NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 E 4.3748 8.3033 120.1750 56.2631 31.6225 174.4381 5 L 4.6386 8.2228 121.1338 52.3927 43.4306 174.9892 6 C 4.2841 8.9914 123.4507 59.1312 32.6315 174.4758 7 S 3.9522 8.6089 122.6333 61.1414 61.9715 174.6485 8 F 3.8234 7.4267 123.8966 60.0176 39.7587 176.4824 9 S 4.0513 8.3232 119.0603 59.2115 63.1360 175.5936 10 G 3.9407 8.3959 108.2063 44.9727 0.0000 173.2883 11 Y 4.2436 7.7635 116.9082 58.2386 38.9490 176.2055 12 K 4.4949 8.8247 123.8550 56.8421 33.3088 176.0155 13 I 4.2695 8.6413 128.0087 60.3119 37.8138 175.4408 14 Y 3.7848 8.8712 128.7899 56.7475 39.1229 173.7414 15 P 4.1708 0.0000 0.0000 64.1990 31.7058 176.0840 16 G 3.8906 9.1166 107.6231 46.5029 0.0000 172.1239 17 H 4.6849 7.6829 117.0512 55.0423 33.2555 173.3478 18 G 4.2259 8.3367 105.8391 45.4851 0.0000 172.7719 19 R 4.8172 8.6097 117.1097 54.1120 33.9904 174.6855 20 R 5.1291 8.7092 122.4605 54.7876 32.5658 174.0727 21 Y 4.5375 9.2754 128.0781 56.1336 40.5062 174.0679 22 A 4.7047 7.9092 129.4237 50.6722 19.4338 177.0314 23 R 4.2124 8.9415 123.4863 56.2408 31.0792 177.1973 24 T 3.8372 8.6291 115.8235 65.3102 67.3767 174.6893 25 D 4.4073 8.2110 120.0071 56.0966 40.8267 177.6428 26 G 3.9780 8.2382 105.6265 44.3728 0.0000 173.4635 27 K 4.1778 7.8956 121.3175 56.6407 33.5080 175.6538 28 V 4.9566 8.3341 118.5466 59.4812 34.6819 174.7148 29 F 4.2323 8.9749 126.5245 56.2536 42.1406 173.7783 30 Q 4.5788 7.2735 123.8228 55.2115 29.1520 175.3227 31 F 4.7352 8.7804 124.1519 55.7497 40.3871 177.4179 32 L 4.0691 9.0148 125.5386 57.8846 42.5829 176.4321 33 N 5.0676 7.9711 113.8874 50.8470 43.5283 174.4629 34 A 3.9035 8.5534 124.4639 54.9087 18.2366 179.5289 35 K 3.6583 7.9971 117.5670 60.0098 32.1230 178.3494 36 C 4.2025 8.0744 116.0868 62.9848 28.0868 175.6388 37 E 2.5400 7.5553 119.4780 59.1170 28.9136 179.3791 38 S 3.9407 8.3627 112.7779 61.4018 62.5660 175.9680 39 A 3.9707 8.2106 123.5677 55.1861 18.0353 179.3053 40 F 3.5734 8.4858 119.2307 61.3438 39.2408 177.1973 41 L 3.9228 8.0081 117.7074 57.9349 41.5496 179.3361 42 S 4.1526 7.9534 112.8200 58.9918 62.6609 174.9126 43 K 3.6048 7.6224 120.1265 57.0038 29.8324 176.2303 44 R 4.0957 7.4174 117.1256 56.0468 30.8193 175.8636 45 N 4.8630 8.3573 118.4714 51.1098 39.8005 174.7034 46 P 4.4889 0.0000 0.0000 65.7770 31.5984 178.7553 47 R 4.1571 8.0275 114.5069 58.9779 29.6712 177.8328 48 Q 3.7884 7.8881 117.3385 58.1600 28.5496 176.6211 49 I 4.1922 7.3177 117.3246 59.7708 38.9906 175.9984 50 N 4.7430 9.1015 125.7536 56.3076 38.6818 176.4219 51 W 4.5059 8.5044 113.6821 59.4868 28.7342 176.9632 52 T 3.1905 6.7431 115.0286 63.4680 68.4826 175.4901 53 V 3.5325 8.0020 119.1837 64.2136 32.0600 177.9693 54 L 3.5901 6.4819 120.8748 58.3130 42.2582 177.4772 55 Y 4.2493 6.9226 118.2643 56.2257 37.4745 175.2153 56 R 3.8920 7.5917 121.1157 56.3666 29.7209 177.0069 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 4 E 8.30 4.37 0.00 1.90 1.92 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 2.28 2.28 0.00 5 L 8.22 4.64 0.00 1.67 1.56 0.88 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 6 C 8.99 4.28 0.00 3.06 2.99 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 7 S 8.61 3.95 0.00 3.67 3.70 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.43 3.82 0.00 3.35 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 9 S 8.32 4.05 0.00 4.43 4.31 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.40 3.94 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 0.00 0.00 0.00 11 Y 7.76 4.24 0.00 3.04 2.98 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 12 K 8.82 4.49 0.00 1.82 1.80 0.00 1.77 0.00 0.00 1.72 0.00 0.00 2.95 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.45 1.70 7.81 13 I 8.64 4.27 1.91 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 1.21 0.79 1.00 0.00 0.00 14 Y 8.87 3.78 0.00 3.12 2.93 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 15 P 0.00 4.17 0.00 2.03 1.85 0.00 2.20 0.00 0.00 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.51 0.00 16 G 9.12 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 17 H 7.68 4.68 0.00 3.25 3.44 0.00 6.00 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 G 8.34 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 0.00 0.00 0.00 0.00 19 R 8.61 4.82 0.00 1.97 1.93 0.00 3.27 0.00 0.00 3.10 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.73 0.00 20 R 8.71 5.13 0.00 1.80 1.81 0.00 3.18 0.00 0.00 3.12 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.71 0.00 21 Y 9.28 4.54 0.00 3.50 3.25 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 0.00 22 A 7.91 4.70 1.08 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 0.00 0.00 23 R 8.94 4.21 0.00 2.04 1.90 0.00 3.31 0.00 0.00 3.42 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.80 0.00 24 T 8.63 3.84 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 1.26 0.00 0.00 25 D 8.21 4.41 0.00 2.83 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.24 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 27 K 7.90 4.18 0.00 1.90 1.75 0.00 1.73 0.00 0.00 1.90 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.58 1.53 7.81 28 V 8.33 4.96 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 0.72 0.00 0.00 0.89 0.00 0.00 29 F 8.97 4.23 0.00 2.94 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 Q 7.27 4.58 0.00 1.67 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.43 0.00 0.00 0.00 0.00 0.00 2.28 2.15 0.00 31 F 8.78 4.74 0.00 3.16 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 L 9.01 4.07 0.00 1.79 1.91 1.06 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 33 N 7.97 5.07 0.00 2.88 2.61 0.00 0.00 7.09 8.76 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 34 A 8.55 3.90 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 35 K 8.00 3.66 0.00 1.65 1.64 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.13 0.00 0.00 2.59 0.00 0.00 0.00 0.00 1.34 1.18 7.81 36 C 8.07 4.20 0.00 3.52 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 37 E 7.56 2.54 0.00 1.84 1.43 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 1.47 1.99 0.00 38 S 8.36 3.94 0.00 3.74 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 39 A 8.21 3.97 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.49 3.57 0.00 3.48 3.20 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 41 L 8.01 3.92 0.00 1.71 1.65 0.79 0.69 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 42 S 7.95 4.15 0.00 3.96 3.87 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 43 K 7.62 3.60 0.00 1.78 1.78 0.00 1.47 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.38 1.44 7.81 44 R 7.42 4.10 0.00 1.95 1.87 0.00 3.20 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.56 0.00 45 N 8.36 4.86 0.00 2.73 2.74 0.00 0.00 6.74 8.03 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 46 P 0.00 4.49 0.00 2.31 2.73 0.00 3.82 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.26 0.00 47 R 8.03 4.16 0.00 2.04 2.17 0.00 3.07 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 48 Q 7.89 3.79 0.00 2.25 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.79 0.00 0.00 0.00 0.00 0.00 2.33 2.39 0.00 49 I 7.32 4.19 1.98 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.58 0.90 0.00 0.00 50 N 9.10 4.74 0.00 2.94 3.05 0.00 0.00 7.07 7.68 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 51 W 8.50 4.51 0.00 3.64 3.31 0.00 0.00 0.00 0.00 0.00 0.00 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 T 6.74 3.19 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.09 0.00 0.00 53 V 8.00 3.53 1.91 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 0.74 0.00 0.00 0.58 0.00 0.00 54 L 6.48 3.59 0.00 1.23 1.43 0.84 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 55 Y 6.92 4.25 0.00 3.20 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 56 R 7.59 3.89 0.00 1.84 1.86 0.00 3.04 0.00 0.00 3.16 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.40 0.00