NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 T 4.3256 8.0333 115.2446 61.6879 69.0632 175.5307 12 D 4.1839 8.0811 122.4287 56.2208 40.5114 176.8024 13 A 4.0964 8.8089 122.7001 55.3862 18.8842 179.2473 14 T 3.8824 8.1280 114.5713 66.7634 68.4819 177.0216 15 I 3.7286 7.5770 121.1801 64.2367 37.2022 178.1698 16 K 3.8775 8.5655 119.5988 59.7703 32.0169 179.4040 17 K 4.0064 8.4821 118.7630 59.6865 31.8907 179.3325 18 E 3.9625 8.1964 118.6814 59.4042 29.3760 179.3045 19 Q 3.9676 8.5800 118.5865 58.7379 28.7264 178.9746 20 K 3.8881 8.2895 119.7315 59.4134 32.1240 178.9637 21 L 3.7956 7.6693 120.3902 58.1955 41.7858 179.2023 22 I 3.8025 7.7566 119.6528 64.4282 36.9893 178.2676 23 Q 3.9404 8.6418 118.9872 58.9534 28.5462 178.9777 24 A 3.9343 8.3344 121.8771 55.2677 18.3705 179.5572 25 Q 3.9177 8.0884 116.4952 59.2461 28.7783 179.0188 26 N 4.3120 8.2713 117.3237 56.5173 38.6375 177.6099 27 L 4.0968 8.2011 120.5137 57.5683 41.6255 179.8541 28 V 3.6976 8.2773 118.9330 65.9479 31.4384 178.0843 29 R 4.2079 8.2410 120.1015 58.8720 29.8566 177.9730 30 E 3.9630 8.6613 119.6093 59.2201 29.5125 178.5779 31 F 4.4649 8.3813 120.5968 61.6557 39.2786 176.9801 32 E 3.7442 8.3878 117.8912 58.8873 28.8801 179.6541 33 K 4.0157 7.5809 117.9032 59.3086 32.5372 178.7438 34 T 4.1902 8.0795 108.0326 61.7965 69.7382 174.3535 35 H 3.8687 8.6295 118.2852 56.9905 27.1317 174.3354 36 T 5.0601 7.7915 107.9026 60.0194 72.4338 174.3068 37 V 3.6409 8.2394 121.3092 66.1341 31.5602 178.1333 38 S 4.0327 8.1270 112.1897 61.5727 62.3036 176.0009 39 A 4.0277 8.1039 123.2912 55.0090 18.0772 179.1262 40 H 2.5800 7.9535 116.8932 58.9913 29.9561 177.5082 41 R 3.6607 7.7800 119.7655 59.2852 29.8516 179.2734 42 K 3.8880 7.7400 117.2670 59.1996 31.9459 179.2733 43 A 3.8776 7.7691 120.9463 55.2014 18.4180 179.3381 44 Q 3.7870 8.1832 118.3074 59.2878 28.8516 178.6222 45 K 3.8777 7.8364 119.0794 59.1456 32.5097 178.2289 46 A 4.0819 8.2109 121.5454 55.3938 18.3567 179.6317 47 V 3.4642 8.0191 116.5720 66.2522 31.3028 178.0383 48 A 3.9773 7.6193 119.0479 54.6939 18.2346 178.8280 49 L 4.2042 7.6431 115.7075 54.8324 42.2256 177.4880 50 V 3.6691 7.0581 120.0558 62.2643 32.0552 175.7381 51 S 4.1949 8.7183 121.5577 58.1940 63.0671 174.8507 52 F 4.1025 8.7792 124.1384 60.3849 38.9876 177.3192 53 E 3.8736 7.7516 119.9464 59.4087 29.3504 177.9799 54 Y 4.7860 7.9922 115.7585 57.9015 38.9854 177.9771 55 K 3.9997 8.5225 123.7821 60.4678 32.4356 178.1631 56 V 3.5522 7.7678 118.6408 65.7680 31.6565 177.8998 57 K 4.0771 8.0843 118.5478 58.7655 31.9915 178.6020 58 K 3.9095 8.4462 120.8283 59.8140 32.1593 178.6462 59 M 4.0628 8.1152 119.0095 58.3512 31.9543 178.9759 60 V 3.6127 7.8332 118.4022 66.0306 31.8449 178.1630 61 L 4.0414 8.5757 119.2637 57.6798 41.4129 179.3295 62 Q 3.9709 8.4599 120.0194 59.1785 29.0596 177.7924 63 E 4.1000 8.3645 120.3533 59.3887 29.6950 179.0650 64 R 3.9949 7.9278 117.9471 58.9443 30.0662 179.1397 65 I 3.9800 7.6430 119.3076 64.7182 37.3442 178.0638 66 D 4.4631 8.6167 120.0697 57.6621 40.3725 178.8494 67 N 4.3967 8.1482 116.1916 56.0273 38.9291 177.3844 68 V 3.4570 7.6559 119.5667 65.8553 31.5082 178.1197 69 L 4.0115 7.9728 118.7497 57.7400 41.2367 179.6437 70 K 4.0671 7.6669 116.8858 59.0760 31.9772 178.8030 71 Q 4.1652 7.6097 117.3470 55.7873 29.1552 176.8343 72 G 4.0145 7.2860 106.3838 45.1759 0.0000 172.9287 73 L 4.8412 8.0190 119.9918 53.1731 43.9943 177.6342 74 V 4.1975 8.2668 115.7190 60.8486 33.0942 176.8195 75 R 4.2914 8.4244 121.9608 56.2089 29.0662 175.4110 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 11 T 8.03 4.33 4.25 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 1.22 0.00 0.00 12 D 8.08 4.18 0.00 2.82 2.72 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 13 A 8.81 4.10 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 14 T 8.13 3.88 4.43 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 1.25 0.00 0.00 15 I 7.58 3.73 2.06 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 1.65 0.57 0.92 0.00 0.00 16 K 8.57 3.88 0.00 1.92 1.89 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.71 7.81 17 K 8.48 4.01 0.00 1.93 2.11 0.00 1.69 0.00 0.00 1.79 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.53 1.81 7.81 18 E 8.20 3.96 0.00 2.22 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 2.47 2.74 0.00 19 Q 8.58 3.97 0.00 2.19 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.54 2.54 0.00 20 K 8.29 3.89 0.00 1.91 1.84 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.75 1.61 7.81 21 L 7.67 3.80 0.00 1.34 1.57 0.71 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 22 I 7.76 3.80 1.98 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 1.46 0.62 0.93 0.00 0.00 23 Q 8.64 3.94 0.00 2.23 2.13 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 2.36 2.51 0.00 24 A 8.33 3.93 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 25 Q 8.09 3.92 0.00 2.21 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.75 0.00 0.00 0.00 0.00 0.00 2.33 2.66 0.00 26 N 8.27 4.31 0.00 2.96 2.86 0.00 0.00 7.10 6.56 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 27 L 8.20 4.10 0.00 1.70 1.70 0.97 1.09 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 28 V 8.28 3.70 2.29 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 1.06 0.00 0.00 1.01 0.00 0.00 29 R 8.24 4.21 0.00 2.01 2.10 0.00 3.20 0.00 0.00 3.19 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.50 0.00 30 E 8.66 3.96 0.00 2.26 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 2.33 2.50 0.00 31 F 8.38 4.46 0.00 3.17 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 32 E 8.39 3.74 0.00 2.19 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 2.26 2.61 0.00 33 K 7.58 4.02 0.00 1.92 1.86 0.00 1.70 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.76 7.81 34 T 8.08 4.19 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 35 H 8.63 3.87 0.00 3.29 3.35 0.00 5.61 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 T 7.79 5.06 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 37 V 8.24 3.64 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 1.00 0.00 0.00 1.00 0.00 0.00 38 S 8.13 4.03 0.00 3.93 3.86 0.00 0.00 0.00 0.00 0.00 0.00 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 8.10 4.03 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.95 2.58 0.00 2.91 3.40 0.00 5.80 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 41 R 7.78 3.66 0.00 1.95 1.87 0.00 3.15 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.82 0.00 42 K 7.74 3.89 0.00 1.73 1.80 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.65 7.81 43 A 7.77 3.88 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 44 Q 8.18 3.79 0.00 1.93 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.76 0.00 0.00 0.00 0.00 0.00 2.25 2.33 0.00 45 K 7.84 3.88 0.00 1.73 1.75 0.00 1.83 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.41 7.81 46 A 8.21 4.08 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 47 V 8.02 3.46 2.18 0.00 0.00 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 48 A 7.62 3.98 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.64 4.20 0.00 1.76 1.70 0.90 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 50 V 7.06 3.67 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 0.76 0.00 0.00 0.93 0.00 0.00 51 S 8.72 4.19 0.00 3.96 3.79 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.78 4.10 0.00 3.18 3.10 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 53 E 7.75 3.87 0.00 1.52 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.21 0.00 54 Y 7.99 4.79 0.00 3.07 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 55 K 8.52 4.00 0.00 2.01 2.39 0.00 1.36 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.55 7.81 56 V 7.77 3.55 2.14 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 1.05 0.00 0.00 0.96 0.00 0.00 57 K 8.08 4.08 0.00 1.94 1.82 0.00 1.67 0.00 0.00 1.75 0.00 0.00 2.96 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.47 1.52 7.81 58 K 8.45 3.91 0.00 1.97 1.99 0.00 1.70 0.00 0.00 1.52 0.00 0.00 2.79 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.40 1.44 7.81 59 M 8.12 4.06 0.00 2.14 2.27 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.01 2.58 0.00 60 V 7.83 3.61 2.25 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 1.04 0.00 0.00 0.99 0.00 0.00 61 L 8.58 4.04 0.00 1.85 1.70 0.88 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 62 Q 8.46 3.97 0.00 2.24 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.79 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 63 E 8.36 4.10 0.00 2.25 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 2.32 2.41 0.00 64 R 7.93 3.99 0.00 2.16 2.12 0.00 3.19 0.00 0.00 3.18 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.84 0.00 65 I 7.64 3.98 2.15 0.00 0.00 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 1.70 0.99 1.06 0.00 0.00 66 D 8.62 4.46 0.00 2.81 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 N 8.15 4.40 0.00 2.81 2.85 0.00 0.00 6.98 7.23 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 68 V 7.66 3.46 1.71 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 -0.40 0.00 0.00 0.72 0.00 0.00 69 L 7.97 4.01 0.00 1.94 1.71 0.95 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 70 K 7.67 4.07 0.00 1.90 1.87 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.80 7.81 71 Q 7.61 4.17 0.00 2.18 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.58 0.00 0.00 0.00 0.00 0.00 2.37 2.34 0.00 72 G 7.29 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 73 L 8.02 4.84 0.00 1.67 1.74 0.98 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 74 V 8.27 4.20 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 0.66 0.00 0.00 1.00 0.00 0.00 75 R 8.42 4.29 0.00 1.90 2.02 0.00 3.28 0.00 0.00 3.37 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.17 0.00