NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3184 8.2649 123.5820 51.6365 20.4699 176.4523 2 V 4.3799 7.2166 105.1451 57.1995 35.8229 173.1310 3 Q 3.7538 8.4889 117.7497 56.9119 29.2262 176.9934 4 Q 4.3747 8.6104 121.8595 56.1260 29.9870 174.5707 5 N 4.9356 7.6400 114.7121 51.8410 42.0577 173.4837 6 K 3.9608 8.6384 126.6694 55.6796 32.6945 174.7085 7 P 4.3347 0.0000 0.0000 63.2099 31.5211 174.3607 8 T 4.6509 8.0273 108.9031 60.1545 71.4380 174.8842 9 R 3.9907 8.3118 116.6974 58.9275 29.7907 178.4184 10 S 4.0382 7.9077 113.3555 61.1927 62.5930 175.9728 11 K 3.9453 8.6509 122.6073 59.3013 31.6390 178.6975 12 R 4.0019 7.4302 118.5064 59.1242 30.2596 178.5370 13 G 3.7145 8.0673 105.5002 48.2661 0.0000 175.3433 14 M 4.1042 8.1582 122.0483 58.2482 31.7841 178.6841 15 R 4.0897 7.9094 116.7473 57.9559 30.5982 177.4615 16 R 5.0333 8.4780 118.1993 55.1891 30.1924 177.6636 17 S 4.0775 7.6207 114.8635 61.8060 62.9134 175.5953 18 H 4.6646 8.2375 115.0724 56.0382 28.6362 175.1033 19 D 4.6351 8.6536 119.2008 53.6265 41.0796 175.8330 20 A 4.1686 7.4309 122.4305 52.4312 18.6611 179.0240 21 L 4.3284 8.2242 124.3502 55.1798 42.2438 176.2571 22 T 4.5533 8.0085 112.0705 61.1246 70.4558 174.2285 23 A 4.4219 8.2863 128.9571 51.4716 20.1134 177.2945 24 V 3.8763 8.2315 117.2186 63.5097 32.7478 175.5715 25 T 3.0582 7.7515 112.8462 64.6572 63.8602 170.7721 26 S 3.5971 7.7892 118.6064 58.4231 62.7620 171.6517 27 L 4.9795 8.0143 119.1641 53.3602 45.5698 176.6195 28 S 4.9645 8.2053 115.0884 58.1017 66.3995 172.8555 29 V 4.7757 8.0097 116.9368 61.5297 32.9749 173.4655 30 D 4.4359 8.7437 124.2404 54.0699 41.8174 176.6638 31 K 3.9241 8.9539 126.2271 60.0909 31.6497 177.4861 32 T 3.7461 7.5500 112.0474 67.0429 69.8420 177.2617 33 S 4.7745 6.6297 122.7510 57.9786 61.5743 176.3605 34 G 4.0340 8.3379 114.8549 46.6320 0.0000 172.0322 35 E 4.5046 7.9342 120.0842 54.8772 31.2831 175.6703 36 K 5.4205 8.8532 123.7588 56.1439 33.7964 175.8098 37 H 5.1459 8.8995 119.6396 53.0440 32.2379 172.5373 38 L 4.0807 8.7082 119.9838 54.9404 42.3481 176.5420 39 R 3.6188 8.3850 123.1452 57.7058 30.3888 175.5969 40 H 4.4162 9.4418 119.7084 56.3382 25.8275 173.5716 41 H 4.8111 7.6728 113.3982 53.8463 31.6596 172.4325 42 I 3.7697 7.7196 120.3637 60.3458 37.3614 176.5125 43 T 4.1817 8.2995 115.3017 60.9811 69.4703 175.1614 44 A 4.0856 8.4480 123.6096 54.3403 18.4767 178.0319 45 D 5.0183 7.3346 113.1852 53.1785 41.9533 177.1843 46 G 3.9794 7.7997 106.6111 45.3743 0.0000 173.4181 47 Y 4.5415 8.0512 117.6229 57.5925 38.2929 173.6108 48 Y 5.2762 7.8895 120.7121 57.8686 43.2372 176.1295 49 R 4.6558 7.8166 122.0946 56.0271 30.4542 174.7183 50 G 4.0300 9.2787 117.2841 46.6626 0.0000 171.4992 51 R 4.6472 7.7543 116.6515 54.1935 34.2657 173.9341 52 K 4.3186 8.6077 122.9341 55.5860 34.6996 173.7515 53 V 3.9921 8.0576 119.0394 62.7707 33.3900 177.7129 54 I 3.0668 8.8721 113.7929 64.0013 38.2319 177.7705 55 A 5.0104 9.1090 130.6312 53.2552 19.1851 177.9785 56 K 4.1420 7.3281 119.0803 56.8213 32.1104 177.1361 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 4.32 1.31 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 0.00 0.00 2 V 7.22 4.38 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 0.77 0.00 0.00 0.93 0.00 0.00 3 Q 8.49 3.75 0.00 2.15 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.85 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 4 Q 8.61 4.37 0.00 2.02 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.71 0.00 0.00 0.00 0.00 0.00 2.27 2.32 0.00 5 N 7.64 4.94 0.00 2.64 2.60 0.00 0.00 6.97 6.68 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 6 K 8.64 3.96 0.00 1.75 1.71 0.00 1.85 0.00 0.00 1.70 0.00 0.00 2.78 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.46 7.81 7 P 0.00 4.33 0.00 2.07 2.03 0.00 3.69 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 8 T 8.03 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 9 R 8.31 3.99 0.00 2.06 2.22 0.00 2.97 0.00 0.00 3.26 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 10 S 7.91 4.04 0.00 3.91 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 11 K 8.65 3.95 0.00 1.85 1.79 0.00 1.58 0.00 0.00 1.57 0.00 0.00 2.98 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.49 7.81 12 R 7.43 4.00 0.00 1.78 2.09 0.00 3.32 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 1.64 1.65 0.00 13 G 8.07 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.16 4.10 0.00 2.07 2.30 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 2.76 2.58 0.00 15 R 7.91 4.09 0.00 1.84 2.20 0.00 3.23 0.00 0.00 3.22 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 16 R 8.48 5.03 0.00 1.92 2.01 0.00 3.28 0.00 0.00 3.32 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.73 0.00 17 S 7.62 4.08 0.00 4.03 4.17 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 18 H 8.24 4.66 0.00 3.15 3.37 0.00 5.68 0.00 0.00 0.00 0.00 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 D 8.65 4.64 0.00 2.79 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 20 A 7.43 4.17 1.29 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 0.00 0.00 0.00 21 L 8.22 4.33 0.00 1.65 1.68 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 22 T 8.01 4.55 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 23 A 8.29 4.42 1.25 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 0.00 0.00 24 V 8.23 3.88 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 25 T 7.75 3.06 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 7.79 3.60 0.00 3.99 3.85 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 27 L 8.01 4.98 0.00 1.50 1.76 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 28 S 8.21 4.96 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 29 V 8.01 4.78 2.10 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 0.83 0.00 0.00 0.90 0.00 0.00 30 D 8.74 4.44 0.00 2.79 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 8.95 3.92 0.00 1.78 1.90 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.50 7.81 32 T 7.55 3.75 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 33 S 6.63 4.77 0.00 3.31 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 8.34 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 0.00 0.00 0.00 35 E 7.93 4.50 0.00 1.91 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 2.21 0.00 36 K 8.85 5.42 0.00 1.79 1.85 0.00 1.14 0.00 0.00 2.43 0.00 0.00 2.99 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.29 7.81 37 H 8.90 5.15 0.00 3.31 3.43 0.00 5.47 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 38 L 8.71 4.08 0.00 1.06 1.46 0.97 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 39 R 8.39 3.62 0.00 1.73 1.90 0.00 3.12 0.00 0.00 3.87 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 40 H 9.44 4.42 0.00 3.37 3.53 0.00 5.90 0.00 0.00 0.00 0.00 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 H 7.67 4.81 0.00 3.10 3.20 0.00 5.74 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 I 7.72 3.77 1.64 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.63 0.80 0.00 0.00 43 T 8.30 4.18 4.28 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 1.19 0.00 0.00 44 A 8.45 4.09 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.33 5.02 0.00 3.05 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 46 G 7.80 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 47 Y 8.05 4.54 0.00 3.16 3.27 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 48 Y 7.89 5.28 0.00 2.79 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 R 7.82 4.66 0.00 1.75 1.65 0.00 2.44 0.00 0.00 2.56 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 1.33 0.00 50 G 9.28 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 0.00 0.00 0.00 51 R 7.75 4.65 0.00 1.90 1.82 0.00 3.00 0.00 0.00 3.29 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.80 0.00 52 K 8.61 4.32 0.00 1.63 1.56 0.00 1.55 0.00 0.00 1.44 0.00 0.00 2.65 0.00 0.00 3.03 0.00 0.00 0.00 0.00 0.44 0.68 7.81 53 V 8.06 3.99 2.04 0.00 0.00 0.00 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 0.94 0.00 0.00 54 I 8.87 3.07 1.82 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.42 0.87 0.00 0.00 55 A 9.11 5.01 1.29 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 0.00 0.00 0.00 56 K 7.33 4.14 0.00 1.78 1.72 0.00 1.71 0.00 0.00 1.84 0.00 0.00 3.16 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.51 1.37 7.81