NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8870 8.3544 109.7360 45.4155 0.0000 173.1646 2 S 4.2194 8.4915 120.3582 55.3398 64.5702 171.3467 3 S 4.6243 8.7205 121.9110 57.2306 65.7992 171.3569 4 G 3.6634 8.5808 112.1135 45.8187 0.0000 171.9937 5 S 4.4529 7.9252 116.4427 59.7705 65.7386 174.6005 6 S 4.6672 9.2709 115.1956 56.7458 64.7173 173.2513 7 G 4.3586 7.7315 108.2149 43.7315 0.0000 172.8123 8 A 4.6991 7.7365 121.8423 50.8710 19.5319 178.2447 9 L 3.9358 7.9609 123.1780 57.7882 42.2807 176.8573 10 E 4.6012 7.6912 112.4080 56.0800 31.1458 174.9299 11 N 4.6901 8.4991 119.3580 52.4163 42.6577 175.5959 12 L 4.3932 8.3139 124.5996 52.3661 40.3827 175.0934 13 Q 4.5303 7.4109 115.0854 55.0783 31.1033 174.5718 14 V 4.4889 8.3624 120.3483 61.2375 34.3136 174.2542 15 E 4.6936 8.5299 123.7301 55.1166 32.3458 173.6929 16 A 5.0232 8.1215 122.1393 50.7968 22.7199 174.9427 17 S 4.7529 8.4324 110.2272 57.3277 65.6107 174.3456 18 C 4.0554 8.5409 122.6098 60.5121 32.0879 174.3227 19 S 4.2982 7.8601 115.3582 59.8503 63.3723 176.1453 20 V 3.7406 7.2471 119.5598 65.4229 31.7761 176.4189 21 C 4.2244 7.9090 116.4513 58.5395 30.7769 173.2574 22 L 4.2087 7.6251 118.6993 54.9213 38.7468 173.3999 23 E 4.6905 7.5864 118.3406 54.7303 32.7218 174.4813 24 Y 4.7773 8.5516 126.4738 57.2539 39.3726 174.3371 25 L 4.4683 7.5199 125.7442 52.8503 45.0928 176.9145 26 K 4.0457 8.3768 119.1095 58.3446 32.6625 177.5362 27 E 4.5795 7.5054 117.3571 53.3020 30.0821 172.3831 28 P 4.3758 0.0000 0.0000 62.2949 32.5856 177.1705 29 V 3.7101 8.4039 122.7228 63.1608 31.9214 174.8359 30 I 4.6926 8.2411 130.4408 59.5308 36.2832 175.8758 31 I 3.9375 8.2013 121.6712 59.8576 38.5338 177.2285 32 E 3.9150 8.9021 118.0265 59.8836 29.0354 178.0078 33 C 4.0582 8.3240 118.2519 63.3040 31.6451 172.9684 34 G 3.6063 7.8079 109.6957 46.0596 0.0000 174.1989 35 H 4.0753 7.9470 116.2914 56.1665 29.2081 174.0341 36 N 4.6615 7.9404 118.5132 52.7230 40.3940 174.3148 37 F 5.1260 8.2965 120.4964 56.2502 43.9315 173.7866 38 C 4.6789 8.8825 118.1015 57.0848 31.7481 174.2806 39 K 3.8909 9.0518 120.9028 60.2077 31.3667 178.6768 40 A 4.0860 8.0846 118.8603 55.5625 18.4800 178.0898 41 C 4.3776 8.0912 114.6330 61.3355 28.6643 175.6561 42 I 3.6345 8.8324 120.9585 64.7517 37.5437 178.3996 43 T 4.0278 7.8080 115.5471 66.6758 68.4911 176.1315 44 R 4.0333 8.0329 119.6718 59.2987 29.9930 177.4990 45 W 4.4249 8.1389 125.9230 58.9306 31.6480 176.6200 46 W 4.8049 8.6005 128.3719 57.5932 30.3535 177.2500 47 E 3.8168 8.2484 117.6068 58.3034 29.5737 176.3339 48 D 4.7161 7.4157 117.0846 51.0805 41.7813 175.1525 49 L 4.4854 7.9613 117.3627 55.2215 41.9393 177.0734 50 E 4.3716 7.7006 115.9819 55.2048 29.5636 176.6927 51 R 4.0229 8.2293 117.5178 59.5771 29.4868 176.9460 52 D 4.6835 7.9038 119.9669 52.9028 39.5384 174.7310 53 F 4.7355 7.9765 122.7042 56.1341 42.3377 172.1860 54 P 4.3931 0.0000 0.0000 62.1090 31.9241 175.6446 55 C 4.1362 8.4057 120.1451 59.0718 32.1120 171.9910 56 P 4.0374 0.0000 0.0000 65.8634 31.1944 177.7967 57 V 3.6317 7.8167 117.5558 65.5707 31.6060 175.2588 58 C 4.2393 8.2404 119.8127 60.3281 27.9407 173.7708 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 G 8.35 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 2 S 8.49 4.22 0.00 3.85 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 3 S 8.72 4.62 0.00 3.83 3.72 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 4 G 8.58 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.93 4.45 0.00 3.80 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 6 S 9.27 4.67 0.00 3.82 3.74 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 7 G 7.73 4.36 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 0.00 8 A 7.74 4.70 1.24 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 0.00 0.00 9 L 7.96 3.94 0.00 1.60 1.71 0.91 0.94 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 10 E 7.69 4.60 0.00 2.04 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 2.07 2.22 0.00 11 N 8.50 4.69 0.00 2.67 2.70 0.00 0.00 7.17 7.84 0.00 0.00 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 L 8.31 4.39 0.00 1.61 1.63 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 13 Q 7.41 4.53 0.00 2.11 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.67 0.00 0.00 0.00 0.00 0.00 2.15 2.26 0.00 14 V 8.36 4.49 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 0.87 0.00 0.00 0.93 0.00 0.00 15 E 8.53 4.69 0.00 2.07 2.01 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 2.32 2.56 0.00 16 A 8.12 5.02 1.21 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 0.00 0.00 0.00 17 S 8.43 4.75 0.00 3.98 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 18 C 8.54 4.06 0.00 3.04 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 19 S 7.86 4.30 0.00 3.64 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 20 V 7.25 3.74 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 0.94 0.00 0.00 1.04 0.00 0.00 21 C 7.91 4.22 0.00 3.15 3.07 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.63 4.21 0.00 1.80 1.76 0.91 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 23 E 7.59 4.69 0.00 2.07 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.33 0.00 24 Y 8.55 4.78 0.00 2.97 2.89 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 25 L 7.52 4.47 0.00 1.48 1.38 0.92 0.87 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 K 8.38 4.05 0.00 1.65 1.79 0.00 1.67 0.00 0.00 1.75 0.00 0.00 2.97 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.22 1.34 7.81 27 E 7.51 4.58 0.00 1.86 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.19 0.00 28 P 0.00 4.38 0.00 2.03 2.00 0.00 3.73 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.92 0.00 29 V 8.40 3.71 2.35 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 1.01 0.00 0.00 0.99 0.00 0.00 30 I 8.24 4.69 1.87 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.94 0.96 0.00 0.00 31 I 8.20 3.94 1.87 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.10 0.88 0.00 0.00 32 E 8.90 3.91 0.00 2.08 2.14 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 2.29 2.33 0.00 33 C 8.32 4.06 0.00 2.96 3.08 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 34 G 7.81 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.95 4.08 0.00 3.18 2.64 0.00 5.71 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 N 7.94 4.66 0.00 2.54 2.59 0.00 0.00 6.59 8.07 0.00 0.00 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 F 8.30 5.13 0.00 2.96 2.88 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 38 C 8.88 4.68 0.00 3.03 3.08 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 39 K 9.05 3.89 0.00 1.95 1.93 0.00 1.70 0.00 0.00 1.92 0.00 0.00 3.24 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.57 1.69 7.81 40 A 8.08 4.09 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 41 C 8.09 4.38 0.00 3.27 3.06 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 0.00 0.00 0.00 0.00 42 I 8.83 3.63 2.05 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 1.17 0.00 0.00 43 T 7.81 4.03 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 44 R 8.03 4.03 0.00 1.85 2.28 0.00 3.35 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 1.80 1.91 0.00 45 W 8.14 4.42 0.00 3.36 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 46 W 8.60 4.80 0.00 3.22 3.41 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.25 3.82 0.00 1.97 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.10 0.00 48 D 7.42 4.72 0.00 2.66 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.96 4.49 0.00 1.66 1.76 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 50 E 7.70 4.37 0.00 1.85 1.76 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 1.64 2.40 0.00 51 R 8.23 4.02 0.00 1.97 2.15 0.00 3.11 0.00 0.00 3.27 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.73 0.00 52 D 7.90 4.68 0.00 2.74 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 53 F 7.98 4.74 0.00 3.09 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 54 P 0.00 4.39 0.00 2.05 1.87 0.00 2.20 0.00 0.00 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.54 0.00 55 C 8.41 4.14 0.00 2.97 2.89 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 56 P 0.00 4.04 0.00 1.39 0.49 0.00 3.57 0.00 0.00 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.07 0.00 57 V 7.82 3.63 2.24 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 0.63 0.00 0.00 1.11 0.00 0.00 58 C 8.24 4.24 0.00 3.01 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00