NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2852 8.2649 123.5816 51.7904 20.7905 177.2943 3 K 3.9745 7.8018 114.1877 55.9304 31.8803 173.5034 4 H 3.8452 8.8936 115.4368 59.7399 29.8446 172.9506 5 P 4.2676 0.0000 0.0000 63.3656 31.6854 176.7887 6 V 4.3674 8.1220 122.7285 59.4040 33.9391 172.4241 7 P 4.3372 0.0000 0.0000 63.1744 31.2901 175.7633 8 K 4.4835 8.3821 118.0257 56.2564 33.2668 175.9234 9 K 4.5008 7.4513 115.4548 55.4133 35.9168 175.8741 10 K 3.9883 8.5167 123.7699 55.8338 31.1019 175.5092 11 T 3.8541 8.5189 118.1332 61.1858 68.1280 173.5685 12 S 4.0474 8.5544 120.9538 58.3421 63.2945 175.9958 13 K 3.6613 8.8864 122.2569 59.7030 31.7414 177.6486 14 A 4.0238 7.3315 121.1372 54.1596 18.2041 178.3593 15 R 3.9982 7.6343 117.7870 57.4643 30.6967 179.1117 16 R 3.9196 8.1536 118.8895 60.2766 29.9934 178.0424 17 D 4.3219 7.7674 116.5088 56.8951 40.7920 178.0322 18 A 4.1167 8.0180 120.4279 55.3667 18.3043 179.2392 19 R 4.0082 7.2324 114.1479 59.1242 31.6563 178.9341 20 R 3.9681 7.3306 117.6818 55.6165 26.3406 174.9829 21 S 4.4368 7.5684 115.1615 60.2963 65.4019 176.6044 22 H 4.7376 7.8789 116.1027 56.1405 28.3335 175.9438 23 H 4.4566 7.9369 115.9570 56.1234 29.5457 176.8888 24 A 4.4240 7.8698 126.5171 51.6242 17.3613 181.9859 25 L 4.8950 8.3290 123.6243 56.3975 44.2808 173.2062 26 T 4.1476 8.2813 118.4658 60.2606 66.8273 172.4246 27 P 4.2044 0.0000 0.0000 61.8250 31.7642 174.5098 28 P 4.1185 0.0000 0.0000 63.6062 30.9479 176.7536 29 T 4.2112 8.3531 114.3506 60.5166 67.4846 173.1544 30 L 4.7688 7.9459 128.2661 53.6230 44.3459 176.4671 31 V 4.5854 8.3970 114.4456 58.5591 36.1292 173.0318 32 P 4.2553 0.0000 0.0000 63.5227 31.9097 175.3784 33 C 4.3939 8.5231 125.5582 58.0999 32.6542 171.3206 34 P 4.8070 0.0000 0.0000 61.6701 29.6824 175.7789 35 E 5.9800 7.5885 135.0000 58.0297 29.7341 177.1296 36 C 4.9432 7.3063 111.2358 56.1436 32.6536 173.2388 37 K 4.3177 8.5939 118.3728 57.6123 32.4795 176.3764 38 A 4.7991 7.7888 120.2275 51.6464 22.3433 176.2745 39 M 4.9565 8.5334 118.6596 53.4757 34.1660 175.5629 40 K 4.8794 8.3733 121.7423 54.0706 37.0546 174.1243 41 P 4.7094 0.0000 0.0000 61.1834 32.2824 173.8148 42 P 4.4252 0.0000 0.0000 65.1102 31.2514 176.6078 43 H 4.4701 9.2861 119.6491 55.9925 26.3811 175.6396 44 T 4.1102 7.5013 116.1037 64.1456 69.7382 174.5088 45 V 4.3919 7.5357 116.6674 62.6582 32.0855 173.0834 46 C 4.4761 7.6215 116.3913 56.7628 31.5640 173.5215 47 P 4.6523 0.0000 0.0000 62.9412 29.9245 176.3060 48 E 4.6774 7.8824 112.5449 56.8621 30.4694 175.3499 49 C 4.3375 8.0706 115.5267 55.0816 28.0098 175.2467 50 G 4.1971 6.9311 110.7969 43.9159 0.0000 174.4913 51 Y 4.8639 8.1706 126.2912 54.8722 41.7659 173.3181 52 Y 4.1943 7.9313 122.2084 58.0323 37.9694 175.4423 53 A 3.7186 8.8801 127.0859 52.7483 16.2433 176.4227 54 G 4.0146 8.5066 108.8258 45.2028 0.0000 174.4039 55 R 3.7567 8.4206 124.6363 56.2828 30.4710 175.3524 56 K 4.6128 8.1802 123.1785 55.0218 35.2495 176.3706 57 V 3.3159 7.6785 120.0382 65.5074 32.2188 176.2329 58 L 4.4549 6.7099 117.7869 53.6059 45.7606 174.7710 59 E 5.1355 7.7603 114.8413 56.4310 30.4804 176.8557 60 V 3.9827 8.3220 123.0976 62.9049 31.9501 174.9636 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 2 A 8.26 4.29 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 3 K 7.80 3.97 0.00 1.80 1.79 0.00 1.65 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.51 7.81 4 H 8.89 3.85 0.00 3.14 3.21 0.00 5.74 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 P 0.00 4.27 0.00 2.05 2.05 0.00 3.72 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.11 0.00 6 V 8.12 4.37 2.09 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 0.69 0.00 0.00 0.93 0.00 0.00 7 P 0.00 4.34 0.00 2.19 2.12 0.00 3.72 0.00 0.00 3.58 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 8 K 8.38 4.48 0.00 1.71 1.82 0.00 1.78 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.32 1.42 7.81 9 K 7.45 4.50 0.00 1.73 1.63 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.34 1.37 7.81 10 K 8.52 3.99 0.00 1.71 1.76 0.00 1.81 0.00 0.00 1.75 0.00 0.00 2.82 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.42 7.81 11 T 8.52 3.85 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 12 S 8.55 4.05 0.00 4.01 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 13 K 8.89 3.66 0.00 1.75 1.95 0.00 1.75 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.45 1.47 7.81 14 A 7.33 4.02 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 15 R 7.63 4.00 0.00 2.00 1.93 0.00 3.09 0.00 0.00 3.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 16 R 8.15 3.92 0.00 2.15 1.99 0.00 3.13 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 17 D 7.77 4.32 0.00 2.79 2.69 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 18 A 8.02 4.12 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 19 R 7.23 4.01 0.00 1.92 2.09 0.00 3.28 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.69 0.00 20 R 7.33 3.97 0.00 1.83 1.72 0.00 3.10 0.00 0.00 3.21 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.61 0.00 21 S 7.57 4.44 0.00 3.84 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 22 H 7.88 4.74 0.00 3.24 3.34 0.00 5.61 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 H 7.94 4.46 0.00 3.04 3.34 0.00 5.86 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 A 7.87 4.42 1.03 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 25 L 8.33 4.89 0.00 1.71 1.63 0.93 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 26 T 8.28 4.15 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 27 P 0.00 4.20 0.00 2.08 2.00 0.00 3.76 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 28 P 0.00 4.12 0.00 2.17 2.11 0.00 3.76 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 2.00 1.98 0.00 29 T 8.35 4.21 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 1.24 0.00 0.00 30 L 7.95 4.77 0.00 1.65 1.75 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 31 V 8.40 4.59 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 0.83 0.00 0.00 1.02 0.00 0.00 32 P 0.00 4.26 0.00 1.94 2.06 0.00 3.69 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.12 0.00 33 C 8.52 4.39 0.00 3.11 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 34 P 0.00 4.81 0.00 2.22 2.09 0.00 4.01 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.99 0.00 35 E 7.59 5.98 0.00 2.12 2.13 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 2.11 2.02 0.00 36 C 7.31 4.94 0.00 3.04 2.84 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 37 K 8.59 4.32 0.00 1.89 1.94 0.00 1.55 0.00 0.00 1.71 0.00 0.00 2.83 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.39 1.44 7.81 38 A 7.79 4.80 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 39 M 8.53 4.96 0.00 1.89 1.99 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.45 0.00 40 K 8.37 4.88 0.00 1.92 1.89 0.00 1.41 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.35 1.40 7.81 41 P 0.00 4.71 0.00 2.23 2.21 0.00 3.72 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.97 0.00 42 P 0.00 4.43 0.00 1.98 2.10 0.00 3.68 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 2.03 2.15 0.00 43 H 9.29 4.47 0.00 3.28 3.60 0.00 5.72 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 T 7.50 4.11 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 1.17 0.00 0.00 45 V 7.54 4.39 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 0.55 0.00 0.00 -0.01 0.00 0.00 46 C 7.62 4.48 0.00 3.11 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 47 P 0.00 4.65 0.00 2.20 2.16 0.00 3.70 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 48 E 7.88 4.68 0.00 1.93 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.22 0.00 49 C 8.07 4.34 0.00 3.17 3.25 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 50 G 6.93 4.20 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 0.00 51 Y 8.17 4.86 0.00 2.69 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 7.93 4.19 0.00 3.00 2.91 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 0.00 0.00 0.00 53 A 8.88 3.72 1.48 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 54 G 8.51 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 55 R 8.42 3.76 0.00 1.75 1.86 0.00 3.23 0.00 0.00 3.27 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.72 0.00 56 K 8.18 4.61 0.00 1.84 1.82 0.00 1.78 0.00 0.00 1.78 0.00 0.00 3.55 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.60 1.53 7.81 57 V 7.68 3.32 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 0.81 0.00 0.00 0.93 0.00 0.00 58 L 6.71 4.45 0.00 1.61 1.54 0.92 0.85 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 59 E 7.76 5.14 0.00 2.06 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 2.03 2.10 0.00 60 V 8.32 3.98 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 0.82 0.00 0.00 0.93 0.00 0.00