NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5941 8.3044 118.1945 55.4342 31.9919 174.1259 2 E 4.2901 8.6486 124.9501 55.6184 32.5473 173.5286 3 Y 5.0151 8.9627 117.9530 56.0769 42.1547 174.8346 4 V 4.9417 8.4781 114.0114 59.7293 36.7662 173.8263 5 E 5.1498 9.4197 124.4421 54.1054 32.2314 174.9691 6 A 4.5407 8.9061 129.5829 52.4032 18.9026 177.7800 7 L 4.4213 8.9294 122.3894 55.3029 43.1636 176.5464 8 Y 4.9186 7.8166 114.1467 55.6979 41.8316 175.4077 9 Q 4.9915 8.9742 123.2286 55.7545 29.8562 175.0165 10 F 4.6441 8.7862 130.2336 56.8055 40.8843 174.0511 11 D 4.7666 8.3477 127.3781 52.3756 41.5701 174.6857 12 P 3.9375 0.0000 0.0000 62.2727 31.8945 176.2429 13 Q 4.5578 8.6267 120.6209 55.6021 29.5193 174.9764 14 Q 4.5483 7.6912 118.7872 54.3824 32.2637 173.4088 15 D 4.6321 8.5125 123.9047 56.0188 41.4742 176.9718 16 G 4.0288 8.9794 111.7410 45.1701 0.0000 172.7393 17 D 5.1736 7.8177 120.0921 54.2172 41.5571 175.9395 18 L 4.4452 9.0156 126.6759 53.8462 42.3786 176.6038 19 G 3.8059 8.6732 114.1079 46.3052 0.0000 172.0287 20 L 5.0748 8.9501 121.4218 52.7882 46.2107 175.6821 21 K 4.9402 8.9741 122.5590 53.7218 34.9266 174.3954 22 P 4.5131 0.0000 0.0000 64.5059 31.5063 176.8321 23 G 4.0138 9.0492 112.1703 44.9254 0.0000 173.2205 24 D 4.5039 8.0861 121.2661 54.2542 41.8001 175.5391 25 K 4.7709 8.7001 123.7197 55.4977 33.5204 176.2358 26 V 4.4471 8.6756 125.7818 60.5998 34.1517 174.4944 27 Q 3.1107 8.5827 130.1498 56.0422 29.9723 174.7820 28 L 4.4655 8.2713 129.9757 54.2805 41.8146 175.9350 29 L 4.3776 8.9022 128.5105 57.1805 42.5756 177.5552 30 E 4.5744 7.5544 112.9278 55.3612 32.5211 175.7729 31 K 4.2382 8.4881 122.2882 55.5953 31.4471 176.8388 32 L 4.1730 8.6009 125.5420 57.3392 41.8347 177.1349 33 S 4.6438 8.1649 111.1428 56.5834 66.0247 172.8494 34 P 4.2927 0.0000 0.0000 65.4357 31.1320 177.4546 35 E 4.1595 8.2581 115.9331 56.1033 30.7806 175.3559 36 W 4.9887 7.6899 118.9314 55.0116 32.7597 174.2391 37 Y 5.2040 8.3996 122.6432 56.1286 40.7815 174.4345 38 K 4.9298 8.7915 123.0230 54.8649 34.9502 175.3710 39 G 4.7387 9.3461 113.5094 45.6342 0.0000 171.1705 40 S 5.4771 8.8536 113.6819 56.8259 66.5520 173.1353 41 C 4.7447 9.0771 122.5454 58.3906 34.8270 173.6509 42 N 4.0267 9.7744 124.8937 54.5188 35.4710 175.1404 43 G 4.0787 8.2660 105.3124 45.5231 0.0000 173.5982 44 R 4.5450 7.5454 118.7329 55.0877 31.5571 175.4435 45 T 5.0845 7.9304 117.2510 62.0184 71.8830 173.9567 46 G 4.3209 8.3383 111.9145 46.2136 0.0000 171.7458 47 I 5.4530 8.5895 114.0403 59.3094 40.7363 174.8394 48 F 5.0925 8.4885 117.9822 54.5836 41.9481 172.0305 49 P 3.5784 0.0000 0.0000 61.6610 31.9029 177.7411 50 A 3.2274 7.6012 126.1736 54.8814 18.2097 178.9959 51 N 4.4991 7.6044 110.4449 54.4965 37.5198 175.2843 52 Y 4.2571 7.8733 116.8439 59.3690 38.4165 175.2470 53 V 5.1103 7.5891 111.9794 59.2103 35.6512 174.3828 54 K 4.8634 8.6348 119.6377 54.1894 36.2487 173.8766 55 P 4.4776 0.0000 0.0000 63.5101 31.4361 174.7455 56 A 4.7947 8.6154 123.6209 52.3290 20.8755 176.6572 57 F 4.4711 7.3075 113.0976 57.3381 37.5247 173.9909 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 8.30 4.59 0.00 2.15 2.18 0.00 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.53 0.00 2 E 8.65 4.29 0.00 2.13 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 0.00 2.19 2.31 0.00 3 Y 8.96 5.02 0.00 1.43 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 0.00 0.00 0.00 4 V 8.48 4.94 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 1.10 0.00 0.00 5 E 9.42 5.15 0.00 2.00 1.79 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 2.19 2.24 0.00 6 A 8.91 4.54 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 7 L 8.93 4.42 0.00 1.08 0.69 0.89 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 8 Y 7.82 4.92 0.00 2.93 2.89 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 9 Q 8.97 4.99 0.00 2.15 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.82 0.00 0.00 0.00 0.00 0.00 2.47 2.44 0.00 10 F 8.79 4.64 0.00 1.81 2.62 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 0.00 0.00 0.00 0.00 11 D 8.35 4.77 0.00 2.48 2.47 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 12 P 0.00 3.94 0.00 1.96 1.86 0.00 3.50 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.82 0.00 13 Q 8.63 4.56 0.00 2.11 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.65 0.00 0.00 0.00 0.00 0.00 2.26 2.32 0.00 14 Q 7.69 4.55 0.00 2.05 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 7.12 0.00 0.00 0.00 0.00 0.00 2.30 2.36 0.00 15 D 8.51 4.63 0.00 2.70 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.98 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 D 7.82 5.17 0.00 2.73 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 18 L 9.02 4.45 0.00 1.86 1.98 0.97 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 19 G 8.67 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 20 L 8.95 5.07 0.00 1.58 1.50 0.67 0.75 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 K 8.97 4.94 0.00 1.68 1.70 0.00 1.82 0.00 0.00 1.64 0.00 0.00 2.84 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.54 7.81 22 P 0.00 4.51 0.00 2.01 2.12 0.00 3.66 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 23 G 9.05 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 0.00 0.00 0.00 24 D 8.09 4.50 0.00 2.69 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.70 4.77 0.00 1.70 1.89 0.00 1.64 0.00 0.00 1.83 0.00 0.00 3.01 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.55 1.56 7.81 26 V 8.68 4.45 1.93 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 0.82 0.00 0.00 0.68 0.00 0.00 27 Q 8.58 3.11 0.00 1.74 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.64 0.00 0.00 0.00 0.00 0.00 2.05 1.54 0.00 28 L 8.27 4.47 0.00 1.54 1.55 0.66 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 29 L 8.90 4.38 0.00 1.64 1.68 0.93 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 30 E 7.55 4.57 0.00 1.93 1.93 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 2.18 2.26 0.00 31 K 8.49 4.24 0.00 1.64 1.79 0.00 1.62 0.00 0.00 1.44 0.00 0.00 2.62 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.30 0.89 7.81 32 L 8.60 4.17 0.00 1.92 1.76 0.95 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 33 S 8.16 4.64 0.00 4.04 4.02 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 0.00 0.00 0.00 34 P 0.00 4.29 0.00 2.05 2.17 0.00 3.70 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 2.05 2.15 0.00 35 E 8.26 4.16 0.00 2.09 1.76 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 2.16 2.25 0.00 36 W 7.69 4.99 0.00 3.06 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 37 Y 8.40 5.20 0.00 1.46 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 0.00 0.00 0.00 38 K 8.79 4.93 0.00 1.79 1.73 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.36 1.40 7.81 39 G 9.35 4.74 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 0.00 0.00 0.00 40 S 8.85 5.48 0.00 3.97 3.95 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 41 C 9.08 4.74 0.00 2.91 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 42 N 9.77 4.03 0.00 2.90 2.86 0.00 0.00 7.23 7.65 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 43 G 8.27 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 44 R 7.55 4.55 0.00 2.07 1.87 0.00 3.08 0.00 0.00 3.17 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.60 0.00 45 T 7.93 5.08 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 46 G 8.34 4.32 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 0.00 0.00 0.00 47 I 8.59 5.45 2.11 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.05 0.94 0.00 0.00 48 F 8.49 5.09 0.00 2.79 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 49 P 0.00 3.58 0.00 2.11 1.01 0.00 2.38 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.58 0.00 50 A 7.60 3.23 0.09 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 0.00 0.00 51 N 7.60 4.50 0.00 2.61 2.74 0.00 0.00 6.05 7.55 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 52 Y 7.87 4.26 0.00 3.29 3.13 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.59 5.11 2.25 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 0.81 0.00 0.00 1.22 0.00 0.00 54 K 8.63 4.86 0.00 1.80 1.88 0.00 1.32 0.00 0.00 1.62 0.00 0.00 2.84 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.52 1.41 7.81 55 P 0.00 4.48 0.00 2.00 2.07 0.00 3.67 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.15 0.00 56 A 8.62 4.79 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 57 F 7.31 4.47 0.00 3.23 3.05 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 0.00 0.00 0.00