 14 S 8.13 4.09 0.00 3.97 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 15 I 8.05 3.88 2.13 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.64 0.94 0.00 0.00 16 E 8.61 4.12 0.00 2.17 2.05 0.00 0.00 0.00 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 2.40 0.00 17 K 7.87 4.55 0.00 1.82 1.84 0.00 1.70 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.54 1.61 7.81 18 G 8.45 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 0.00 0.00 0.00 0.00 19 G 7.27 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 20 S 8.02 4.58 0.00 3.93 3.79 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.29 4.69 0.00 1.71 1.87 1.12 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 0.00 0.00 0.00 0.00 0.00 0.00 22 P 0.00 4.38 0.00 2.34 2.14 0.00 3.86 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.10 0.00 23 K 8.71 4.32 0.00 1.92 1.99 0.00 1.54 0.00 0.00 1.68 0.00 0.00 3.13 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.56 7.81 24 V 7.68 4.05 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 1.10 0.00 0.00 0.98 0.00 0.00 25 E 8.48 2.00 0.00 1.28 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.47 0.00 26 A 7.63 3.92 1.26 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 27 K 7.93 3.99 0.00 1.88 1.91 0.00 1.75 0.00 0.00 1.78 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.58 1.55 7.81 28 F 8.87 4.53 0.00 3.55 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 29 I 8.14 3.54 1.91 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.60 0.85 0.00 0.00 30 N 8.29 4.29 0.00 2.92 2.96 0.00 0.00 6.98 7.08 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 31 Y 8.13 4.14 0.00 3.22 3.44 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 32 V 6.89 3.17 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 0.62 0.00 0.00 -1.18 0.00 0.00 33 K 7.99 4.11 0.00 1.84 1.80 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.39 7.81 34 N 8.09 4.34 0.00 2.92 2.90 0.00 0.00 7.21 7.15 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 35 C 8.36 4.11 0.00 3.10 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.34 4.59 0.00 3.08 2.97 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.05 4.46 0.00 1.92 1.98 0.00 3.05 0.00 0.00 3.88 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00 38 M 7.39 4.40 0.00 2.15 2.05 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.80 0.00 39 T 7.63 4.38 4.23 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 1.26 0.00 0.00 40 D 7.72 4.63 0.00 2.82 2.52 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 0.00 0.00 0.00 41 Q 8.78 4.18 0.00 2.19 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.70 0.00 0.00 0.00 0.00 0.00 2.47 2.54 0.00 42 E 8.13 3.95 0.00 2.02 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 2.41 2.38 0.00 43 A 7.93 4.01 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.40 3.76 2.05 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 1.41 0.67 0.97 0.00 0.00 45 Q 8.46 4.15 0.00 2.47 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.93 0.00 0.00 0.00 0.00 0.00 2.42 2.55 0.00 46 D 8.39 4.43 0.00 2.92 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 8.71 4.27 0.00 1.99 2.28 0.89 0.78 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 48 W 9.17 4.25 0.00 3.54 3.32 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 0.00 0.00 0.00 0.00 49 Q 8.67 3.71 0.00 2.39 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.57 0.00 0.00 0.00 0.00 0.00 2.32 2.53 0.00 50 W 8.38 4.10 0.00 3.48 3.50 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.61 3.47 0.00 1.09 1.20 0.00 3.86 0.00 0.00 2.95 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.51 0.00 52 K 7.22 3.56 0.00 1.39 1.43 0.00 1.40 0.00 0.00 1.21 0.00 0.00 2.65 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.31 0.21 7.81 53 S 7.08 4.29 0.00 3.73 3.69 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 54 L 7.33 3.74 0.00 0.47 1.08 0.30 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00