NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 3.8289 8.1976 109.7370 41.4581 0.0000 174.3950 4 I 2.9379 8.2148 114.4335 60.5131 37.9490 172.6789 5 R 4.6564 8.6724 122.7558 54.6654 31.8486 177.1338 6 E 4.2218 8.7669 124.3919 56.0131 31.2357 177.0565 7 K 4.7178 8.4976 122.1841 55.5189 32.2830 176.5869 8 I 4.2933 8.5340 127.0300 60.5345 38.8908 175.3221 9 K 4.9419 8.5345 123.9288 55.1902 34.7325 175.2869 10 L 4.9605 8.5516 125.1493 53.9892 42.9762 176.3713 11 V 4.7700 8.6149 124.3701 61.5006 34.0882 174.4692 12 S 3.8984 8.2228 120.9576 57.2124 62.4076 174.5151 13 S 4.2918 8.3964 122.0490 60.2107 63.0637 174.6520 14 A 4.2144 7.9796 124.6787 51.6046 18.8631 178.1503 15 G 3.9068 8.4593 106.2678 46.5029 0.0000 173.7318 16 T 4.4203 7.5276 115.2305 60.5699 68.5809 174.8737 17 G 4.1024 8.4497 114.2518 46.3244 0.0000 173.3300 18 H 4.8089 8.0331 119.8927 55.8094 31.2730 173.8311 19 F 5.0227 7.3487 115.2734 57.1771 39.6888 172.3882 20 Y 4.5062 8.7487 118.1253 57.2446 41.1094 174.3256 21 T 4.7528 8.0101 112.1289 62.4960 70.5295 173.8341 22 T 4.4276 8.2377 120.2323 62.3050 72.5204 171.0244 23 T 5.2137 8.4635 109.9259 60.4933 72.5695 172.7308 24 K 4.3988 8.9794 120.8600 55.2388 36.0850 174.5469 25 N 4.9674 8.3952 126.0704 51.3840 36.2166 175.0899 26 K 3.6500 8.2599 123.7484 59.2102 32.8164 178.2452 27 R 3.8315 7.6985 116.7034 58.4237 29.9651 177.1795 28 T 4.6528 8.6421 104.8044 61.0144 71.4644 173.9766 29 K 5.0109 7.3733 120.1175 53.9090 32.3080 175.5332 30 P 4.3387 0.0000 0.0000 63.2450 31.6158 176.3206 31 E 4.5113 8.1036 118.6997 53.9158 30.6708 175.5055 32 K 4.1442 8.6117 123.2016 55.7515 32.3672 176.6165 33 L 4.3006 8.3688 126.3337 54.8827 42.8660 175.5247 34 E 5.4502 8.4282 119.9363 55.8178 32.1977 175.0974 35 L 4.2714 8.6934 116.8553 55.3970 43.6456 170.8391 36 K 4.7641 8.5569 127.1955 55.9763 32.3377 174.7411 37 K 4.6288 8.5462 120.8584 55.4242 36.9548 174.1043 38 F 4.9211 8.7438 122.8711 57.8105 40.6733 175.2404 39 D 4.2514 7.5554 124.4156 50.6443 41.6276 174.2737 40 P 3.7985 0.0000 0.0000 65.4355 31.7506 178.2621 41 V 3.6327 7.6842 116.0451 65.9873 31.3244 177.0088 42 V 3.8035 8.0016 116.1554 62.6847 31.8469 175.4568 43 R 4.1310 7.6814 117.5274 57.2019 27.7696 176.1106 44 Q 4.9491 7.4281 112.3340 55.0820 33.6285 174.6667 45 H 4.9236 9.3201 121.3536 56.5512 29.6487 175.0382 46 V 4.5126 8.9941 121.4936 60.8754 35.4122 172.9946 47 I 4.5402 8.2802 120.4906 61.0902 38.3308 174.6665 48 Y 5.5250 8.7504 123.5400 55.6709 40.6503 174.4496 49 K 5.2794 8.3918 127.2206 55.9516 36.1292 171.1488 50 E 3.5560 9.0954 126.3712 57.0417 28.9459 175.5087 51 A 4.3777 8.5336 128.3227 54.8816 20.5123 176.0948 52 K 4.3704 8.2215 125.6354 57.3832 32.2587 175.3120 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 3 G 8.20 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 4 I 8.21 2.94 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.65 0.91 0.00 0.00 5 R 8.67 4.66 0.00 1.69 1.93 0.00 3.33 0.00 0.00 3.23 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.72 0.00 6 E 8.77 4.22 0.00 2.01 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.34 0.00 7 K 8.50 4.72 0.00 1.66 1.82 0.00 1.76 0.00 0.00 1.72 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.48 7.81 8 I 8.53 4.29 1.90 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.91 0.96 0.00 0.00 9 K 8.53 4.94 0.00 1.85 1.95 0.00 1.64 0.00 0.00 1.91 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.32 1.37 7.81 10 L 8.55 4.96 0.00 1.89 1.91 1.02 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.61 4.77 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 0.92 0.00 0.00 0.96 0.00 0.00 12 S 8.22 3.90 0.00 3.71 3.81 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.40 4.29 0.00 3.86 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 14 A 7.98 4.21 1.20 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 15 G 8.46 3.91 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 0.00 0.00 0.00 16 T 7.53 4.42 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 17 G 8.45 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 0.00 0.00 0.00 18 H 8.03 4.81 0.00 3.24 3.40 0.00 5.63 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 F 7.35 5.02 0.00 3.37 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 20 Y 8.75 4.51 0.00 2.67 2.79 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 21 T 8.01 4.75 4.29 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 1.19 0.00 0.00 22 T 8.24 4.43 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 1.23 0.00 0.00 23 T 8.46 5.21 4.33 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 1.22 0.00 0.00 24 K 8.98 4.40 0.00 1.81 1.64 0.00 1.74 0.00 0.00 1.65 0.00 0.00 3.23 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.35 1.38 7.81 25 N 8.40 4.97 0.00 2.81 2.70 0.00 0.00 6.66 6.75 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 26 K 8.26 3.65 0.00 1.87 1.97 0.00 1.67 0.00 0.00 1.90 0.00 0.00 2.97 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.52 1.57 7.81 27 R 7.70 3.83 0.00 2.01 1.98 0.00 3.17 0.00 0.00 3.28 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.73 0.00 28 T 8.64 4.65 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 29 K 7.37 5.01 0.00 1.62 1.74 0.00 1.70 0.00 0.00 1.75 0.00 0.00 3.16 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.48 1.48 7.81 30 P 0.00 4.34 0.00 2.04 2.08 0.00 3.65 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.22 0.00 31 E 8.10 4.51 0.00 2.12 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 0.00 2.21 2.40 0.00 32 K 8.61 4.14 0.00 1.78 1.84 0.00 1.80 0.00 0.00 0.83 0.00 0.00 2.98 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.53 1.41 7.81 33 L 8.37 4.30 0.00 1.60 1.58 0.93 0.94 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 34 E 8.43 5.45 0.00 2.20 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 2.20 2.29 0.00 35 L 8.69 4.27 0.00 1.72 1.75 0.86 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 36 K 8.56 4.76 0.00 2.01 2.00 0.00 1.83 0.00 0.00 2.41 0.00 0.00 2.84 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.55 1.47 7.81 37 K 8.55 4.63 0.00 1.01 1.10 0.00 1.05 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.08 1.20 7.81 38 F 8.74 4.92 0.00 2.68 3.01 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 39 D 7.56 4.25 0.00 2.70 2.30 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 0.00 40 P 0.00 3.80 0.00 1.93 2.12 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.03 0.00 41 V 7.68 3.63 2.24 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 0.73 0.00 0.00 0.93 0.00 0.00 42 V 8.00 3.80 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 0.81 0.00 0.00 0.93 0.00 0.00 43 R 7.68 4.13 0.00 2.04 2.15 0.00 3.60 0.00 0.00 3.32 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.78 0.00 44 Q 7.43 4.95 0.00 2.13 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 7.09 0.00 0.00 0.00 0.00 0.00 2.44 2.37 0.00 45 H 9.32 4.92 0.00 3.11 3.38 0.00 5.88 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 V 8.99 4.51 2.07 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 0.63 0.00 0.00 0.89 0.00 0.00 47 I 8.28 4.54 1.85 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.75 0.94 0.00 0.00 48 Y 8.75 5.53 0.00 2.92 2.94 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 0.00 0.00 0.00 0.00 49 K 8.39 5.28 0.00 1.87 1.69 0.00 1.79 0.00 0.00 1.78 0.00 0.00 3.12 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.48 7.81 50 E 9.10 3.56 0.00 2.14 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 2.22 2.50 0.00 51 A 8.53 4.38 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 52 K 8.22 4.37 0.00 1.85 1.92 0.00 1.79 0.00 0.00 1.75 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.39 1.43 7.81