NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 R 4.3018 8.3545 119.0730 56.0433 30.1958 174.9025 -1 K 4.6338 8.0391 125.2645 51.7427 36.4302 174.9310 0 L 3.4382 8.9070 120.4607 56.4302 41.5028 179.2516 1 C 4.5265 9.0856 124.3880 61.0154 39.9573 175.7292 2 S 3.9068 8.0997 114.5292 59.8978 62.8322 173.8948 3 L 4.2666 8.4524 123.4642 53.7986 41.4406 175.5767 4 D 4.4413 9.3405 129.0335 55.4374 39.8847 173.3654 5 N 4.2345 8.3150 109.7183 53.3456 37.6407 174.2559 6 G 3.7503 8.7339 101.4953 45.7453 0.0000 174.7521 7 D 4.5214 8.2815 115.9841 54.3096 40.5268 173.4909 8 C 4.6011 7.9396 114.6811 57.0289 40.9620 173.7121 9 D 4.4948 8.5720 122.9970 56.8955 42.2412 177.4266 10 Q 4.4199 7.7040 111.7211 56.0095 30.5915 179.0638 11 F 4.7727 6.1264 127.0577 58.3144 40.5215 173.2438 12 C 5.4994 8.9209 122.3836 55.1039 44.4371 172.3667 13 H 5.1903 9.4912 125.2339 54.4626 33.5291 171.7183 14 E 4.8895 8.6238 123.2312 54.9001 30.8602 175.2383 15 E 4.5972 8.7781 124.7178 55.5884 33.2860 175.8000 16 Q 3.1932 8.2993 122.0839 57.6435 27.8593 174.3565 17 N 5.0056 8.7678 120.3184 54.2411 39.4669 173.4960 18 S 4.6918 7.8667 109.9284 55.5582 65.5939 172.7141 19 V 4.1214 8.3071 126.5628 62.9413 32.2561 175.1711 20 V 4.4425 9.4200 128.0128 61.4210 34.1219 173.6960 21 C 5.4499 8.8969 125.2298 56.1873 38.0026 172.6679 22 S 4.6806 8.7925 115.2032 57.8471 66.6775 171.7367 23 C 4.9048 8.4893 115.5270 54.4236 38.5203 174.4491 24 A 4.4610 9.0534 124.6967 51.9038 18.6609 177.4398 25 R 4.1481 8.4693 120.0861 58.1536 30.6665 177.1282 26 G 3.9694 9.3528 112.5113 45.1268 0.0000 171.9137 27 Y 5.2408 7.6652 116.0436 56.1379 41.2632 175.1503 28 T 4.7530 9.0267 112.0960 59.5262 72.1833 173.0097 29 L 4.5566 8.4965 125.7480 54.9196 42.8187 176.5025 30 A 4.2902 9.1817 128.6682 51.6159 19.3838 177.9981 31 D 4.2885 8.7974 118.8934 57.5252 40.8813 177.9099 32 N 4.4715 8.2055 113.5864 52.7600 37.5281 175.3179 33 G 4.0112 8.3778 106.8940 46.5386 0.0000 174.1508 34 K 4.4755 8.6506 118.2149 57.5819 35.4157 176.8563 35 A 4.7192 8.2622 120.5964 51.8238 20.1734 176.6527 36 C 5.3403 8.9844 117.2762 55.2180 40.9192 173.6538 37 I 4.6461 8.9339 125.0681 58.6231 39.2940 173.5287 38 P 4.1558 0.0000 0.0000 62.9465 31.1484 176.8294 39 T 4.0314 8.7666 115.0078 64.0763 69.6874 174.4037 40 G 3.9836 7.1277 108.0921 44.5955 0.0000 170.9021 41 P 4.1180 0.0000 0.0000 63.2500 32.4265 175.7332 42 Y 3.6254 7.6832 116.3713 58.5928 35.1680 169.3889 43 P 4.3398 0.0000 0.0000 62.0818 32.7510 176.5363 44 C 4.3151 8.3942 114.9043 59.8629 29.9183 174.2568 45 G 3.9674 8.9767 109.2286 45.5733 0.0000 173.0411 46 K 4.5807 7.3376 118.9337 54.0446 33.7008 176.4578 47 Q 4.1414 8.6946 123.2960 56.3204 29.2866 176.1411 48 T 4.4215 8.3701 111.8642 60.8780 70.1847 174.7842 49 L 4.3420 8.4512 123.9425 54.8954 42.1078 176.2110 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 -2 R 8.35 4.30 0.00 1.85 1.85 0.00 3.18 0.00 0.00 3.22 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.20 0.00 -1 K 8.04 4.63 0.00 1.72 1.66 0.00 1.91 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.33 1.09 7.81 0 L 8.91 3.44 0.00 1.99 1.02 1.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 1 C 9.09 4.53 0.00 3.12 3.17 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.10 3.91 0.00 3.99 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 L 8.45 4.27 0.00 1.84 1.70 0.92 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 4 D 9.34 4.44 0.00 2.89 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.32 4.23 0.00 3.00 2.81 0.00 0.00 7.58 7.90 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 6 G 8.73 3.75 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 0.00 0.00 0.00 7 D 8.28 4.52 0.00 2.82 2.80 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 8 C 7.94 4.60 0.00 3.08 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 9 D 8.57 4.49 0.00 2.66 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.70 4.42 0.00 1.48 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.82 6.95 0.00 0.00 0.00 0.00 0.00 1.86 1.97 0.00 11 F 6.13 4.77 0.00 3.00 2.87 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 0.00 0.00 0.00 12 C 8.92 5.50 0.00 3.06 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 13 H 9.49 5.19 0.00 3.18 3.10 0.00 5.63 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 E 8.62 4.89 0.00 1.82 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 2.21 2.30 0.00 15 E 8.78 4.60 0.00 1.95 1.79 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 2.20 2.17 0.00 16 Q 8.30 3.19 0.00 2.16 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.53 0.00 0.00 0.00 0.00 0.00 2.27 2.32 0.00 17 N 8.77 5.01 0.00 2.61 2.74 0.00 0.00 6.52 7.63 0.00 0.00 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 S 7.87 4.69 0.00 3.85 3.74 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.31 4.12 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 0.80 0.00 0.00 0.93 0.00 0.00 20 V 9.42 4.44 2.12 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 1.02 0.00 0.00 0.99 0.00 0.00 21 C 8.90 5.45 0.00 3.04 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 22 S 8.79 4.68 0.00 3.98 4.03 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 23 C 8.49 4.90 0.00 2.80 2.85 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 24 A 9.05 4.46 1.28 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 0.00 0.00 25 R 8.47 4.15 0.00 1.87 1.94 0.00 3.26 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 26 G 9.35 3.97 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 0.00 0.00 0.00 27 Y 7.67 5.24 0.00 2.92 2.80 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 28 T 9.03 4.75 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 1.23 0.00 0.00 29 L 8.50 4.56 0.00 1.67 1.63 1.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 30 A 9.18 4.29 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 0.00 0.00 0.00 0.00 0.00 31 D 8.80 4.29 0.00 2.68 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.21 4.47 0.00 2.81 2.92 0.00 0.00 5.99 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 33 G 8.38 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 34 K 8.65 4.48 0.00 1.76 1.93 0.00 1.66 0.00 0.00 1.87 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.33 1.57 7.81 35 A 8.26 4.72 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 36 C 8.98 5.34 0.00 2.63 2.82 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.93 4.65 1.90 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 1.25 1.25 0.91 0.00 0.00 38 P 0.00 4.16 0.00 1.75 1.58 0.00 3.66 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.04 0.00 39 T 8.77 4.03 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 1.20 0.00 0.00 40 G 7.13 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.12 0.00 2.09 1.81 0.00 3.82 0.00 0.00 3.61 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 42 Y 7.68 3.63 0.00 3.10 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 43 P 0.00 4.34 0.00 1.78 1.69 0.00 3.60 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.79 0.00 44 C 8.39 4.32 0.00 3.20 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 45 G 8.98 3.97 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 0.00 0.00 0.00 46 K 7.34 4.58 0.00 1.92 1.78 0.00 1.79 0.00 0.00 1.78 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.70 1.60 7.81 47 Q 8.69 4.14 0.00 2.06 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.86 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 48 T 8.37 4.42 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 1.40 0.00 0.00 49 L 8.45 4.34 0.00 1.62 1.58 0.91 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00