NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9291 8.3393 109.7366 45.2098 0.0000 171.7733 2 E 4.5045 7.5341 119.6827 54.8658 33.2347 175.7897 3 Q 4.0907 8.4409 118.6936 54.9690 27.9557 175.3122 4 V 3.9378 7.4236 119.6577 61.9538 32.3252 175.2646 5 F 4.8967 8.4979 124.2789 55.2947 43.2280 173.8872 6 A 4.5826 8.8584 124.4737 52.0137 19.3121 176.8228 7 V 4.7774 8.4669 122.0630 60.1839 33.4572 175.5925 8 E 4.1703 9.0554 125.3027 57.9126 29.9903 176.5015 9 S 4.4949 7.6359 111.2298 58.3350 67.5318 173.5327 10 I 4.1839 8.1471 120.8741 60.4018 37.3041 176.1760 11 R 3.9545 8.6300 129.0569 58.9054 30.3892 176.1774 12 K 4.8309 7.2731 115.4383 54.9806 37.2981 174.3907 13 K 5.4020 8.6414 120.5459 56.0539 35.3305 174.5861 14 R 4.6398 8.7871 121.4607 55.7798 33.4562 173.2346 15 V 4.7614 8.1818 118.0681 61.3211 34.2107 174.7952 16 R 4.4066 8.4891 127.5834 55.5636 32.7636 175.0205 17 K 3.6234 9.6566 122.8856 57.4165 29.4607 176.9120 18 G 3.9032 8.3726 106.9392 45.3548 0.0000 174.3025 19 K 4.0496 7.6943 120.6779 55.3969 32.5319 176.2480 20 V 4.2362 8.1882 125.0436 62.6107 32.2248 174.2076 21 E 4.6737 8.9123 128.5931 55.0401 31.8988 174.9557 22 Y 5.2674 8.2530 121.1717 56.1065 40.9835 175.0333 23 L 3.8378 8.6471 127.4711 54.3718 42.2083 175.3404 24 V 3.5749 8.3867 126.6816 61.7923 32.3814 175.0508 25 K 4.2505 8.2438 131.7321 55.3805 32.4942 176.1853 26 W 4.7033 8.5849 127.7311 56.5125 29.4970 176.8119 27 K 4.0787 9.1814 124.8643 58.3385 32.2542 178.0357 28 G 3.8939 8.1962 105.9892 44.5167 0.0000 172.6803 29 W 4.8878 7.7436 118.2043 53.5411 32.8478 173.5504 30 P 4.5358 0.0000 0.0000 62.2911 31.3498 175.2447 31 P 4.5901 0.0000 0.0000 63.7891 31.0446 177.1535 32 K 4.1499 7.9458 118.0112 58.4163 33.1881 176.8354 33 Y 4.3066 7.9829 116.1593 57.7726 38.3427 175.6901 34 S 4.9291 8.3272 116.2254 58.3415 63.5915 173.6121 35 T 4.4703 8.6118 115.0417 59.5613 70.9856 174.7747 36 W 4.9122 8.6040 125.7757 56.3733 27.1610 173.8156 37 E 4.6173 8.9587 121.8808 54.1581 30.7802 175.1665 38 P 5.0593 0.0000 0.0000 61.3015 32.4457 176.8253 39 E 4.1568 8.4873 116.2871 59.7699 29.0498 178.5559 40 E 4.3963 8.0057 115.2516 57.1394 29.8489 176.3707 41 H 5.0292 8.3820 115.3554 55.4407 29.4604 173.7037 42 I 4.5118 7.2261 118.9801 59.6336 38.2802 174.2806 43 L 4.1655 7.7396 124.1692 56.5229 42.5479 175.7228 44 D 4.5911 7.9005 118.4160 53.2196 41.9905 175.5576 45 P 4.4889 0.0000 0.0000 64.7844 31.7612 178.2008 46 R 3.7324 8.2212 118.0672 58.0975 29.9935 178.4962 47 L 3.9165 7.8063 119.5658 57.9201 41.7382 179.6402 48 V 3.5277 7.4708 118.3301 64.6145 31.4271 178.1198 49 M 3.9609 7.5362 118.8574 58.3243 31.6592 178.4001 50 A 3.9911 7.8856 119.4500 55.3180 18.6240 178.7538 51 Y 4.2024 7.9201 117.6525 60.9208 39.1327 177.7482 52 E 3.9138 8.1848 117.7008 57.6133 29.5497 178.5950 53 E 4.0179 7.9521 118.8450 58.7577 29.5428 177.8837 54 K 4.2029 7.3785 116.9173 57.2263 33.0842 176.9758 55 E 3.8577 7.1176 119.0725 55.8627 30.0760 176.2977 56 E 4.1993 8.5284 122.0430 56.4564 29.9725 175.7776 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 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 2 E 7.53 4.50 0.00 2.12 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 2.19 2.38 0.00 3 Q 8.44 4.09 0.00 2.07 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.97 0.00 0.00 0.00 0.00 0.00 2.36 2.44 0.00 4 V 7.42 3.94 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 0.76 0.00 0.00 0.98 0.00 0.00 5 F 8.50 4.90 0.00 2.52 2.95 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 0.00 0.00 0.00 6 A 8.86 4.58 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.47 4.78 1.83 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 0.72 0.00 0.00 0.62 0.00 0.00 8 E 9.06 4.17 0.00 2.04 2.21 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 2.28 2.32 0.00 9 S 7.64 4.49 0.00 3.86 3.91 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 10 I 8.15 4.18 1.32 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 0.99 0.48 0.23 0.00 0.00 11 R 8.63 3.95 0.00 1.59 1.68 0.00 3.29 0.00 0.00 3.19 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.65 0.00 12 K 7.27 4.83 0.00 1.59 1.88 0.00 1.92 0.00 0.00 2.01 0.00 0.00 2.85 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.50 1.37 7.81 13 K 8.64 5.40 0.00 1.92 1.96 0.00 2.13 0.00 0.00 2.03 0.00 0.00 2.98 0.00 0.00 3.32 0.00 0.00 0.00 0.00 1.57 1.87 7.81 14 R 8.79 4.64 0.00 1.82 2.00 0.00 2.21 0.00 0.00 2.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.35 0.00 15 V 8.18 4.76 2.07 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 0.73 0.00 0.00 0.94 0.00 0.00 16 R 8.49 4.41 0.00 1.67 1.69 0.00 3.18 0.00 0.00 3.00 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.48 0.00 17 K 9.66 3.62 0.00 1.91 1.86 0.00 1.84 0.00 0.00 1.68 0.00 0.00 2.81 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.30 1.33 7.81 18 G 8.37 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 19 K 7.69 4.05 0.00 1.87 1.70 0.00 1.65 0.00 0.00 1.55 0.00 0.00 2.87 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.63 1.49 7.81 20 V 8.19 4.24 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 1.09 0.00 0.00 0.93 0.00 0.00 21 E 8.91 4.67 0.00 2.02 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 2.22 2.41 0.00 22 Y 8.25 5.27 0.00 2.92 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.65 3.84 0.00 0.27 1.07 -0.43 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 24 V 8.39 3.57 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.54 0.00 0.00 0.91 0.00 0.00 25 K 8.24 4.25 0.00 1.80 1.70 0.00 1.61 0.00 0.00 1.64 0.00 0.00 3.05 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.48 1.44 7.81 26 W 8.58 4.70 0.00 3.45 3.39 0.00 0.00 0.00 0.00 0.00 0.00 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 9.18 4.08 0.00 1.85 2.06 0.00 1.79 0.00 0.00 1.75 0.00 0.00 2.98 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.48 1.43 7.81 28 G 8.20 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 7.74 4.89 0.00 3.28 2.93 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 0.00 0.00 0.00 30 P 0.00 4.54 0.00 2.52 2.14 0.00 3.87 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.22 0.00 31 P 0.00 4.59 0.00 2.17 2.17 0.00 3.83 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.98 0.00 32 K 7.95 4.15 0.00 1.69 1.90 0.00 1.41 0.00 0.00 1.67 0.00 0.00 3.13 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.37 0.89 7.81 33 Y 7.98 4.31 0.00 3.17 2.65 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 0.00 0.00 0.00 0.00 34 S 8.33 4.93 0.00 3.72 3.85 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 35 T 8.61 4.47 4.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 36 W 8.60 4.91 0.00 3.18 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 37 E 8.96 4.62 0.00 2.00 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 2.44 2.61 0.00 38 P 0.00 5.06 0.00 2.10 2.09 0.00 4.00 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.94 0.00 39 E 8.49 4.16 0.00 2.31 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 0.00 2.31 2.36 0.00 40 E 8.01 4.40 0.00 1.83 1.96 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 2.26 2.23 0.00 41 H 8.38 5.03 0.00 3.28 3.45 0.00 5.63 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 I 7.23 4.51 2.10 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.17 0.97 0.00 0.00 43 L 7.74 4.17 0.00 1.70 1.59 0.98 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 44 D 7.90 4.59 0.00 2.70 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 45 P 0.00 4.49 0.00 2.31 2.30 0.00 3.76 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.06 0.00 46 R 8.22 3.73 0.00 2.17 2.00 0.00 3.18 0.00 0.00 3.16 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 47 L 7.81 3.92 0.00 1.53 1.56 0.84 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 48 V 7.47 3.53 1.12 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 0.65 0.00 0.00 0.49 0.00 0.00 49 M 7.54 3.96 0.00 1.89 2.25 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.82 0.00 50 A 7.89 3.99 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 51 Y 7.92 4.20 0.00 3.04 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 52 E 8.18 3.91 0.00 2.03 1.89 0.00 0.00 0.00 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 2.61 0.00 53 E 7.95 4.02 0.00 2.05 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.47 0.00 54 K 7.38 4.20 0.00 1.71 1.78 0.00 1.55 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.39 1.37 7.81 55 E 7.12 3.86 0.00 1.47 1.77 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 2.17 2.19 0.00 56 E 8.53 4.20 0.00 2.08 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 2.18 2.26 0.00