NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 A 4.3464 8.1233 123.5807 51.7506 19.9034 177.5349 5 L 3.8142 8.5538 124.0712 57.4846 41.7129 177.9011 6 L 4.0247 8.6454 119.7169 58.0483 42.0560 179.0921 7 R 3.9017 7.9623 117.4110 59.2543 30.0596 178.6260 8 Q 3.9691 8.6869 117.7518 59.3896 28.7177 179.8059 9 A 3.6699 8.8360 122.5607 55.0524 18.5102 178.7675 10 Y 3.7087 8.2019 117.9346 60.9872 38.6479 178.5912 11 S 4.0939 8.6811 112.5283 60.9524 62.5550 175.1605 12 A 4.4022 7.6033 121.2865 52.7488 19.7468 177.3719 13 L 4.7909 8.1442 116.5113 55.8914 43.5810 179.0522 14 F 4.8434 7.7939 115.6066 60.1092 38.9427 176.6873 15 R 3.4777 7.1423 121.3368 58.7251 30.2753 176.4585 16 R 3.9788 7.6459 124.1557 56.4125 28.9804 177.3061 17 T 3.9006 8.6536 124.1851 66.3923 68.0005 176.0989 18 S 4.5575 8.0132 116.1275 61.1515 63.4375 176.2603 19 T 3.9346 8.3173 113.6655 63.8521 68.7255 176.3503 20 F 4.0738 8.7029 124.5264 60.8418 39.1396 176.3511 21 A 4.0469 7.7670 120.0884 55.5483 18.1105 179.2312 22 L 3.8859 7.7178 115.9834 58.4127 41.8129 180.4044 23 T 3.8152 7.9717 115.3296 66.5285 68.2749 176.8224 24 V 3.4234 7.4690 120.0435 66.6360 31.5327 177.4546 25 V 3.7568 8.1865 118.2622 65.6841 31.0507 177.1540 26 L 4.0038 8.5986 119.7564 58.4753 42.0272 179.9747 27 G 3.5181 8.5063 105.4738 47.6348 0.0000 175.1577 28 A 4.0090 8.8725 125.4029 54.8371 17.9270 179.4939 29 V 3.7966 7.9073 116.4880 66.4690 31.4856 178.2892 30 L 4.0055 7.7697 118.0621 57.8649 41.5628 178.9593 31 F 3.9466 8.8267 120.9473 61.7450 39.1047 176.3403 32 E 4.0231 9.3592 119.7021 59.5899 29.3751 178.5218 33 R 3.8569 7.9403 116.5843 59.6833 30.3464 178.5299 34 A 3.9467 8.0323 119.7105 55.8823 18.4507 178.9162 35 F 3.9326 8.0659 118.8472 60.9894 39.2693 176.5801 36 D 4.2664 8.6454 118.0818 57.7284 40.9064 179.3967 37 Q 4.0335 8.1792 118.1059 59.0693 28.3312 179.4294 38 G 3.4756 8.0105 106.1921 47.6364 0.0000 175.1643 39 A 3.7849 8.0446 123.6761 55.0772 18.2931 179.1881 40 D 4.3411 8.3819 116.8960 57.6114 40.9391 178.9710 41 A 3.9818 7.9936 120.8406 55.4359 18.1843 179.4101 42 I 3.6178 8.6664 117.4769 65.0134 37.6032 178.0067 43 F 4.3823 8.7017 121.5502 60.7831 39.2518 176.6513 44 E 3.7521 9.1171 118.3066 59.8998 29.6035 179.2985 45 H 4.0439 8.3603 117.7692 59.2593 29.8207 176.9310 46 L 4.3178 7.5966 117.6881 56.1882 41.8452 176.8174 47 N 4.9896 8.0140 117.4961 52.1814 39.7860 174.3976 48 E 3.7895 7.8786 117.1138 57.7057 30.1161 178.3802 49 G 3.8954 7.9860 109.0832 46.0650 0.0000 174.1319 50 K 4.4204 7.8297 117.8134 56.2043 33.6647 176.4950 51 L 4.5924 7.5323 118.9913 52.8628 43.2400 177.2525 52 W 3.8289 8.7854 130.7321 59.9235 30.2705 177.9758 53 K 3.9659 7.8966 117.9586 59.2835 31.7510 177.6413 54 H 4.5788 8.4489 116.8183 58.2990 29.5463 177.2723 55 I 3.6592 7.9477 121.0348 65.1414 37.0067 179.2746 56 K 2.8988 7.7485 113.9996 55.9795 33.3296 176.9917 57 H 3.9550 7.8395 118.5030 58.5965 29.5477 176.8157 58 K 4.0382 7.7921 118.3790 58.2918 31.8515 177.0883 59 Y 4.8447 8.0599 112.9166 57.9513 41.0499 175.5667 60 E 4.1940 8.2240 120.0805 55.8128 27.9445 175.3632 61 A 3.6951 8.3544 130.7455 53.4151 15.7348 178.8164 62 S 4.5294 8.3203 114.9544 59.7087 64.8129 173.6430 63 E 4.5459 7.9263 118.5864 55.2974 31.5622 175.6177 64 E 4.1172 8.9002 122.0683 56.8883 29.2536 174.2181 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 A 8.12 4.35 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 5 L 8.55 3.81 0.00 1.77 1.70 0.92 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 6 L 8.65 4.02 0.00 1.68 1.72 0.94 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 7 R 7.96 3.90 0.00 2.00 1.96 0.00 3.15 0.00 0.00 3.33 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.70 0.00 8 Q 8.69 3.97 0.00 2.20 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.83 0.00 0.00 0.00 0.00 0.00 2.38 2.51 0.00 9 A 8.84 3.67 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 Y 8.20 3.71 0.00 3.05 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 11 S 8.68 4.09 0.00 4.01 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 12 A 7.60 4.40 1.27 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 0.00 0.00 0.00 13 L 8.14 4.79 0.00 1.49 1.74 0.83 1.10 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 14 F 7.79 4.84 0.00 2.92 3.21 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 15 R 7.14 3.48 0.00 1.28 1.66 0.00 3.37 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.42 0.00 16 R 7.65 3.98 0.00 1.87 1.85 0.00 3.25 0.00 0.00 3.34 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.65 0.00 17 T 8.65 3.90 4.21 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 1.11 0.00 0.00 18 S 8.01 4.56 0.00 4.06 4.12 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 19 T 8.32 3.93 4.26 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 0.00 0.00 0.00 1.26 0.00 0.00 20 F 8.70 4.07 0.00 3.11 3.23 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 0.00 21 A 7.77 4.05 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 L 7.72 3.89 0.00 1.65 1.78 0.93 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 23 T 7.97 3.82 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 1.22 0.00 0.00 24 V 7.47 3.42 2.16 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 0.94 0.00 0.00 0.82 0.00 0.00 25 V 8.19 3.76 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 0.95 0.00 0.00 1.00 0.00 0.00 26 L 8.60 4.00 0.00 1.95 1.68 0.93 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 27 G 8.51 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.87 4.01 1.37 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 0.00 0.00 0.00 29 V 7.91 3.80 2.37 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 1.05 0.00 0.00 0.99 0.00 0.00 30 L 7.77 4.01 0.00 1.84 1.73 0.95 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 31 F 8.83 3.95 0.00 3.16 3.19 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 32 E 9.36 4.02 0.00 2.18 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 0.00 2.53 2.47 0.00 33 R 7.94 3.86 0.00 2.06 1.97 0.00 3.21 0.00 0.00 3.18 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.85 0.00 34 A 8.03 3.95 1.26 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 0.00 0.00 0.00 0.00 0.00 0.00 35 F 8.07 3.93 0.00 2.28 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 36 D 8.65 4.27 0.00 2.72 2.73 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 0.00 0.00 0.00 37 Q 8.18 4.03 0.00 2.22 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.56 0.00 38 G 8.01 3.48 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 0.00 39 A 8.04 3.78 0.85 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 0.00 0.00 0.00 0.00 0.00 40 D 8.38 4.34 0.00 2.79 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 41 A 7.99 3.98 1.37 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 0.00 0.00 0.00 42 I 8.67 3.62 1.99 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.80 0.93 0.00 0.00 43 F 8.70 4.38 0.00 3.01 3.20 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 44 E 9.12 3.75 0.00 2.15 2.05 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 2.42 2.66 0.00 45 H 8.36 4.04 0.00 3.18 3.32 0.00 5.59 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 L 7.60 4.32 0.00 1.75 1.68 1.02 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 47 N 8.01 4.99 0.00 2.24 2.51 0.00 0.00 6.91 7.13 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 48 E 7.88 3.79 0.00 1.85 1.72 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 2.30 2.19 0.00 49 G 7.99 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 50 K 7.83 4.42 0.00 1.78 1.85 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.38 1.53 7.81 51 L 7.53 4.59 0.00 1.42 1.54 0.81 0.82 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 52 W 8.79 3.83 0.00 3.38 3.08 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 53 K 7.90 3.97 0.00 1.77 1.63 0.00 1.83 0.00 0.00 1.95 0.00 0.00 3.05 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.52 7.81 54 H 8.45 4.58 0.00 3.09 3.24 0.00 5.73 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 I 7.95 3.66 1.67 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.06 0.95 0.00 0.00 56 K 7.75 2.90 0.00 1.55 1.28 0.00 1.58 0.00 0.00 1.61 0.00 0.00 3.00 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.25 1.35 7.81 57 H 7.84 3.96 0.00 3.19 3.38 0.00 5.78 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 K 7.79 4.04 0.00 1.19 1.03 0.00 1.62 0.00 0.00 1.53 0.00 0.00 3.03 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.38 1.29 7.81 59 Y 8.06 4.84 0.00 2.91 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 60 E 8.22 4.19 0.00 1.95 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 2.35 2.44 0.00 61 A 8.35 3.70 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 S 8.32 4.53 0.00 3.93 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 E 7.93 4.55 0.00 1.98 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.25 0.00 64 E 8.90 4.12 0.00 2.16 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 2.20 2.30 0.00