NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 A 4.3039 8.2649 123.5829 51.4453 20.5773 176.8598 4 E 4.1928 7.9095 115.6471 55.1492 30.5021 174.1940 5 I 4.2835 8.0288 119.4824 59.9852 41.9364 173.4458 6 N 4.7075 8.5088 126.2697 51.1157 38.6008 173.0493 7 P 4.1592 0.0000 0.0000 65.2737 31.6135 178.2448 8 L 4.1854 8.1825 117.2974 56.9675 41.8487 177.5205 9 H 4.7131 8.1710 114.0252 57.0095 30.6529 175.7462 10 A 3.5569 7.8245 124.9994 50.3333 16.9926 177.5194 11 Y 4.1053 7.3043 119.9088 58.6506 38.6979 178.0944 12 F 4.3290 5.8529 113.3725 56.6155 38.3380 175.3390 13 K 4.3694 7.2596 122.8818 54.6028 32.4469 175.1743 14 L 4.3759 8.0970 125.3868 52.8803 42.7516 175.6328 15 P 4.3867 0.0000 0.0000 63.0513 31.7359 176.0869 16 N 5.0189 8.6852 117.2603 52.5196 38.0073 173.9811 17 T 4.7429 7.5739 107.2914 60.2148 72.0132 173.1810 18 V 4.4644 8.1198 120.9758 61.2550 34.5885 174.8251 19 S 4.6599 8.5106 121.6288 56.6535 66.0518 173.2415 20 L 4.5414 8.4823 124.9815 53.5498 42.5966 176.4216 21 V 4.5429 8.0085 115.3247 59.8802 35.4230 174.4854 22 A 4.5763 7.9706 122.5117 51.5690 21.7900 175.6548 23 G 3.9387 8.0941 108.0547 45.4192 0.0000 172.3283 24 S 4.5902 8.4719 113.3351 57.1284 66.4172 173.1307 25 S 4.4576 7.9140 112.5622 58.1134 64.5391 175.2655 26 E 4.5764 8.5922 124.4333 55.5532 30.8810 175.5108 27 G 4.1619 7.7982 106.5271 45.1213 0.0000 173.6663 28 E 4.2001 8.7544 119.6221 58.0780 30.1216 177.4566 29 T 4.7673 7.4063 108.1751 58.2883 73.2805 172.7745 30 P 4.2366 0.0000 0.0000 65.7911 31.3722 178.7560 31 L 4.0165 7.8844 118.5604 58.3232 41.9814 178.6306 32 N 4.4933 8.4725 116.2819 56.0245 38.3803 177.3604 33 A 4.1571 8.3135 122.5582 55.0001 18.5030 179.3270 34 F 4.0730 8.5865 119.5549 61.5951 39.5040 176.6817 35 D 4.3731 8.7696 118.1464 57.4696 40.8986 178.5608 36 G 3.6593 8.6760 107.4624 47.1354 0.0000 175.5686 37 A 3.9306 8.0428 123.1839 54.8157 18.2785 179.7395 38 L 3.7274 7.6867 117.4802 57.8273 41.6560 179.6790 39 L 3.9128 7.8811 118.8886 57.9127 41.3490 179.1902 40 N 4.2993 8.2020 115.7788 56.4139 38.9580 176.2978 41 A 4.4315 7.3313 122.2111 52.3190 18.5933 178.2733 42 G 3.8989 8.2638 105.2595 45.5607 0.0000 173.4342 43 I 4.6269 7.7968 118.4239 60.3840 38.4155 176.3222 44 G 3.7941 8.3089 107.6722 46.2915 0.0000 174.7844 45 N 4.9490 7.9883 116.3360 52.9083 39.0701 174.4768 46 V 4.4726 7.4462 109.9332 59.4772 35.4176 174.9946 47 N 4.6844 8.5118 119.0586 52.0623 38.6178 175.1738 48 L 4.1842 8.4559 124.3567 54.1093 42.4268 176.6724 49 I 4.2223 8.0981 124.9930 59.2013 37.3915 175.4265 50 R 4.0173 8.5298 126.9850 56.0232 30.4659 175.6044 51 I 4.4970 8.2279 118.9221 59.1094 39.6628 175.6468 52 S 4.2870 8.4380 116.4954 58.5572 62.9924 173.6966 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 A 8.26 4.30 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 4 E 7.91 4.19 0.00 2.05 1.88 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 2.30 2.36 0.00 5 I 8.03 4.28 1.85 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.51 0.89 0.00 0.00 6 N 8.51 4.71 0.00 2.69 2.65 0.00 0.00 7.20 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 7 P 0.00 4.16 0.00 2.04 2.08 0.00 3.69 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.08 0.00 8 L 8.18 4.19 0.00 1.69 1.72 0.89 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 9 H 8.17 4.71 0.00 3.22 3.32 0.00 5.71 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 A 7.82 3.56 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 11 Y 7.30 4.11 0.00 3.07 3.08 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 12 F 5.85 4.33 0.00 2.94 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 13 K 7.26 4.37 0.00 1.64 1.63 0.00 1.84 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.29 1.36 7.81 14 L 8.10 4.38 0.00 1.66 1.58 0.97 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 15 P 0.00 4.39 0.00 2.03 1.98 0.00 3.61 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.06 0.00 16 N 8.69 5.02 0.00 2.76 2.86 0.00 0.00 5.85 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 17 T 7.57 4.74 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 1.21 0.00 0.00 18 V 8.12 4.46 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 0.86 0.00 0.00 0.93 0.00 0.00 19 S 8.51 4.66 0.00 3.83 3.70 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 20 L 8.48 4.54 0.00 1.62 1.59 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 21 V 8.01 4.54 2.23 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 0.71 0.00 0.00 0.90 0.00 0.00 22 A 7.97 4.58 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 23 G 8.09 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.47 4.59 0.00 3.94 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 25 S 7.91 4.46 0.00 3.79 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 E 8.59 4.58 0.00 1.99 1.88 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 2.26 2.24 0.00 27 G 7.80 4.16 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 0.00 0.00 0.00 28 E 8.75 4.20 0.00 1.98 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 2.32 2.30 0.00 29 T 7.41 4.77 4.25 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 1.22 0.00 0.00 30 P 0.00 4.24 0.00 2.17 2.14 0.00 3.60 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.15 0.00 31 L 7.88 4.02 0.00 1.75 1.69 0.94 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 32 N 8.47 4.49 0.00 2.94 2.87 0.00 0.00 6.91 7.03 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 33 A 8.31 4.16 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.59 4.07 0.00 3.18 3.30 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 0.00 35 D 8.77 4.37 0.00 2.96 2.85 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 0.00 0.00 0.00 36 G 8.68 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 37 A 8.04 3.93 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 38 L 7.69 3.73 0.00 1.68 1.56 0.74 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 39 L 7.88 3.91 0.00 1.84 1.68 0.90 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 40 N 8.20 4.30 0.00 2.76 2.97 0.00 0.00 7.26 8.82 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 41 A 7.33 4.43 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 42 G 8.26 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 43 I 7.80 4.63 1.84 0.00 0.00 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 1.20 0.97 0.90 0.00 0.00 44 G 8.31 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 0.00 0.00 0.00 45 N 7.99 4.95 0.00 2.69 2.80 0.00 0.00 6.73 7.68 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 46 V 7.45 4.47 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 0.74 0.00 0.00 0.98 0.00 0.00 47 N 8.51 4.68 0.00 2.71 2.78 0.00 0.00 6.97 7.85 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 48 L 8.46 4.18 0.00 1.70 1.65 0.96 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 49 I 8.10 4.22 1.87 0.00 0.00 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 1.30 0.55 0.91 0.00 0.00 50 R 8.53 4.02 0.00 1.79 1.85 0.00 3.23 0.00 0.00 3.28 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 51 I 8.23 4.50 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.80 0.96 0.00 0.00 52 S 8.44 4.29 0.00 3.95 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