NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 R 4.4043 8.1127 119.6570 56.2093 32.4565 173.5892 5 E 4.6167 8.3476 119.7542 53.3477 32.7789 172.9782 6 C 4.2238 9.7057 127.9132 59.6596 32.7377 173.5359 7 D 4.4382 8.5748 124.7003 55.4356 39.3285 175.5729 8 Y 4.5749 7.2661 117.8482 58.9739 41.8316 176.3515 9 C 4.0288 8.2086 114.4330 59.4168 30.6478 175.7509 10 G 3.9041 8.3545 107.9347 44.9329 0.0000 173.1674 11 T 4.2238 7.6471 109.6807 61.5066 70.4751 172.9734 12 D 4.9551 8.4735 121.8260 54.0973 41.7835 176.5188 13 I 4.1341 8.0243 124.9006 60.1037 37.6861 175.7681 14 E 3.9269 8.9953 128.7482 55.5650 29.8954 174.8405 15 P 4.2872 0.0000 0.0000 64.1671 31.8226 175.9421 16 G 3.8064 9.7246 108.3403 46.5484 0.0000 172.9296 17 T 4.4574 7.7930 113.3616 62.9698 72.6962 174.3672 18 G 4.0810 8.8038 109.5872 45.7005 0.0000 172.4578 19 T 4.8002 8.2073 113.8180 61.7812 72.8758 173.6477 20 M 5.0285 8.6159 122.8716 53.7713 34.2900 174.3150 21 F 4.6996 9.2193 129.7822 57.7129 41.1265 174.1420 22 V 4.5155 7.4161 125.5379 61.3054 32.8872 175.2342 23 H 4.2552 9.0635 125.6548 54.6912 29.6268 176.2241 24 K 3.7902 8.7511 122.5450 59.8127 31.8362 177.6646 25 D 4.4054 7.9500 115.5839 54.2318 39.6837 176.7779 26 G 3.9447 8.1510 107.7799 44.8077 0.0000 173.7225 27 A 4.3060 8.7608 122.3769 52.2326 19.8903 176.7446 28 T 5.0507 8.2882 114.8276 62.1172 72.2973 173.9349 29 T 4.6192 8.9074 122.1433 62.0760 72.0785 172.7158 30 H 5.0783 9.2720 125.1375 55.0871 30.0739 174.7853 31 F 5.2255 9.3686 122.8889 56.0441 41.2249 176.6609 32 C 4.3354 9.0973 116.6113 60.2536 30.5863 174.0608 33 S 4.7234 7.6916 113.4561 55.5485 67.0493 174.8461 34 S 4.4995 8.4796 118.3168 60.7782 62.6396 176.1520 35 K 3.7403 8.0252 122.7608 59.7417 31.8427 178.3172 36 C 4.2486 7.6975 116.3450 62.7394 28.1581 175.8648 37 E 2.5400 7.4841 119.8103 59.1807 28.7501 179.3248 38 N 4.2339 8.0900 115.2847 56.2069 38.8097 177.0307 39 N 4.5234 8.1901 117.8219 56.1985 38.5818 177.3321 40 A 4.0941 7.5855 122.2326 55.2644 18.2508 179.3816 41 D 4.2660 7.7117 115.9304 56.6661 40.9186 177.9652 42 L 4.3547 7.4367 117.3777 54.7582 41.9901 177.6175 43 G 3.9843 8.1391 107.9199 45.2398 0.0000 174.2269 44 R 4.2601 7.6459 117.6897 55.7717 31.1073 175.5629 45 E 4.6337 8.3806 118.7366 54.4418 31.9308 177.1320 46 A 3.3881 8.1492 127.0041 55.2508 18.4618 179.5851 47 R 3.8145 7.6271 113.2500 58.7056 30.2656 177.1736 48 N 4.5324 8.3082 113.7276 53.3701 39.3181 174.6928 49 L 4.5131 7.1102 120.0213 52.5840 42.8017 177.2997 50 E 3.9623 8.8456 124.3125 59.0058 29.5731 178.3876 51 W 4.4314 7.8185 113.8958 58.2454 28.9719 176.5592 52 T 3.8170 6.9870 117.9314 63.0571 68.4267 175.1733 53 D 4.3411 8.7747 126.2620 57.9017 41.1832 177.8405 54 T 3.8633 7.8309 114.6213 66.8223 68.6937 175.1919 55 A 4.0111 7.8886 121.9803 55.2538 18.5499 177.5283 56 R 4.0706 8.0334 118.1264 56.7080 30.0330 176.6818 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 4 R 8.11 4.40 0.00 1.78 1.91 0.00 3.03 0.00 0.00 3.26 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 5 E 8.35 4.62 0.00 1.93 1.73 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 2.17 2.64 0.00 6 C 9.71 4.22 0.00 3.09 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 7 D 8.57 4.44 0.00 2.65 2.61 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 8 Y 7.27 4.57 0.00 2.93 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 9 C 8.21 4.03 0.00 3.25 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 10 G 8.35 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 11 T 7.65 4.22 4.30 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 1.32 0.00 0.00 12 D 8.47 4.96 0.00 2.61 2.66 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 13 I 8.02 4.13 1.90 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.59 0.96 0.00 0.00 14 E 9.00 3.93 0.00 1.93 1.91 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 2.32 2.40 0.00 15 P 0.00 4.29 0.00 2.23 2.05 0.00 3.90 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 2.00 1.98 0.00 16 G 9.72 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.79 4.46 4.46 0.00 0.00 0.00 0.00 0.00 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 18 G 8.80 4.08 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 0.00 0.00 0.00 19 T 8.21 4.80 4.37 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 1.30 0.00 0.00 20 M 8.62 5.03 0.00 1.95 1.87 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.34 0.00 21 F 9.22 4.70 0.00 3.33 3.12 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 22 V 7.42 4.52 1.84 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 0.78 0.00 0.00 0.84 0.00 0.00 23 H 9.06 4.26 0.00 3.28 3.21 0.00 5.69 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 K 8.75 3.79 0.00 1.73 1.88 0.00 1.79 0.00 0.00 1.77 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.45 7.81 25 D 7.95 4.41 0.00 2.82 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.15 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 27 A 8.76 4.31 1.19 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 0.00 0.00 28 T 8.29 5.05 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 1.19 0.00 0.00 29 T 8.91 4.62 4.33 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 0.58 0.00 0.00 30 H 9.27 5.08 0.00 3.11 3.26 0.00 5.77 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 F 9.37 5.23 0.00 3.05 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 32 C 9.10 4.34 0.00 3.17 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 33 S 7.69 4.72 0.00 4.02 4.01 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 0.00 0.00 0.00 0.00 34 S 8.48 4.50 0.00 3.98 4.10 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.03 3.74 0.00 1.75 1.84 0.00 1.40 0.00 0.00 1.40 0.00 0.00 2.13 0.00 0.00 2.44 0.00 0.00 0.00 0.00 1.44 1.39 7.81 36 C 7.70 4.25 0.00 3.35 3.14 0.00 0.00 0.00 0.00 0.00 0.00 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 7.48 2.54 0.00 1.71 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 1.47 2.19 0.00 38 N 8.09 4.23 0.00 2.54 2.79 0.00 0.00 7.14 8.04 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 39 N 8.19 4.52 0.00 3.04 3.12 0.00 0.00 6.86 7.16 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 40 A 7.59 4.09 1.19 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 0.00 0.00 41 D 7.71 4.27 0.00 2.71 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 42 L 7.44 4.35 0.00 1.82 1.73 0.94 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 43 G 8.14 3.98 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 0.00 0.00 0.00 44 R 7.65 4.26 0.00 2.15 1.99 0.00 3.27 0.00 0.00 3.36 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.72 0.00 45 E 8.38 4.63 0.00 1.95 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 2.30 2.30 0.00 46 A 8.15 3.39 0.48 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 47 R 7.63 3.81 0.00 1.72 1.91 0.00 3.13 0.00 0.00 3.16 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.54 0.00 48 N 8.31 4.53 0.00 2.69 2.83 0.00 0.00 6.90 7.76 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 49 L 7.11 4.51 0.00 0.94 0.94 1.01 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 50 E 8.85 3.96 0.00 2.02 2.06 0.00 0.00 0.00 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 2.32 0.00 51 W 7.82 4.43 0.00 3.56 3.22 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 52 T 6.99 3.82 4.01 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 0.00 0.00 0.00 0.95 0.00 0.00 53 D 8.77 4.34 0.00 2.87 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 54 T 7.83 3.86 4.01 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 0.00 0.00 0.00 1.07 0.00 0.00 55 A 7.89 4.01 1.25 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 0.00 0.00 56 R 8.03 4.07 0.00 1.89 1.86 0.00 3.22 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.81 0.00