NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 F 4.7253 8.3093 122.8303 57.9482 41.2980 173.3207 2 E 3.6575 9.0824 119.5389 55.2746 28.5828 175.2834 3 N 4.4231 5.8967 113.7615 54.5062 39.2139 175.2192 4 R 4.6840 7.8776 109.6756 56.0129 31.0685 177.7481 5 V 3.6256 7.7971 121.3428 66.1239 31.7906 176.5082 6 A 4.2330 8.1367 121.1639 55.0513 18.1085 179.3022 7 E 3.9092 8.1321 116.2416 59.6161 29.5744 179.5594 8 K 4.0999 7.8340 118.4706 59.7180 32.0685 179.0513 9 Q 4.1137 8.8084 118.6594 58.8408 28.7918 178.7277 10 K 3.8524 8.1062 118.9802 59.7192 32.0372 178.8083 11 L 3.7815 7.5244 118.5969 58.3670 42.1534 178.9047 12 F 4.2522 8.2086 115.3519 59.3936 39.0347 176.8822 13 Q 4.4504 8.2515 116.8874 55.3563 29.0082 175.4219 14 E 3.8377 7.3310 121.2983 56.4950 30.2585 177.6018 15 D 4.6837 8.5115 128.9154 54.1808 39.1310 175.1971 16 N 4.6089 7.9127 114.4819 52.2586 38.1343 177.2095 17 G 3.9037 8.0837 105.6447 46.1191 0.0000 174.2798 18 L 4.2780 8.0372 119.7357 53.4482 42.6489 174.8188 19 P 4.6609 0.0000 0.0000 61.5318 33.0051 177.3042 20 V 3.6675 8.6087 120.3314 65.5399 31.0075 177.3838 21 H 4.6770 8.2119 111.9790 56.1064 28.8023 175.3698 22 L 4.6700 8.3102 119.4562 54.6408 43.8499 178.5484 23 K 3.8780 7.7286 116.4506 59.3204 32.0938 178.3132 24 G 3.7261 8.1373 106.2765 46.7350 0.0000 174.3639 25 G 3.6249 7.0193 106.2319 45.0337 0.0000 173.2918 26 A 4.2430 8.4477 121.3274 55.2918 18.6559 180.1402 27 T 3.8890 7.9000 107.8761 65.0114 68.7425 176.0850 28 D 4.4817 7.6337 119.5970 57.3650 40.8327 178.4587 29 N 4.4854 8.0382 117.1678 56.4608 39.1534 176.8656 30 I 3.7210 7.7371 114.6130 64.0576 37.6025 178.0261 31 L 3.9738 8.4885 121.4818 57.5471 41.4124 178.7405 32 Y 4.2483 8.2351 119.2024 61.1591 38.9078 178.5587 33 R 3.5294 8.5194 119.1145 58.8957 30.0907 179.4242 34 V 3.5000 8.1540 118.4868 66.2525 31.6549 177.9843 35 T 3.8578 8.1694 115.8291 67.2334 68.5178 176.4233 36 M 4.0037 8.0765 120.4693 58.5315 31.7465 179.1290 37 T 3.8143 7.6008 115.5464 66.6484 68.7676 176.7023 38 L 3.9791 7.9108 120.7543 58.0688 41.5793 179.4216 39 C 4.0765 8.1309 116.3597 62.8631 28.0529 176.1497 40 L 4.0752 7.8050 119.9376 57.7563 41.2861 179.7163 41 G 3.7676 8.4558 106.0176 47.9314 0.0000 175.5074 42 G 3.9297 8.5295 109.2944 47.9385 0.0000 175.6257 43 T 3.9188 8.2417 118.4174 66.3122 68.4172 176.6988 44 L 4.0442 8.1888 121.0776 57.9161 41.5875 178.8283 45 Y 4.5577 8.7006 120.0098 61.0440 38.7637 178.4555 46 S 3.9421 8.4635 115.3484 61.3526 62.9907 176.4077 47 L 4.0281 8.1709 122.7272 57.7360 41.3069 178.7870 48 Y 4.2177 8.5718 119.8705 60.9177 38.6974 177.8607 49 C 4.1458 8.4028 117.8867 62.8529 28.1756 175.9247 50 L 4.2156 8.3077 119.4961 56.6791 41.4108 178.8711 51 G 3.9266 7.5598 104.3541 46.2594 0.0000 175.8507 52 W 3.9271 8.2023 131.3262 59.7074 30.7940 176.8139 53 A 3.6155 8.2775 119.1823 51.9858 18.0717 177.6058 54 S 4.1202 7.9395 111.9285 59.0785 62.8638 174.0175 55 F 4.6529 6.9638 117.5371 54.5863 41.2337 173.8143 56 P 4.3352 0.0000 0.0000 63.2177 31.0857 176.4684 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 F 8.31 4.73 0.00 2.92 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 2 E 9.08 3.66 0.00 2.18 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.60 0.00 3 N 5.90 4.42 0.00 2.93 3.12 0.00 0.00 7.23 6.94 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 4 R 7.88 4.68 0.00 2.17 2.16 0.00 3.02 0.00 0.00 3.51 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.68 0.00 5 V 7.80 3.63 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 0.90 0.00 0.00 0.96 0.00 0.00 6 A 8.14 4.23 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.13 3.91 0.00 2.23 2.02 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 2.40 2.41 0.00 8 K 7.83 4.10 0.00 1.96 2.12 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.81 1.72 7.81 9 Q 8.81 4.11 0.00 2.26 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.67 0.00 0.00 0.00 0.00 0.00 2.43 2.66 0.00 10 K 8.11 3.85 0.00 1.96 1.88 0.00 1.69 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.63 7.81 11 L 7.52 3.78 0.00 1.65 1.65 0.67 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 12 F 8.21 4.25 0.00 3.12 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 13 Q 8.25 4.45 0.00 2.11 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.42 0.00 14 E 7.33 3.84 0.00 2.02 1.99 0.00 0.00 0.00 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 2.23 0.00 15 D 8.51 4.68 0.00 2.66 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 N 7.91 4.61 0.00 2.82 3.02 0.00 0.00 6.35 7.00 0.00 0.00 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 G 8.08 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 18 L 8.04 4.28 0.00 1.86 1.57 0.88 0.84 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 P 0.00 4.66 0.00 2.25 2.16 0.00 3.64 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 1.76 1.83 0.00 20 V 8.61 3.67 2.10 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 0.84 0.00 0.00 0.91 0.00 0.00 21 H 8.21 4.68 0.00 3.26 3.40 0.00 5.47 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 L 8.31 4.67 0.00 1.57 1.57 0.65 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 23 K 7.73 3.88 0.00 2.23 2.14 0.00 1.81 0.00 0.00 1.80 0.00 0.00 3.12 0.00 0.00 3.33 0.00 0.00 0.00 0.00 1.52 1.67 7.81 24 G 8.14 3.73 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 0.00 0.00 0.00 25 G 7.02 3.62 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 0.00 0.00 0.00 26 A 8.45 4.24 1.33 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 0.00 0.00 0.00 27 T 7.90 3.89 4.28 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 1.23 0.00 0.00 28 D 7.63 4.48 0.00 2.99 2.96 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 0.00 0.00 0.00 29 N 8.04 4.49 0.00 2.88 2.98 0.00 0.00 6.95 8.08 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 30 I 7.74 3.72 1.89 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 1.54 0.93 0.97 0.00 0.00 31 L 8.49 3.97 0.00 2.01 1.85 0.96 0.76 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 32 Y 8.24 4.25 0.00 3.16 3.26 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 33 R 8.52 3.53 0.00 1.91 1.89 0.00 3.24 0.00 0.00 3.11 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.99 0.00 34 V 8.15 3.50 2.23 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 1.02 0.00 0.00 0.96 0.00 0.00 35 T 8.17 3.86 4.45 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 1.23 0.00 0.00 36 M 8.08 4.00 0.00 1.77 1.75 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.50 0.00 37 T 7.60 3.81 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 38 L 7.91 3.98 0.00 1.69 1.73 0.94 0.74 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 39 C 8.13 4.08 0.00 3.13 2.99 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.81 4.08 0.00 1.84 1.72 0.90 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 41 G 8.46 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.53 3.93 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 0.00 0.00 0.00 43 T 8.24 3.92 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 44 L 8.19 4.04 0.00 1.92 1.79 0.94 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 45 Y 8.70 4.56 0.00 2.97 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 46 S 8.46 3.94 0.00 4.03 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 47 L 8.17 4.03 0.00 2.08 1.85 0.95 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 48 Y 8.57 4.22 0.00 3.21 3.40 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 49 C 8.40 4.15 0.00 3.03 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 50 L 8.31 4.22 0.00 1.57 1.73 0.91 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 51 G 7.56 3.93 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 0.00 0.00 0.00 52 W 8.20 3.93 0.00 2.91 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 53 A 8.28 3.62 1.23 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 0.00 0.00 54 S 7.94 4.12 0.00 3.84 3.49 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 55 F 6.96 4.65 0.00 2.72 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 56 P 0.00 4.34 0.00 2.03 1.96 0.00 3.80 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 2.03 2.05 0.00