NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2836 8.1727 122.0307 56.3535 33.9343 174.0171 2 S 4.8647 8.4291 121.0073 55.1381 65.4657 172.1582 3 C 5.0783 9.3820 124.4032 55.3640 44.3986 173.0723 4 C 5.4778 8.6990 120.0262 55.0373 42.8089 174.7782 5 R 4.1756 8.1012 114.5234 57.0490 29.7806 175.4996 6 N 4.6338 7.6173 116.0078 51.3097 39.7895 175.4752 7 T 4.2162 8.2150 116.6357 65.6483 68.2319 176.5032 8 L 3.9239 8.0357 122.0880 58.3914 41.9972 178.8702 9 A 4.0112 7.7989 119.9445 54.8750 18.4385 179.0507 10 R 3.8456 8.4357 117.7889 59.8815 29.9324 178.5130 11 N 4.3195 8.2292 115.8191 56.5430 38.6445 176.2653 12 C 4.0675 8.3944 120.1736 60.2010 44.7207 175.3007 13 Y 4.0256 8.3293 121.0399 60.9402 38.4957 177.5382 14 N 4.3921 8.9506 117.6396 56.0794 38.5195 177.3941 15 A 4.0668 8.4254 122.7915 55.2791 18.3479 178.8802 16 C 4.2856 8.5185 116.2791 59.7335 43.7268 175.4954 17 R 3.7338 7.8964 119.8372 58.8516 29.6253 177.9892 18 F 4.0168 8.0703 120.3041 60.8333 39.7325 175.5355 19 T 4.2499 8.0493 107.0276 61.4384 69.2153 173.4208 20 G 3.8837 8.5118 108.0111 45.9062 0.0000 173.6102 21 G 3.9277 7.5342 110.1853 43.2258 0.0000 175.5220 22 S 4.2496 8.4302 120.7263 58.2049 64.8962 174.9381 23 Q 3.7462 8.4850 122.2853 58.7516 28.6240 176.5512 24 P 4.2640 0.0000 0.0000 66.0961 31.5270 178.4687 25 T 3.9030 7.4124 114.0669 67.0079 68.2825 175.9403 26 C 4.3731 8.4965 118.4981 60.0971 40.2838 176.4262 27 G 3.6166 8.4496 106.8747 47.5923 0.0000 175.2540 28 I 3.9368 8.1249 122.9837 64.0544 37.1391 178.1903 29 L 4.0152 8.3946 119.8802 58.1319 41.6321 178.0608 30 C 4.5015 8.3581 112.9340 56.8224 39.1734 172.9598 31 D 4.3738 7.9520 119.4893 55.6734 38.2543 172.3479 32 C 5.1330 8.0386 115.3421 55.9918 40.8598 173.8850 33 I 4.5681 7.9951 112.4453 59.9602 40.7729 173.0199 34 H 5.0794 8.7106 121.3615 55.3363 32.0427 174.1133 35 V 4.4889 8.2661 119.6726 59.2863 33.6131 176.4281 36 T 4.5820 7.8936 111.9185 61.1244 68.8115 173.6196 37 T 4.1717 7.5157 111.5791 62.5389 70.2325 174.3618 38 T 3.9619 8.4946 117.1982 66.6788 68.3954 174.5788 39 T 4.3172 7.0564 112.5210 62.5337 72.9235 172.5227 40 C 4.2000 8.7317 120.8003 56.8276 34.6734 172.7343 41 P 4.6034 0.0000 0.0000 61.8079 32.1687 177.2554 42 S 4.1247 8.5806 114.2286 61.7856 62.7357 176.3848 43 S 4.2369 7.9956 113.5253 61.0256 62.3988 173.8046 44 H 4.7767 7.6463 116.4375 53.1408 29.7753 170.9165 45 P 4.3861 0.0000 0.0000 65.0670 31.9451 177.3852 46 S 4.2682 8.4495 118.4704 58.1819 62.2585 173.2822 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 K 8.17 4.28 0.00 1.76 1.79 0.00 1.57 0.00 0.00 1.76 0.00 0.00 2.79 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.37 1.35 7.81 2 S 8.43 4.86 0.00 3.97 3.63 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 0.00 0.00 0.00 0.00 3 C 9.38 5.08 0.00 2.79 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 4 C 8.70 5.48 0.00 2.73 3.03 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 5 R 8.10 4.18 0.00 1.76 1.84 0.00 3.04 0.00 0.00 3.24 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.55 0.00 6 N 7.62 4.63 0.00 2.86 2.90 0.00 0.00 6.33 7.22 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 7 T 8.22 4.22 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 8 L 8.04 3.92 0.00 1.71 1.68 0.92 1.10 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 9 A 7.80 4.01 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.44 3.85 0.00 1.90 2.11 0.00 3.17 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.77 0.00 11 N 8.23 4.32 0.00 3.00 2.86 0.00 0.00 6.66 7.02 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 12 C 8.39 4.07 0.00 3.01 3.44 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 0.00 13 Y 8.33 4.03 0.00 3.12 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 14 N 8.95 4.39 0.00 2.96 2.94 0.00 0.00 7.05 7.01 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 15 A 8.43 4.07 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 16 C 8.52 4.29 0.00 2.93 3.22 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 0.00 17 R 7.90 3.73 0.00 1.65 2.05 0.00 3.14 0.00 0.00 3.06 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 18 F 8.07 4.02 0.00 3.25 3.24 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 0.00 19 T 8.05 4.25 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 20 G 8.51 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 G 7.53 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 22 S 8.43 4.25 0.00 4.03 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 23 Q 8.48 3.75 0.00 2.08 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 7.00 0.00 0.00 0.00 0.00 0.00 2.52 2.39 0.00 24 P 0.00 4.26 0.00 2.20 2.09 0.00 3.60 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.19 0.00 25 T 7.41 3.90 4.47 0.00 0.00 0.00 0.00 0.00 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 26 C 8.50 4.37 0.00 2.81 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 27 G 8.45 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 28 I 8.12 3.94 2.03 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 1.00 0.93 0.00 0.00 29 L 8.39 4.02 0.00 1.67 1.76 0.93 0.99 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 30 C 8.36 4.50 0.00 3.24 3.37 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 31 D 7.95 4.37 0.00 2.98 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 C 8.04 5.13 0.00 2.83 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 33 I 8.00 4.57 1.77 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.80 0.69 0.00 0.00 34 H 8.71 5.08 0.00 3.15 3.17 0.00 5.71 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 V 8.27 4.49 2.03 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 0.66 0.00 0.00 0.87 0.00 0.00 36 T 7.89 4.58 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 1.27 0.00 0.00 37 T 7.52 4.17 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 38 T 8.49 3.96 4.23 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 1.21 0.00 0.00 39 T 7.06 4.32 4.23 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 1.20 0.00 0.00 40 C 8.73 4.20 0.00 2.93 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 41 P 0.00 4.60 0.00 2.23 2.20 0.00 3.81 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 2.19 1.99 0.00 42 S 8.58 4.12 0.00 3.88 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 43 S 8.00 4.24 0.00 3.85 3.99 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 44 H 7.65 4.78 0.00 3.06 3.26 0.00 5.91 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 P 0.00 4.39 0.00 2.16 2.17 0.00 3.70 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.93 0.00 46 S 8.45 4.27 0.00 3.86 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