NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2756 8.2493 123.5826 51.9692 19.5452 176.1280 3 K 3.9079 8.4553 121.1674 56.7479 34.0308 171.8123 4 H 3.7642 9.0065 114.2041 59.1401 30.0129 174.5917 5 P 4.7728 0.0000 0.0000 61.8928 33.0342 175.7679 6 V 4.5022 7.7840 119.0026 60.5105 34.4912 172.5068 7 P 4.3807 0.0000 0.0000 62.8335 31.8449 176.4278 8 K 4.0863 8.7131 122.6942 58.8768 32.5044 177.0583 9 K 4.5945 7.5704 115.7987 53.6341 35.2747 175.9577 10 K 3.8106 8.8152 123.9910 56.7643 32.3755 176.4533 11 T 3.9399 8.4448 116.9767 61.7104 69.2974 174.8389 12 S 4.4695 8.4096 120.0584 57.5898 65.6048 175.2567 13 K 3.6013 8.6057 121.1936 59.5898 31.6484 179.2024 14 A 3.9227 7.9268 120.4445 55.4047 18.2123 179.5692 15 R 3.8516 7.4628 114.5144 59.1749 30.4949 178.3829 16 R 4.0252 8.7546 119.7530 59.7403 30.1456 178.3530 17 D 4.3137 8.1153 118.2942 57.1841 40.6357 178.3129 18 A 3.9825 7.7455 120.4661 55.4758 18.2659 179.2747 19 R 4.0771 7.6475 115.4749 58.7661 30.4057 177.7854 20 R 3.8555 7.6753 116.7497 56.0914 29.8607 178.2437 21 S 4.1079 7.9669 114.6119 60.7459 63.2203 174.5292 22 H 4.7765 8.0238 116.0245 55.9599 28.9295 174.9592 23 H 4.3523 8.2827 116.8093 56.5998 28.8509 175.0014 24 A 3.9131 8.0853 122.2994 52.2231 18.0938 177.4200 25 L 4.0827 8.4677 122.4247 55.5815 42.3254 176.8135 26 T 4.4703 8.1108 115.0856 59.3765 68.8587 172.1149 27 P 4.2314 0.0000 0.0000 62.2195 31.8364 174.4305 28 P 4.4078 0.0000 0.0000 63.1727 31.7681 176.1168 29 T 4.4649 8.1707 109.2959 60.0954 69.1108 173.1981 30 L 4.9932 8.2022 127.2164 53.6818 45.1779 175.7107 31 V 4.5580 8.9036 111.8138 59.3437 36.4691 172.6985 32 P 4.6287 0.0000 0.0000 63.2613 31.9969 176.0052 33 C 4.3809 9.0515 125.6810 57.4207 31.4871 171.4283 34 P 4.0814 0.0000 0.0000 64.4657 31.0925 174.7289 35 E 3.4587 8.3378 122.9396 54.7413 25.5508 172.1341 36 C 3.9865 8.4536 113.9212 57.8752 29.1901 175.2693 37 K 3.8261 8.8003 124.2444 59.4580 32.3234 176.8250 38 A 4.0697 7.2197 119.6364 52.2874 19.8044 176.2670 39 M 4.8784 8.4919 119.1978 53.7376 33.5913 175.7889 40 K 4.8636 8.8064 122.2936 54.2880 36.9383 173.7567 41 P 5.0201 0.0000 0.0000 61.4286 32.9860 173.7259 42 P 4.2415 0.0000 0.0000 64.2946 31.8091 175.3226 43 H 4.0982 8.6553 116.8459 57.5972 25.6994 174.6811 44 T 4.6978 7.2809 115.3198 62.1763 71.0096 175.6731 45 V 4.7848 7.7850 119.9811 61.7962 31.1944 173.2981 46 C 4.4507 7.9952 123.6207 57.6272 32.9516 172.7254 47 P 5.1305 0.0000 0.0000 62.0969 30.3755 176.9353 48 E 4.6903 7.6014 113.5528 55.1807 30.7566 174.5181 49 C 4.6702 9.6541 116.9783 56.9749 31.0645 176.0170 50 G 3.9210 7.5779 113.4117 46.5929 0.0000 175.6765 51 Y 4.4292 8.3417 126.5582 58.0101 42.9816 170.8655 52 Y 5.1828 9.4346 117.8995 54.8428 37.2322 175.9540 53 A 5.4214 8.6721 133.3535 51.7815 20.9990 176.7554 54 G 3.9953 7.9807 105.1469 47.0680 0.0000 174.6280 55 R 4.2774 8.5072 120.0042 56.7488 30.3248 175.4293 56 K 4.1277 9.4682 128.9337 57.2343 35.3100 175.6668 57 V 2.9081 7.6861 113.5949 63.4811 31.1543 173.5760 58 L 4.9011 7.9122 135.0000 55.2556 43.8816 174.1911 59 E 4.2058 8.0893 116.7558 56.9657 29.8727 176.9615 60 V 3.8477 8.2177 118.5894 63.7956 31.6150 176.3058 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 A 8.25 4.28 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 3 K 8.46 3.91 0.00 1.99 1.86 0.00 1.78 0.00 0.00 1.73 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.17 1.64 7.81 4 H 9.01 3.76 0.00 3.16 3.27 0.00 5.71 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 P 0.00 4.77 0.00 2.04 1.97 0.00 3.70 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.05 0.00 6 V 7.78 4.50 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 0.78 0.00 0.00 1.00 0.00 0.00 7 P 0.00 4.38 0.00 2.22 2.04 0.00 3.82 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 8 K 8.71 4.09 0.00 1.72 1.87 0.00 1.60 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.52 7.81 9 K 7.57 4.59 0.00 1.73 1.65 0.00 1.84 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.32 1.32 7.81 10 K 8.82 3.81 0.00 1.71 1.75 0.00 1.78 0.00 0.00 1.76 0.00 0.00 2.94 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.45 7.81 11 T 8.44 3.94 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 12 S 8.41 4.47 0.00 4.07 4.04 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 0.00 0.00 0.00 0.00 13 K 8.61 3.60 0.00 1.81 1.91 0.00 1.67 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.53 1.52 7.81 14 A 7.93 3.92 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 15 R 7.46 3.85 0.00 1.86 1.97 0.00 3.28 0.00 0.00 3.15 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 16 R 8.75 4.03 0.00 1.84 1.99 0.00 3.14 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 17 D 8.12 4.31 0.00 2.85 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 18 A 7.75 3.98 1.44 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 0.00 0.00 19 R 7.65 4.08 0.00 1.81 2.07 0.00 3.26 0.00 0.00 3.24 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 20 R 7.68 3.86 0.00 1.97 1.79 0.00 3.26 0.00 0.00 3.20 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.45 0.00 21 S 7.97 4.11 0.00 3.89 3.96 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 22 H 8.02 4.78 0.00 3.20 3.39 0.00 5.70 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 H 8.28 4.35 0.00 3.25 3.37 0.00 5.89 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 24 A 8.09 3.91 1.26 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 0.00 0.00 0.00 25 L 8.47 4.08 0.00 1.65 1.63 0.92 0.85 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 26 T 8.11 4.47 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 1.21 0.00 0.00 27 P 0.00 4.23 0.00 2.08 2.00 0.00 3.74 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 28 P 0.00 4.41 0.00 2.18 2.08 0.00 3.71 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 29 T 8.17 4.46 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 30 L 8.20 4.99 0.00 1.52 1.70 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 31 V 8.90 4.56 2.06 0.00 0.00 0.00 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 0.93 0.00 0.00 32 P 0.00 4.63 0.00 1.90 1.97 0.00 3.65 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 33 C 9.05 4.38 0.00 2.90 3.11 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 0.00 0.00 0.00 0.00 34 P 0.00 4.08 0.00 2.11 1.99 0.00 3.72 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.88 0.00 35 E 8.34 3.46 0.00 2.06 2.13 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 2.07 2.10 0.00 36 C 8.45 3.99 0.00 3.14 3.48 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.80 3.83 0.00 1.87 2.00 0.00 1.61 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.45 7.81 38 A 7.22 4.07 1.33 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 0.00 0.00 0.00 39 M 8.49 4.88 0.00 1.90 2.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.45 0.00 40 K 8.81 4.86 0.00 1.79 1.84 0.00 1.23 0.00 0.00 1.69 0.00 0.00 2.87 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.27 1.34 7.81 41 P 0.00 5.02 0.00 2.16 2.22 0.00 3.73 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.98 0.00 42 P 0.00 4.24 0.00 2.14 2.10 0.00 4.05 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.06 0.00 43 H 8.66 4.10 0.00 3.39 3.54 0.00 5.66 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 T 7.28 4.70 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 45 V 7.78 4.78 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.95 0.00 0.00 46 C 8.00 4.45 0.00 3.02 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 47 P 0.00 5.13 0.00 2.23 2.13 0.00 3.85 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 48 E 7.60 4.69 0.00 1.93 1.90 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 2.22 2.30 0.00 49 C 9.65 4.67 0.00 3.17 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 50 G 7.58 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 0.00 0.00 0.00 51 Y 8.34 4.43 0.00 2.92 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 52 Y 9.43 5.18 0.00 2.99 3.02 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 0.00 0.00 0.00 0.00 53 A 8.67 5.42 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 54 G 7.98 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 0.00 0.00 0.00 55 R 8.51 4.28 0.00 1.75 1.85 0.00 3.48 0.00 0.00 3.14 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.51 0.00 56 K 9.47 4.13 0.00 1.88 1.74 0.00 1.77 0.00 0.00 1.65 0.00 0.00 3.06 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.23 1.23 7.81 57 V 7.69 2.91 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 0.80 0.00 0.00 0.93 0.00 0.00 58 L 7.91 4.90 0.00 1.64 1.63 0.93 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 59 E 8.09 4.21 0.00 2.00 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 2.32 2.31 0.00 60 V 8.22 3.85 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 0.76 0.00 0.00 0.93 0.00 0.00