NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 3.8444 8.2133 109.7367 46.1430 0.0000 174.9959 4 I 3.3471 8.5641 128.6782 60.8269 36.3979 172.6624 5 R 4.6028 8.7362 120.8466 54.1999 32.5598 175.6274 6 E 4.3599 8.1391 121.7286 56.1174 31.2284 175.6422 7 K 4.6596 8.4559 120.8238 55.4865 33.6086 176.4358 8 I 4.6292 8.3524 125.2976 59.6588 40.5360 175.3689 9 K 5.4636 8.2176 122.4718 54.9376 34.6585 175.8635 10 L 4.8699 8.6874 126.6844 54.1160 42.6745 176.9514 11 V 4.2491 8.4723 124.9466 62.4338 32.8757 175.5399 12 S 2.9102 8.6244 121.4989 57.7194 62.7723 174.2683 13 S 4.1250 7.8875 120.2365 59.0884 63.5043 173.5688 14 A 4.5331 7.2043 124.5795 50.0839 20.8703 177.6413 15 G 3.7365 8.4307 107.8703 47.5143 0.0000 174.4421 16 T 3.9312 7.5808 112.3952 61.6711 69.0008 175.7780 17 G 3.7789 8.7155 114.6729 48.0489 0.0000 173.5037 18 H 4.2502 7.4671 116.4840 56.3443 30.4976 174.4660 19 F 5.2006 7.0312 118.4452 55.6873 40.5801 171.8105 20 Y 4.8893 8.4751 119.9810 57.2139 42.9341 174.7764 21 T 5.5075 7.8199 113.3561 62.4026 70.5189 172.7162 22 T 4.5369 8.0950 121.5420 62.1654 70.8793 171.5471 23 T 4.8079 8.2913 109.5463 59.6872 71.0671 173.3385 24 K 4.2777 7.4920 122.3229 55.0889 36.1719 173.2966 25 N 4.7950 8.1937 125.6293 52.9551 41.2199 175.0422 26 K 4.0103 8.6003 128.4754 59.7196 32.2446 179.0966 27 R 3.9772 7.9596 118.6034 59.5644 30.1880 178.7753 28 T 4.3085 8.4770 109.2076 63.6621 68.9089 174.7579 29 K 4.3216 7.5821 121.4814 54.7727 34.5669 173.9547 30 P 4.3945 0.0000 0.0000 65.1182 31.6352 177.8302 31 E 4.0989 7.9244 114.7957 55.8729 30.0469 176.6605 32 K 4.2554 8.4592 120.6525 56.7581 33.0483 176.0393 33 L 4.7116 8.4585 121.3942 53.3612 43.6311 175.4724 34 E 4.9839 8.3646 123.4238 54.2619 32.4010 175.6362 35 L 4.2774 8.5292 120.5005 55.0733 42.3631 172.5561 36 K 3.8724 8.6638 121.9881 57.1477 29.8485 174.7762 37 K 4.5197 8.4854 121.9256 53.8981 35.1574 176.7365 38 F 4.1792 8.8388 125.9038 58.7507 39.6166 173.3176 39 D 4.6848 6.0500 120.2815 51.5288 41.6179 174.6775 40 P 4.3717 0.0000 0.0000 64.8781 31.6675 177.7914 41 V 3.8929 7.5546 116.1308 63.5469 32.1107 176.1550 42 V 4.0846 7.3471 116.4678 61.7737 32.5914 175.9510 43 R 3.9241 7.4702 115.0508 57.2643 28.4474 175.4217 44 Q 4.5222 7.2516 116.2487 54.2577 32.1036 174.9351 45 H 4.3596 8.6440 120.8607 56.1332 27.5314 175.7056 46 V 4.0336 7.9288 124.6864 60.8034 33.9709 175.7230 47 I 4.4610 7.9679 122.7772 59.9576 35.9254 174.2816 48 Y 4.0880 8.3429 123.9932 57.8598 39.3876 175.0594 49 K 4.8894 8.3535 121.3875 55.0603 37.1712 171.1669 50 E 4.1695 10.1992 125.9644 56.3602 30.4650 175.1407 51 A 4.8198 8.3247 130.3851 50.8221 19.4446 175.8382 52 K 4.2133 8.3399 125.4315 56.9953 31.5159 177.2029 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 G 8.21 3.84 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 0.00 4 I 8.56 3.35 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.57 0.91 0.00 0.00 5 R 8.74 4.60 0.00 1.75 1.84 0.00 3.16 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 6 E 8.14 4.36 0.00 1.87 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.29 0.00 7 K 8.46 4.66 0.00 1.64 1.74 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.46 7.81 8 I 8.35 4.63 1.91 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.32 0.97 0.00 0.00 9 K 8.22 5.46 0.00 1.73 1.86 0.00 0.98 0.00 0.00 2.25 0.00 0.00 2.88 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.29 1.28 7.81 10 L 8.69 4.87 0.00 1.77 1.87 1.06 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.47 4.25 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 0.92 0.00 0.00 1.03 0.00 0.00 12 S 8.62 2.91 0.00 3.91 3.69 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.89 4.13 0.00 3.92 3.97 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 14 A 7.20 4.53 1.16 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 15 G 8.43 3.74 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 16 T 7.58 3.93 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 1.25 0.00 0.00 17 G 8.72 3.78 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 0.00 0.00 0.00 18 H 7.47 4.25 0.00 3.13 3.29 0.00 5.70 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 19 F 7.03 5.20 0.00 3.23 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 20 Y 8.48 4.89 0.00 3.04 2.81 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 21 T 7.82 5.51 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 1.10 0.00 0.00 22 T 8.09 4.54 4.29 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 1.27 0.00 0.00 23 T 8.29 4.81 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 1.21 0.00 0.00 24 K 7.49 4.28 0.00 1.72 1.69 0.00 1.64 0.00 0.00 1.68 0.00 0.00 2.87 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.19 1.18 7.81 25 N 8.19 4.80 0.00 2.83 2.69 0.00 0.00 7.21 6.56 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 26 K 8.60 4.01 0.00 2.11 1.74 0.00 1.68 0.00 0.00 1.82 0.00 0.00 3.02 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.51 1.60 7.81 27 R 7.96 3.98 0.00 1.95 2.00 0.00 3.27 0.00 0.00 3.28 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 28 T 8.48 4.31 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 1.25 0.00 0.00 29 K 7.58 4.32 0.00 1.72 1.95 0.00 1.73 0.00 0.00 1.71 0.00 0.00 3.26 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.39 1.56 7.81 30 P 0.00 4.39 0.00 2.04 2.11 0.00 3.69 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 2.03 2.07 0.00 31 E 7.92 4.10 0.00 2.08 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 2.29 2.29 0.00 32 K 8.46 4.26 0.00 1.68 1.81 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.38 1.49 7.81 33 L 8.46 4.71 0.00 1.66 1.61 0.96 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 34 E 8.36 4.98 0.00 1.81 1.85 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 2.21 2.35 0.00 35 L 8.53 4.28 0.00 1.66 1.69 0.97 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 36 K 8.66 3.87 0.00 1.93 1.92 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.83 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.46 7.81 37 K 8.49 4.52 0.00 1.00 0.77 0.00 1.68 0.00 0.00 1.61 0.00 0.00 3.04 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.20 0.88 7.81 38 F 8.84 4.18 0.00 2.59 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 39 D 6.05 4.68 0.00 2.88 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 40 P 0.00 4.37 0.00 2.03 2.17 0.00 3.48 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 2.07 0.00 41 V 7.55 3.89 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 0.75 0.00 0.00 0.93 0.00 0.00 42 V 7.35 4.08 2.24 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 0.86 0.00 0.00 0.90 0.00 0.00 43 R 7.47 3.92 0.00 1.98 2.04 0.00 3.18 0.00 0.00 3.17 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.55 0.00 44 Q 7.25 4.52 0.00 2.11 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.45 7.12 0.00 0.00 0.00 0.00 0.00 2.29 2.46 0.00 45 H 8.64 4.36 0.00 3.30 3.35 0.00 5.89 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 V 7.93 4.03 1.97 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 0.63 0.00 0.00 0.80 0.00 0.00 47 I 7.97 4.46 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 1.34 0.47 0.92 0.00 0.00 48 Y 8.34 4.09 0.00 2.83 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 49 K 8.35 4.89 0.00 1.80 1.89 0.00 1.63 0.00 0.00 1.66 0.00 0.00 2.74 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.28 1.21 7.81 50 E 10.20 4.17 0.00 2.20 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 0.00 2.26 2.24 0.00 51 A 8.32 4.82 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.34 4.21 0.00 1.83 2.18 0.00 1.79 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.29 1.37 7.81