NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3934 8.1633 120.3489 55.1084 34.4030 176.3632 2 L 4.2929 7.7260 117.0248 54.5533 41.6256 176.5173 3 T 4.2148 7.8285 109.8582 62.6633 69.9726 176.2691 4 R 3.6639 7.7573 122.8092 59.1938 30.1653 176.6472 5 F 3.3348 7.4720 114.0738 56.6931 38.7621 175.5833 6 L 4.5543 6.9491 122.4302 53.9716 41.7057 176.4223 7 G 4.0843 8.2658 109.2294 42.3226 0.0000 170.4901 8 P 4.2606 0.0000 0.0000 65.7713 31.1915 178.8449 9 R 3.7941 7.9025 116.6090 59.8423 29.8566 177.9839 10 Y 4.3177 7.6497 115.7830 60.9883 37.9076 178.2730 11 R 4.0153 7.9458 119.5772 59.1501 30.2001 178.3804 12 Q 4.1200 8.0352 117.9310 58.3183 28.5673 178.3664 13 L 4.0689 8.2229 119.7237 57.7354 41.5206 178.8078 14 A 4.2718 8.3752 120.9534 55.3426 18.2901 179.7984 15 R 3.9119 7.9836 116.2575 59.7123 30.0530 179.1462 16 N 4.2492 7.9706 114.1040 55.1049 38.7681 176.3423 17 W 4.6149 7.6877 118.0323 56.3276 29.8201 178.0191 18 V 3.5983 7.8258 119.8015 65.6830 31.0565 175.8212 19 P 4.2392 0.0000 0.0000 65.9524 31.1823 178.5903 20 T 3.7339 7.8730 113.4966 66.7629 68.2798 176.3267 21 A 4.0847 8.3532 121.4861 55.1750 18.6280 179.1932 22 Q 4.0898 8.8369 118.3861 59.5734 29.3302 178.6017 23 L 4.2013 8.6284 120.1330 57.5001 41.6482 179.6348 24 W 4.6901 8.6680 119.4067 59.4728 28.9757 178.8158 25 G 3.6709 8.3982 105.9046 47.4066 0.0000 175.4542 26 A 3.9914 8.1315 122.6839 55.2202 18.4348 179.4507 27 V 3.5636 7.8108 116.2927 66.3111 31.4300 178.5803 28 G 3.5583 8.1056 104.9587 47.6559 0.0000 175.4404 29 A 4.0711 8.6240 123.5772 55.0084 18.4637 179.6118 30 V 3.7148 8.0952 116.3764 66.3982 31.3015 178.6782 31 G 3.6790 8.0314 104.3907 47.4530 0.0000 175.3709 32 L 4.1726 8.3609 122.8887 57.9455 42.1529 178.9503 33 V 3.8994 8.3003 118.6469 66.2007 31.3109 177.8200 34 W 4.2453 8.6127 125.7860 59.6726 30.6937 177.1342 35 A 3.2853 7.7464 119.2863 53.0307 18.3666 178.2373 36 T 4.1199 7.4970 105.4053 60.1891 70.7117 173.4559 37 D 4.2151 7.9652 120.0541 54.9743 38.0627 175.2311 38 W 4.4864 8.3688 129.0509 57.8268 31.2482 175.0269 39 R 4.0386 8.9380 125.2625 59.9924 29.4477 177.5876 40 L 3.8553 8.2736 117.4929 59.0695 41.5823 178.6863 41 I 3.7227 7.1041 118.0729 64.3976 37.2728 178.4895 42 L 4.1182 8.8148 120.1077 57.9591 41.3464 179.2727 43 D 4.2570 7.8222 117.2978 56.4782 41.0705 178.0301 44 W 4.2945 7.7158 126.1829 56.4679 31.4858 175.7949 45 V 3.9845 8.0940 119.8001 61.9076 31.4143 173.2996 46 P 4.1488 0.0000 0.0000 66.0391 31.4102 176.4892 47 Y 4.3845 7.6675 117.3081 57.5884 40.0988 174.7796 48 I 3.1259 7.1788 118.7426 62.1752 34.0210 174.1455 49 N 4.8211 7.5537 115.8580 52.9508 38.3611 175.0696 50 G 4.0212 7.6046 101.0260 46.0303 0.0000 173.9819 51 K 4.5002 7.7405 115.8138 60.3657 34.3612 181.4162 52 F 2.7087 8.6187 116.2187 57.7450 41.9758 175.1677 53 K 4.2292 9.4735 123.9960 57.1247 31.8354 176.4027 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 4.39 0.00 2.07 2.11 0.00 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.55 0.00 2 L 7.73 4.29 0.00 1.86 1.74 0.93 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 3 T 7.83 4.21 4.23 0.00 0.00 0.00 0.00 0.00 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 4 R 7.76 3.66 0.00 1.51 1.50 0.00 2.89 0.00 0.00 2.44 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.24 0.00 5 F 7.47 3.33 0.00 2.87 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 L 6.95 4.55 0.00 1.71 1.66 0.94 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 7 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 8 P 0.00 4.26 0.00 2.15 2.13 0.00 3.64 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.17 0.00 9 R 7.90 3.79 0.00 1.70 1.48 0.00 3.03 0.00 0.00 2.98 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 10 Y 7.65 4.32 0.00 3.41 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 11 R 7.95 4.02 0.00 1.92 2.21 0.00 3.12 0.00 0.00 3.20 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 12 Q 8.04 4.12 0.00 2.32 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.59 0.00 0.00 0.00 0.00 0.00 2.37 2.48 0.00 13 L 8.22 4.07 0.00 1.96 1.92 1.07 0.87 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 14 A 8.38 4.27 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 0.00 0.00 15 R 7.98 3.91 0.00 2.13 1.99 0.00 3.15 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 16 N 7.97 4.25 0.00 2.49 2.54 0.00 0.00 7.04 7.69 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 17 W 7.69 4.61 0.00 3.38 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 18 V 7.83 3.60 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 1.02 0.00 0.00 19 P 0.00 4.24 0.00 2.13 2.07 0.00 3.55 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.16 0.00 20 T 7.87 3.73 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 1.13 0.00 0.00 21 A 8.35 4.08 1.40 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 0.00 0.00 0.00 0.00 0.00 22 Q 8.84 4.09 0.00 2.13 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.73 0.00 0.00 0.00 0.00 0.00 2.41 2.44 0.00 23 L 8.63 4.20 0.00 2.02 1.95 0.97 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 24 W 8.67 4.69 0.00 3.46 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 25 G 8.40 3.67 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 0.00 0.00 0.00 26 A 8.13 3.99 1.40 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 0.00 0.00 0.00 0.00 0.00 27 V 7.81 3.56 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 0.68 0.00 0.00 0.88 0.00 0.00 28 G 8.11 3.56 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 0.00 0.00 0.00 29 A 8.62 4.07 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.10 3.71 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 1.07 0.00 0.00 0.99 0.00 0.00 31 G 8.03 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.36 4.17 0.00 1.96 1.90 0.88 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 33 V 8.30 3.90 2.55 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 1.23 0.00 0.00 1.32 0.00 0.00 34 W 8.61 4.25 0.00 3.44 3.50 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.75 3.29 1.15 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 0.00 0.00 0.00 0.00 0.00 36 T 7.50 4.12 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 0.99 0.00 0.00 37 D 7.97 4.22 0.00 2.78 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 W 8.37 4.49 0.00 3.46 3.03 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 39 R 8.94 4.04 0.00 2.03 2.09 0.00 3.31 0.00 0.00 3.34 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 2.03 0.00 40 L 8.27 3.86 0.00 1.53 1.13 0.86 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 41 I 7.10 3.72 1.88 0.00 0.00 0.49 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 -0.15 0.88 0.00 0.00 42 L 8.81 4.12 0.00 1.87 1.80 1.01 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 43 D 7.82 4.26 0.00 2.86 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 44 W 7.72 4.29 0.00 3.58 3.09 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 45 V 8.09 3.98 2.17 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 0.91 0.00 0.00 1.04 0.00 0.00 46 P 0.00 4.15 0.00 2.14 2.13 0.00 3.79 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 2.08 2.15 0.00 47 Y 7.67 4.38 0.00 2.86 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 I 7.18 3.13 1.92 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.74 0.97 0.00 0.00 49 N 7.55 4.82 0.00 2.53 2.63 0.00 0.00 7.07 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 50 G 7.60 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 0.00 0.00 0.00 51 K 7.74 4.50 0.00 1.69 1.76 0.00 1.84 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.34 1.40 7.81 52 F 8.62 2.71 0.00 3.07 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 53 K 9.47 4.23 0.00 1.85 1.83 0.00 1.88 0.00 0.00 1.79 0.00 0.00 3.07 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.63 1.65 7.81