NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 F 4.6566 8.3249 119.4809 57.3501 40.3937 173.8887 2 E 4.5334 8.4440 121.7332 53.4247 32.4157 174.4224 3 N 4.5438 9.5232 121.8711 53.8969 39.6591 174.2617 4 R 4.6236 8.4085 124.1866 56.0045 31.1095 178.3211 5 V 3.6262 8.4334 121.0646 66.2454 31.3277 177.9172 6 A 4.3654 7.9533 121.2078 54.6022 18.1798 179.3576 7 E 3.9280 8.0890 116.7991 59.6133 29.5825 179.7366 8 K 4.1828 8.0659 118.0444 59.4942 32.2485 179.3488 9 Q 4.1320 8.6762 119.0438 58.6271 28.5019 178.6430 10 K 4.0247 8.0793 120.7261 59.3928 32.0516 178.5392 11 L 3.7746 7.7781 120.5771 58.1486 41.8063 178.4096 12 F 4.4445 8.0456 114.2876 58.4531 39.2300 176.5877 13 Q 4.6394 7.4329 116.3126 54.1304 29.5432 175.1304 14 E 3.8956 7.2095 121.0178 56.4678 29.9816 177.5238 15 D 4.6779 8.5374 127.2452 53.7561 38.9348 174.8313 16 N 4.7757 7.9899 115.4256 51.2157 38.4852 176.3047 17 G 3.8960 8.1502 105.8226 46.1365 0.0000 173.7646 18 L 4.2358 7.9736 120.0502 53.1205 42.4779 175.3730 19 P 4.4866 0.0000 0.0000 62.0939 31.8782 177.4188 20 V 3.6452 8.6356 119.9823 65.4244 30.9682 177.5551 21 H 4.5483 8.1682 113.0225 56.6650 28.5673 175.3029 22 L 4.6723 8.0458 119.1037 54.1461 43.2394 177.8788 23 K 4.0721 7.8544 118.7603 58.1856 32.2823 177.9227 24 G 3.6523 8.8428 107.6642 47.5176 0.0000 173.6663 25 G 3.7148 7.3288 105.2999 44.0580 0.0000 173.5171 26 A 4.0537 8.6187 120.7642 55.5906 18.0602 180.2008 27 T 3.9039 7.8967 113.9924 66.7578 68.4742 176.3207 28 D 4.4355 8.0286 120.4902 57.5298 40.8430 178.6266 29 N 4.4535 8.1599 116.3527 56.3616 38.5477 177.3937 30 I 3.7226 7.7147 120.7490 64.3688 37.1853 178.1952 31 L 3.9500 8.2611 121.4909 58.2567 41.8183 178.3650 32 Y 4.0927 8.3616 119.5554 60.9700 38.8149 178.3688 33 R 3.6045 8.1998 118.9431 58.9096 30.0854 179.3696 34 V 3.5196 7.9770 118.3783 66.1301 31.5368 178.1830 35 T 3.7971 7.9881 115.6516 67.0167 68.2862 176.3650 36 M 3.9171 8.0228 120.3124 58.7649 32.0420 178.4408 37 T 3.8111 7.7879 116.0393 66.5449 68.5569 176.7461 38 L 3.9782 7.9560 120.9041 57.8201 41.6191 179.4112 39 C 4.1322 8.1870 116.6490 62.9126 28.1694 176.2465 40 L 4.1186 8.2183 120.8785 57.6583 41.1464 179.8286 41 G 3.7167 8.4961 106.2244 47.8724 0.0000 176.0297 42 G 3.7289 8.3906 108.8224 47.7564 0.0000 175.9823 43 T 4.0071 8.0145 118.0304 66.4066 68.4626 176.9477 44 L 4.0832 8.1561 121.0553 57.9600 41.6019 178.9030 45 Y 4.4474 8.4692 120.0354 60.7948 38.7398 178.2801 46 S 3.9333 8.3090 115.3284 61.2499 63.1191 176.5340 47 L 4.0058 8.1004 122.6920 57.6523 41.3746 178.7371 48 Y 4.1593 8.2603 119.5378 61.0020 38.6907 177.9254 49 C 3.8826 8.0797 117.6998 62.5859 28.1536 175.9173 50 L 4.0240 8.1120 122.1232 58.0713 41.4662 179.2462 51 G 3.7215 7.9465 104.7312 47.4158 0.0000 175.2832 52 W 4.2466 8.0223 130.3702 60.3507 30.6293 178.0829 53 A 3.7494 8.1999 118.9674 54.5320 17.8514 179.3735 54 S 3.9206 7.9642 113.0082 59.4423 63.2013 174.2953 55 F 4.6056 6.9093 120.1503 54.2704 41.0827 173.7203 56 P 4.2617 0.0000 0.0000 63.2397 31.7347 175.8471 57 H 4.7156 8.1774 116.8381 57.3116 29.6785 174.3058 58 K 4.3229 8.0825 124.1902 56.9988 32.0192 174.6380 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 8.32 4.66 0.00 2.94 3.11 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 0.00 0.00 0.00 2 E 8.44 4.53 0.00 2.01 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 0.00 2.22 2.38 0.00 3 N 9.52 4.54 0.00 2.71 2.78 0.00 0.00 6.89 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 4 R 8.41 4.62 0.00 1.89 1.90 0.00 3.54 0.00 0.00 3.28 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.55 0.00 5 V 8.43 3.63 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 1.07 0.00 0.00 0.97 0.00 0.00 6 A 7.95 4.37 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.09 3.93 0.00 2.18 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 2.34 2.37 0.00 8 K 8.07 4.18 0.00 2.02 2.08 0.00 1.98 0.00 0.00 1.91 0.00 0.00 3.02 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.62 1.60 7.81 9 Q 8.68 4.13 0.00 2.25 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.81 0.00 0.00 0.00 0.00 0.00 2.42 2.57 0.00 10 K 8.08 4.02 0.00 1.98 1.94 0.00 1.64 0.00 0.00 1.56 0.00 0.00 2.87 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.44 7.81 11 L 7.78 3.77 0.00 1.65 1.58 0.65 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 12 F 8.05 4.44 0.00 3.20 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 13 Q 7.43 4.64 0.00 2.07 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.51 0.00 14 E 7.21 3.90 0.00 2.04 1.89 0.00 0.00 0.00 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 2.22 0.00 15 D 8.54 4.68 0.00 2.67 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 7.99 4.78 0.00 2.78 2.82 0.00 0.00 6.34 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 8.15 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 7.97 4.24 0.00 1.76 1.57 0.88 0.91 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 19 P 0.00 4.49 0.00 2.19 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 1.78 1.83 0.00 20 V 8.64 3.65 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 0.85 0.00 0.00 0.91 0.00 0.00 21 H 8.17 4.55 0.00 3.29 3.45 0.00 5.47 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 22 L 8.05 4.67 0.00 1.51 1.58 0.71 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 23 K 7.85 4.07 0.00 2.02 2.15 0.00 2.07 0.00 0.00 1.93 0.00 0.00 2.90 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.38 1.34 7.81 24 G 8.84 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 G 7.33 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.62 4.05 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 3.90 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 1.24 0.00 0.00 28 D 8.03 4.44 0.00 2.97 2.97 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 29 N 8.16 4.45 0.00 2.97 2.94 0.00 0.00 7.12 7.40 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 30 I 7.71 3.72 2.05 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 1.43 0.82 0.93 0.00 0.00 31 L 8.26 3.95 0.00 1.93 1.87 0.94 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 32 Y 8.36 4.09 0.00 3.19 3.27 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 33 R 8.20 3.60 0.00 2.02 1.92 0.00 3.28 0.00 0.00 3.25 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.92 0.00 34 V 7.98 3.52 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 1.01 0.00 0.00 0.94 0.00 0.00 35 T 7.99 3.80 4.31 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 1.20 0.00 0.00 36 M 8.02 3.92 0.00 1.66 1.51 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.47 0.00 37 T 7.79 3.81 4.34 0.00 0.00 0.00 0.00 0.00 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 38 L 7.96 3.98 0.00 1.83 1.70 0.90 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 39 C 8.19 4.13 0.00 3.10 2.97 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 40 L 8.22 4.12 0.00 1.66 1.71 0.91 1.19 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 41 G 8.50 3.72 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 0.00 0.00 0.00 0.00 0.00 0.00 42 G 8.39 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 43 T 8.01 4.01 4.41 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 1.24 0.00 0.00 44 L 8.16 4.08 0.00 1.93 1.79 0.94 0.60 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 45 Y 8.47 4.45 0.00 3.06 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 46 S 8.31 3.93 0.00 4.06 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 47 L 8.10 4.01 0.00 2.01 1.82 0.96 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 48 Y 8.26 4.16 0.00 3.19 3.28 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 49 C 8.08 3.88 0.00 2.98 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 50 L 8.11 4.02 0.00 1.78 1.86 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 51 G 7.95 3.72 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 0.00 0.00 0.00 0.00 0.00 0.00 52 W 8.02 4.25 0.00 3.03 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 53 A 8.20 3.75 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 54 S 7.96 3.92 0.00 3.91 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 55 F 6.91 4.61 0.00 2.83 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 56 P 0.00 4.26 0.00 2.10 1.95 0.00 3.76 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 57 H 8.18 4.72 0.00 3.02 3.29 0.00 5.97 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 K 8.08 4.32 0.00 1.82 1.89 0.00 1.78 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.36 1.36 7.81