NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2806 8.2644 123.5821 50.8194 21.0583 176.5903 2 V 4.3393 7.1897 114.0361 59.6631 35.2727 173.7027 3 Q 4.2583 8.5474 122.0943 55.4985 30.1038 176.1102 4 Q 4.1850 8.6253 123.0783 57.8646 29.6586 175.0800 5 N 4.7166 7.6270 111.8474 51.4187 39.5180 174.2322 6 K 3.8369 8.7410 119.7284 56.1609 32.4540 175.1405 7 P 4.2887 0.0000 0.0000 62.7092 31.9801 177.0621 8 T 4.1525 8.3126 119.5933 63.2907 70.5645 175.4029 9 R 4.0571 8.3965 120.3785 59.1869 30.0504 179.1594 10 S 4.2528 8.0967 113.2701 60.4774 62.5972 176.2888 11 K 4.0664 7.6401 121.4572 58.7748 32.9454 178.4590 12 R 4.1680 7.8479 116.1799 59.2372 29.2772 179.1944 13 G 3.5325 8.1004 106.5539 47.6391 0.0000 175.2115 14 M 4.1649 7.4159 118.3893 57.2391 32.2164 177.3247 15 R 4.4126 7.5224 116.1127 58.1267 31.1833 177.5001 16 R 4.5426 7.7799 117.1068 56.0019 29.8679 178.2822 17 S 4.4093 7.7310 109.8235 59.2116 62.5492 174.9369 18 H 4.8776 8.1915 117.9666 55.0881 29.4932 172.6507 19 D 4.3391 8.2379 120.9815 53.6647 40.5702 174.6957 20 A 3.7747 8.0824 127.8515 51.1569 18.6858 176.2457 21 L 4.9124 8.1288 119.1924 53.6773 46.8060 177.2133 22 T 4.3983 8.0314 116.6204 62.4570 68.7179 176.1062 23 A 3.6071 8.6902 124.3312 54.2770 15.0887 178.8024 24 V 3.6130 7.8103 118.2909 63.8539 32.3752 175.0978 25 T 3.4187 7.4953 112.5729 63.8313 66.0359 171.0509 26 S 4.5299 7.5525 116.5927 56.8327 65.3689 173.6107 27 L 3.9285 8.4407 120.4678 56.4638 41.4347 177.8322 28 S 5.0929 8.7331 118.6527 59.2908 63.9706 174.6950 29 V 4.5193 7.4694 117.1549 61.1494 34.1541 174.5956 30 D 4.7821 8.1940 119.8659 52.3044 40.8761 174.8468 31 K 4.7156 7.3696 121.3898 56.6392 34.3136 174.1203 32 T 4.5633 6.9736 109.2974 60.5552 70.1516 174.8824 33 S 4.4838 8.6931 121.7553 59.1961 62.9007 175.1489 34 G 4.0902 7.7308 109.1342 45.9059 0.0000 176.4799 35 E 4.1571 7.7422 117.6012 56.3177 29.5917 171.9953 36 K 3.9153 8.7881 127.9518 57.0827 33.8744 176.8066 37 H 4.7710 8.0851 122.3283 55.8466 29.9652 176.1456 38 L 4.9298 8.4667 122.7723 55.1843 41.7387 176.4201 39 R 4.6478 7.7489 120.8066 56.8849 37.3897 174.2395 40 H 4.9441 7.8265 116.8020 54.5344 33.3335 173.4583 41 H 4.8182 7.4306 122.1790 55.8865 32.0799 174.8035 42 I 3.9894 7.3124 117.9574 60.7368 37.5318 175.7864 43 T 3.8446 8.2404 118.0396 62.2190 69.3019 174.1857 44 A 3.8232 8.8233 125.1610 52.5585 16.0070 176.6841 45 D 5.0052 6.4235 118.2573 55.3138 44.4651 175.6613 46 G 3.8105 7.0657 107.4260 43.7993 0.0000 171.6270 47 Y 4.4289 6.5388 115.1905 56.7540 38.7469 172.2136 48 Y 4.1145 8.0038 121.5550 59.1912 39.5443 176.5744 49 R 3.8650 7.8892 121.3082 58.2254 31.3250 177.5157 50 G 3.6189 7.9440 103.7465 44.2342 0.0000 172.7852 51 R 3.2974 6.0022 120.9295 54.8822 28.9769 175.5752 52 K 4.3215 8.4750 128.3637 55.2250 31.9687 176.1773 53 V 3.7839 8.8384 131.3095 62.6211 31.5066 172.9899 54 I 4.7854 7.0894 118.1351 59.6092 42.6119 173.6666 55 A 4.9417 8.3867 124.6067 52.1608 18.4264 176.1515 56 K 4.1603 9.3766 122.7963 57.8865 32.2589 175.5322 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 A 8.26 4.28 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 2 V 7.19 4.34 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 0.85 0.00 0.00 0.93 0.00 0.00 3 Q 8.55 4.26 0.00 2.06 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.87 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 4 Q 8.63 4.19 0.00 2.01 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.75 0.00 0.00 0.00 0.00 0.00 2.33 2.34 0.00 5 N 7.63 4.72 0.00 2.80 2.72 0.00 0.00 6.06 7.13 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 6 K 8.74 3.84 0.00 1.76 1.83 0.00 1.75 0.00 0.00 1.76 0.00 0.00 2.84 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.45 7.81 7 P 0.00 4.29 0.00 2.17 2.07 0.00 3.77 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 8 T 8.31 4.15 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 9 R 8.40 4.06 0.00 1.85 1.97 0.00 3.13 0.00 0.00 3.39 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.68 0.00 10 S 8.10 4.25 0.00 4.04 4.13 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 11 K 7.64 4.07 0.00 1.93 1.89 0.00 1.77 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.40 1.43 7.81 12 R 7.85 4.17 0.00 2.08 2.19 0.00 2.77 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 13 G 8.10 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 7.42 4.16 0.00 2.27 2.27 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.59 0.00 15 R 7.52 4.41 0.00 2.05 1.97 0.00 3.38 0.00 0.00 3.23 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.80 0.00 16 R 7.78 4.54 0.00 1.95 1.92 0.00 3.30 0.00 0.00 3.22 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.77 0.00 17 S 7.73 4.41 0.00 3.83 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 18 H 8.19 4.88 0.00 3.09 3.23 0.00 5.65 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 D 8.24 4.34 0.00 2.78 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.08 3.77 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 21 L 8.13 4.91 0.00 1.56 1.52 0.96 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 22 T 8.03 4.40 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 23 A 8.69 3.61 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 24 V 7.81 3.61 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 0.80 0.00 0.00 0.94 0.00 0.00 25 T 7.50 3.42 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 26 S 7.55 4.53 0.00 3.92 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 27 L 8.44 3.93 0.00 1.69 1.68 0.94 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 28 S 8.73 5.09 0.00 3.83 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 0.00 29 V 7.47 4.52 1.98 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 0.94 0.00 0.00 0.93 0.00 0.00 30 D 8.19 4.78 0.00 2.80 2.74 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 31 K 7.37 4.72 0.00 1.72 1.90 0.00 1.64 0.00 0.00 1.68 0.00 0.00 2.80 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.18 1.24 7.81 32 T 6.97 4.56 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 0.74 0.00 0.00 33 S 8.69 4.48 0.00 3.99 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.73 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 E 7.74 4.16 0.00 2.06 1.94 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 2.33 2.27 0.00 36 K 8.79 3.92 0.00 2.01 1.82 0.00 1.68 0.00 0.00 1.74 0.00 0.00 3.10 0.00 0.00 3.47 0.00 0.00 0.00 0.00 1.54 1.66 7.81 37 H 8.09 4.77 0.00 3.29 3.24 0.00 5.66 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 L 8.47 4.93 0.00 1.66 1.69 1.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 39 R 7.75 4.65 0.00 1.68 1.89 0.00 3.17 0.00 0.00 3.06 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.58 0.00 40 H 7.83 4.94 0.00 3.25 3.10 0.00 5.72 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 41 H 7.43 4.82 0.00 2.75 2.67 0.00 6.00 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 I 7.31 3.99 1.65 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.97 0.49 0.00 0.00 43 T 8.24 3.84 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 1.11 0.00 0.00 44 A 8.82 3.82 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 6.42 5.01 0.00 2.70 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.07 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 0.00 0.00 0.00 47 Y 6.54 4.43 0.00 3.18 3.09 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 0.00 0.00 0.00 0.00 48 Y 8.00 4.11 0.00 3.22 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 49 R 7.89 3.86 0.00 1.88 1.95 0.00 3.35 0.00 0.00 3.30 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.97 0.00 50 G 7.94 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 51 R 6.00 3.30 0.00 1.59 1.75 0.00 3.20 0.00 0.00 3.10 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 52 K 8.48 4.32 0.00 1.83 2.16 0.00 2.13 0.00 0.00 1.87 0.00 0.00 3.16 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.59 7.81 53 V 8.84 3.78 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 0.77 0.00 0.00 0.95 0.00 0.00 54 I 7.09 4.79 1.90 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 1.36 0.66 0.96 0.00 0.00 55 A 8.39 4.94 1.05 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 0.00 0.00 0.00 0.00 0.00 56 K 9.38 4.16 0.00 1.76 1.72 0.00 1.82 0.00 0.00 1.75 0.00 0.00 2.87 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.45 7.81