NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 R 4.3097 8.2393 120.8612 56.0950 31.2249 174.4679 9 E 4.6729 8.6951 122.6617 54.1154 32.2080 174.4714 10 C 5.0831 8.6527 117.3479 55.2973 44.5441 175.4695 11 C 4.6835 8.4380 123.7705 55.0868 43.4826 173.3015 12 L 4.0635 8.7302 128.3987 57.4913 41.4588 177.2733 13 E 4.5820 7.3901 111.5027 55.2017 31.4726 174.8675 14 Y 4.7803 8.1443 118.0710 58.0454 38.5698 176.0059 15 F 4.5700 9.2094 125.6906 58.4551 40.5330 174.2177 16 K 4.2766 7.5547 124.2588 55.0987 34.5522 174.4474 17 G 3.5092 8.6697 111.8339 44.1133 0.0000 172.1540 18 A 4.6279 8.2818 121.5064 50.4889 20.3912 176.3039 19 I 4.4355 7.9625 121.1101 58.0330 40.2304 173.7038 20 P 4.2159 0.0000 0.0000 62.7632 31.9578 177.1337 21 L 3.7438 8.5253 122.8344 57.7507 41.6099 179.6030 22 R 3.9983 7.8302 113.3607 58.3007 29.4433 177.2524 23 K 4.2642 7.9552 117.4057 56.6875 32.7310 175.9913 24 L 4.6120 7.7307 120.3105 53.9258 42.5080 175.8199 25 K 4.4118 8.9874 125.4838 58.3944 33.3440 175.6266 26 T 4.9805 7.6590 111.9885 61.1980 71.0678 171.2181 27 W 5.9890 8.4664 118.5969 55.6293 31.5898 173.1894 28 Y 4.1946 8.5174 118.0467 56.1954 41.5039 172.9911 29 Q 4.9582 8.4177 119.5941 53.8969 31.6564 174.0704 30 T 4.7728 8.7002 122.0862 61.8359 71.5485 173.5935 31 S 5.0853 8.1642 117.2120 57.0524 66.0311 174.1791 32 E 4.2118 8.7260 113.5126 56.6957 27.9334 173.7034 33 D 4.6259 8.1875 120.3621 55.9140 41.5678 176.1048 34 C 4.0577 9.0907 117.8384 55.2465 36.7095 175.1376 35 S 3.8853 8.0894 115.3702 59.4745 62.9182 175.5766 36 R 3.6372 8.3974 117.3198 56.4654 27.1861 175.2381 37 D 4.6853 8.4449 113.9608 53.8671 38.8068 174.0054 38 A 4.4390 7.8118 119.3896 52.0680 20.0741 177.8544 39 I 4.1919 8.2577 122.2101 60.9531 38.6004 175.3121 40 V 4.3240 8.3911 128.5474 61.1012 32.8193 174.6506 41 F 5.1710 8.5114 128.0234 57.0949 40.5319 174.9410 42 V 4.9377 8.9666 123.9900 61.4698 33.5902 175.5183 43 T 4.8457 8.8441 118.8398 60.6876 70.3312 176.1564 44 V 3.6389 8.5925 122.2462 66.0215 31.5324 176.8758 45 Q 4.1924 8.0258 115.8603 56.1923 28.8309 176.0818 46 G 3.8727 8.1614 106.2918 46.1128 0.0000 173.7496 47 R 4.5761 7.9453 117.4939 54.1269 32.2350 175.0251 48 A 5.2505 8.3050 121.3367 50.4006 21.7270 176.4619 49 I 4.4328 9.0513 122.2908 59.4338 40.1757 172.4267 50 C 5.0778 8.7223 122.6516 55.1291 41.6089 172.8893 51 S 5.0823 8.8931 116.6746 56.5540 67.7460 173.0666 52 D 3.3700 8.2923 122.5391 53.1480 40.9078 175.3956 53 P 4.2225 0.0000 0.0000 65.0701 31.5079 176.7999 54 N 4.5755 7.9857 114.9119 53.5809 39.2771 175.3265 55 N 4.5215 7.6838 118.0306 52.9025 40.8152 175.6131 56 K 3.9454 8.5246 126.9947 59.5734 32.3449 179.5163 57 R 3.8661 8.0181 118.5037 59.3095 30.0406 178.4647 58 V 3.7461 8.0650 117.9603 66.2106 31.6089 178.2458 59 K 3.9324 8.1447 118.1232 59.4812 31.8633 179.1661 60 N 4.3530 8.8023 116.9597 56.1248 38.3703 177.3306 61 A 4.0169 8.0101 122.4328 54.8673 18.3864 179.7945 62 V 3.2437 7.9153 116.8500 65.9741 31.4320 178.3573 63 K 3.8945 8.0136 118.1813 59.4977 31.8483 178.4262 64 Y 4.1859 8.0984 119.6927 60.9595 38.7394 178.3772 65 L 3.7664 8.1524 119.6267 57.8916 41.5906 179.5338 66 Q 4.1505 8.5118 118.3529 59.2360 28.3375 179.0971 67 S 4.1873 8.4903 116.3501 60.9529 62.6859 176.4178 68 L 3.8987 7.6101 122.8035 57.9793 41.8205 178.2743 69 E 3.9296 7.6508 117.9962 57.3969 29.6202 176.7198 70 R 4.5930 7.4861 121.1219 57.4913 30.5934 175.6414 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 8 R 8.24 4.31 0.00 1.79 1.92 0.00 3.15 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.64 0.00 9 E 8.70 4.67 0.00 2.22 1.93 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 2.23 2.46 0.00 10 C 8.65 5.08 0.00 2.94 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 11 C 8.44 4.68 0.00 3.00 3.14 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 0.00 0.00 0.00 12 L 8.73 4.06 0.00 1.69 1.73 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 13 E 7.39 4.58 0.00 1.94 1.81 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 2.11 2.27 0.00 14 Y 8.14 4.78 0.00 2.93 2.84 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 0.00 0.00 0.00 0.00 15 F 9.21 4.57 0.00 3.17 3.10 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 0.00 0.00 0.00 0.00 16 K 7.55 4.28 0.00 1.60 1.37 0.00 1.76 0.00 0.00 1.59 0.00 0.00 2.88 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.25 1.26 7.81 17 G 8.67 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.28 4.63 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 19 I 7.96 4.44 1.76 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 1.29 1.04 0.57 0.00 0.00 20 P 0.00 4.22 0.00 2.16 1.92 0.00 3.64 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.10 0.00 21 L 8.53 3.74 0.00 1.28 0.80 0.33 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 22 R 7.83 4.00 0.00 1.91 2.04 0.00 3.01 0.00 0.00 3.20 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.64 0.00 23 K 7.96 4.26 0.00 1.96 1.85 0.00 1.63 0.00 0.00 1.79 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.37 7.81 24 L 7.73 4.61 0.00 1.86 1.71 0.60 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 25 K 8.99 4.41 0.00 1.81 2.10 0.00 1.85 0.00 0.00 1.67 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.41 7.81 26 T 7.66 4.98 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 1.28 0.00 0.00 27 W 8.47 5.99 0.00 3.24 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 28 Y 8.52 4.19 0.00 2.84 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 29 Q 8.42 4.96 0.00 2.27 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.84 0.00 0.00 0.00 0.00 0.00 2.30 2.50 0.00 30 T 8.70 4.77 4.45 0.00 0.00 0.00 0.00 0.00 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 31 S 8.16 5.09 0.00 4.03 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 32 E 8.73 4.21 0.00 2.22 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 33 D 8.19 4.63 0.00 2.65 2.61 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 34 C 9.09 4.06 0.00 3.25 3.58 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 35 S 8.09 3.89 0.00 4.18 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 0.00 36 R 8.40 3.64 0.00 1.99 1.92 0.00 3.05 0.00 0.00 2.33 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.51 0.00 37 D 8.44 4.69 0.00 2.88 2.76 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 0.00 0.00 0.00 38 A 7.81 4.44 1.40 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 0.00 0.00 0.00 39 I 8.26 4.19 1.53 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.82 0.09 0.00 0.00 40 V 8.39 4.32 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.50 0.00 0.00 41 F 8.51 5.17 0.00 3.11 2.91 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 0.00 0.00 0.00 0.00 42 V 8.97 4.94 2.21 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 1.19 0.00 0.00 1.15 0.00 0.00 43 T 8.84 4.85 4.33 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 1.19 0.00 0.00 44 V 8.59 3.64 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 0.97 0.00 0.00 45 Q 8.03 4.19 0.00 2.07 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.10 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 46 G 8.16 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 0.00 0.00 0.00 47 R 7.95 4.58 0.00 1.89 1.84 0.00 3.09 0.00 0.00 3.18 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.56 0.00 48 A 8.30 5.25 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 49 I 9.05 4.43 1.79 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.85 0.19 0.00 0.00 50 C 8.72 5.08 0.00 3.04 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 51 S 8.89 5.08 0.00 3.79 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 52 D 8.29 3.37 0.00 1.96 2.26 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 53 P 0.00 4.22 0.00 2.16 2.19 0.00 3.33 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.16 0.00 54 N 7.99 4.58 0.00 2.82 2.86 0.00 0.00 6.93 7.67 0.00 0.00 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 N 7.68 4.52 0.00 2.67 2.75 0.00 0.00 7.10 7.77 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 56 K 8.52 3.95 0.00 1.82 1.82 0.00 1.71 0.00 0.00 1.73 0.00 0.00 2.86 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.51 1.47 7.81 57 R 8.02 3.87 0.00 1.90 2.14 0.00 3.19 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 1.69 1.73 0.00 58 V 8.06 3.75 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 1.06 0.00 0.00 59 K 8.14 3.93 0.00 1.94 1.77 0.00 1.82 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.38 1.49 7.81 60 N 8.80 4.35 0.00 2.77 2.84 0.00 0.00 6.89 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 A 8.01 4.02 1.10 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 0.00 0.00 0.00 0.00 0.00 0.00 62 V 7.92 3.24 1.84 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 -0.15 0.00 0.00 0.30 0.00 0.00 63 K 8.01 3.89 0.00 1.98 1.85 0.00 1.79 0.00 0.00 1.56 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 64 Y 8.10 4.19 0.00 3.03 3.14 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 0.00 0.00 0.00 65 L 8.15 3.77 0.00 2.04 1.98 1.35 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 66 Q 8.51 4.15 0.00 2.30 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.82 0.00 0.00 0.00 0.00 0.00 2.64 2.68 0.00 67 S 8.49 4.19 0.00 3.81 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 68 L 7.61 3.90 0.00 1.31 1.59 0.76 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 69 E 7.65 3.93 0.00 2.14 2.20 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 2.35 2.40 0.00 70 R 7.49 4.59 0.00 1.95 2.10 0.00 3.37 0.00 0.00 3.11 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.66 0.00