NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4306 8.1627 120.6044 55.6458 34.4700 173.1426 2 E 4.6051 8.2474 120.5340 53.8070 32.8824 172.9300 3 A 5.1084 8.9729 124.8186 50.4556 24.0782 174.9800 4 I 4.8168 8.2983 119.4559 59.4848 41.4577 174.7272 5 A 4.2600 8.8110 130.4836 52.1910 18.5540 177.8893 6 K 4.1845 9.3749 122.6807 57.7287 33.5571 176.1416 7 Y 4.8568 8.0542 114.9538 55.9877 42.4311 174.7372 8 D 4.8603 8.9584 120.3324 54.8663 42.0226 176.1838 9 F 4.4733 8.4483 123.7863 56.5586 43.1056 173.0544 10 K 4.5854 7.3945 124.7700 54.0299 34.0070 175.8085 11 A 4.2015 7.7371 127.3226 52.7088 18.5887 177.0415 12 T 4.2880 8.2799 106.1675 61.9252 70.9316 173.8504 13 A 4.5677 7.4777 123.1768 50.6253 22.2218 175.9327 14 D 4.3863 8.7533 118.7996 57.3296 41.2352 176.7989 15 D 4.7202 8.1095 116.1908 53.6435 40.2243 175.1315 16 E 5.6044 7.9734 119.5459 54.7690 32.3446 175.1897 17 L 5.0071 8.4100 121.1208 54.2529 43.8244 176.4078 18 S 4.8341 8.7764 116.9236 58.7057 64.5953 172.3553 19 F 4.9810 8.3127 114.7231 56.8196 41.4690 172.7931 20 K 4.7568 9.3826 116.6930 54.4168 36.6336 175.2199 21 R 4.2228 8.8909 124.9674 60.6172 29.6907 174.4725 22 G 3.4801 8.5163 120.0675 45.5100 0.0000 172.6186 23 D 4.4853 8.1422 121.3134 55.2277 42.1579 176.0842 24 I 4.5502 8.2895 122.7867 60.1025 38.4925 175.1041 25 L 4.8046 8.3125 126.7695 52.8545 45.0131 175.7513 26 K 4.2512 8.3575 123.0188 54.9975 33.5573 175.8021 27 V 3.9341 7.9594 129.6865 63.7479 31.4105 174.6131 28 L 4.0551 8.4543 133.5398 56.3696 41.3248 178.0011 29 N 4.7666 9.3235 114.2160 53.5984 41.5968 174.0209 30 E 4.8825 8.3334 116.3554 56.0991 30.0049 174.6326 31 E 4.3850 8.7205 123.9904 56.7673 30.0566 176.9528 32 C 4.6129 8.4325 113.6264 61.4081 25.8849 173.2032 33 D 4.5679 7.5593 118.5364 53.5515 39.6301 176.3319 34 Q 4.6314 7.9481 118.5227 55.3927 29.1325 174.8698 35 N 4.4084 7.3942 115.7860 54.4163 45.4778 175.0553 36 W 5.3699 7.9257 116.6486 55.2720 33.9747 173.8304 37 Y 5.1481 9.3422 117.6572 56.5598 42.2378 174.3467 38 K 4.9587 8.7498 122.7793 55.0882 34.0576 175.1391 39 A 4.8647 8.7780 128.1595 50.7457 23.8603 173.4765 40 E 5.0884 8.8218 119.9134 54.8188 32.1753 174.8822 41 L 4.5485 9.3700 124.6848 54.5724 46.8758 174.8293 42 N 4.2845 10.1737 120.0323 54.5547 37.4417 174.5149 43 G 3.9864 8.9920 101.9729 44.4933 0.0000 173.0834 44 K 4.9401 8.2153 118.5807 54.3692 37.0574 174.7962 45 D 5.1337 8.2699 119.8383 52.2550 42.2924 174.8824 46 G 3.9043 8.3619 108.3950 45.6128 0.0000 172.1692 47 F 5.4385 8.7083 119.2635 57.4885 40.2525 175.3929 48 I 5.1768 9.2575 114.9572 58.7701 41.4863 172.8397 49 P 3.5681 0.0000 0.0000 61.7285 32.4276 177.4892 50 K 3.9402 8.2881 121.5294 59.6343 32.0007 179.1349 51 N 4.4700 7.8345 113.5749 54.7840 37.5405 174.9491 52 Y 4.2358 7.8173 116.1247 58.5752 38.5972 174.1537 53 I 5.1464 7.6721 118.9555 59.0615 42.1533 173.6248 54 E 4.7522 8.8476 123.5604 54.6461 32.6574 174.7562 55 M 4.6145 8.7072 125.7214 55.2169 33.5493 176.8734 56 K 4.3529 8.6459 120.5038 54.7855 35.5397 174.8978 57 P 4.3587 0.0000 0.0000 62.6176 31.2443 176.7791 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 M 8.16 4.43 0.00 2.02 1.97 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.43 0.00 2 E 8.25 4.61 0.00 2.00 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 2.13 2.27 0.00 3 A 8.97 5.11 1.04 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 0.00 0.00 4 I 8.30 4.82 1.94 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.19 0.88 0.00 0.00 5 A 8.81 4.26 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 6 K 9.37 4.18 0.00 1.97 1.87 0.00 1.66 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.57 1.51 7.81 7 Y 8.05 4.86 0.00 2.60 2.82 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 8 D 8.96 4.86 0.00 2.70 2.67 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 9 F 8.45 4.47 0.00 2.21 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 10 K 7.39 4.59 0.00 1.34 1.49 0.00 1.75 0.00 0.00 1.61 0.00 0.00 2.69 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.16 1.23 7.81 11 A 7.74 4.20 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 12 T 8.28 4.29 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 13 A 7.48 4.57 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.75 4.39 0.00 2.63 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.11 4.72 0.00 3.15 2.98 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 0.00 0.00 0.00 16 E 7.97 5.60 0.00 2.16 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 2.73 2.29 0.00 17 L 8.41 5.01 0.00 1.61 1.66 1.11 1.02 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 18 S 8.78 4.83 0.00 3.85 3.87 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 19 F 8.31 4.98 0.00 3.27 3.17 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.38 4.76 0.00 1.79 1.75 0.00 1.75 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.40 1.43 7.81 21 R 8.89 4.22 0.00 1.95 1.97 0.00 3.38 0.00 0.00 3.20 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.69 0.00 22 G 8.52 3.48 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 D 8.14 4.49 0.00 2.69 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.29 4.55 1.85 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 1.33 0.79 0.88 0.00 0.00 25 L 8.31 4.80 0.00 1.52 1.46 0.65 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 26 K 8.36 4.25 0.00 1.88 1.66 0.00 1.49 0.00 0.00 1.56 0.00 0.00 2.85 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.33 1.38 7.81 27 V 7.96 3.93 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 0.59 0.00 0.00 0.70 0.00 0.00 28 L 8.45 4.06 0.00 1.64 1.35 0.91 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 29 N 9.32 4.77 0.00 2.90 2.67 0.00 0.00 6.50 7.72 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 30 E 8.33 4.88 0.00 2.29 2.15 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 2.18 2.30 0.00 31 E 8.72 4.38 0.00 2.23 2.30 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 2.49 2.40 0.00 32 C 8.43 4.61 0.00 3.17 3.07 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 33 D 7.56 4.57 0.00 2.65 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 34 Q 7.95 4.63 0.00 2.13 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.94 0.00 0.00 0.00 0.00 0.00 2.23 2.33 0.00 35 N 7.39 4.41 0.00 2.73 2.67 0.00 0.00 6.82 7.70 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 36 W 7.93 5.37 0.00 3.25 3.19 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 0.00 0.00 0.00 0.00 37 Y 9.34 5.15 0.00 2.93 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 38 K 8.75 4.96 0.00 1.75 1.76 0.00 1.35 0.00 0.00 1.55 0.00 0.00 2.74 0.00 0.00 2.50 0.00 0.00 0.00 0.00 1.25 1.07 7.81 39 A 8.78 4.86 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 40 E 8.82 5.09 0.00 2.00 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 2.25 2.28 0.00 41 L 9.37 4.55 0.00 1.64 1.57 1.11 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 42 N 10.17 4.28 0.00 2.88 2.89 0.00 0.00 7.40 8.02 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 43 G 8.99 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 44 K 8.22 4.94 0.00 1.83 1.70 0.00 1.64 0.00 0.00 1.73 0.00 0.00 2.95 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.37 7.81 45 D 8.27 5.13 0.00 2.56 2.56 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 46 G 8.36 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 47 F 8.71 5.44 0.00 2.99 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 48 I 9.26 5.18 2.02 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 1.48 1.33 1.30 0.00 0.00 49 P 0.00 3.57 0.00 1.56 0.49 0.00 2.96 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.44 0.00 50 K 8.29 3.94 0.00 1.52 1.74 0.00 1.22 0.00 0.00 1.44 0.00 0.00 2.84 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.33 0.57 7.81 51 N 7.83 4.47 0.00 2.72 2.87 0.00 0.00 6.07 7.62 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 52 Y 7.82 4.24 0.00 3.10 3.34 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 53 I 7.67 5.15 1.77 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.00 0.94 0.00 0.00 54 E 8.85 4.75 0.00 2.06 1.70 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 2.18 2.27 0.00 55 M 8.71 4.61 0.00 1.83 1.93 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.15 0.00 56 K 8.65 4.35 0.00 1.62 1.66 0.00 1.64 0.00 0.00 1.61 0.00 0.00 2.78 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.33 1.38 7.81 57 P 0.00 4.36 0.00 2.02 1.94 0.00 3.68 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.06 0.00