NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3427 8.3049 120.3269 55.4191 32.4225 171.2130 2 K 3.8942 8.2855 125.6794 54.7483 32.2849 173.8187 3 Q 4.4050 8.5821 123.8642 53.9927 31.3922 174.6631 4 R 4.0404 8.6187 126.5598 55.8214 29.7893 175.2764 5 I 4.3778 8.1967 119.8234 59.1828 38.9330 174.9581 6 T 4.4052 8.2222 119.1392 59.9469 70.0710 173.1099 7 V 4.1003 8.0897 122.1209 59.9301 32.4652 177.4202 8 T 4.3024 8.1654 118.6669 61.3754 67.7669 174.3177 9 V 4.2997 7.3617 122.7651 60.7541 30.9183 178.4784 10 D 5.3371 8.1488 135.0000 54.9841 39.5090 176.1079 11 S 4.6997 7.8968 112.8568 58.1478 63.9419 174.7371 12 D 4.6118 7.8756 119.3978 54.2800 39.3293 178.0992 13 S 3.5953 7.9558 116.8128 60.4766 62.9426 173.9436 14 Y 4.1723 8.4833 121.4482 61.0966 38.3189 178.0961 15 Q 2.7741 7.2709 116.5285 58.9930 28.3125 178.8206 16 L 3.7871 7.4337 121.7277 57.8807 42.2463 178.6073 17 L 3.4358 7.3640 118.9258 57.8367 41.4041 179.9446 18 K 3.8833 7.6642 117.4946 59.0588 32.7297 178.5387 19 A 4.0037 7.8430 121.9260 54.5199 18.2301 178.5937 20 Y 4.4349 7.6321 115.7106 57.5669 38.8129 176.4916 21 D 5.6136 6.3357 134.5222 54.2500 44.9613 178.0026 22 V 3.9486 6.3567 116.6864 61.2357 32.0590 172.3748 23 N 4.7676 8.2283 128.7779 55.6969 36.3036 174.6173 24 I 3.0509 7.7500 108.5264 61.7086 38.3073 176.8738 25 S 4.0705 8.7854 118.7175 62.3584 62.4240 176.9222 26 G 3.5894 7.9807 109.6075 46.4320 0.0000 175.1660 27 L 3.9900 7.7556 122.2078 58.4457 41.7001 178.3867 28 V 3.7326 8.3592 117.5718 66.9202 31.3476 177.9374 29 S 4.4134 8.0173 113.8034 62.1538 62.8552 177.3446 30 T 3.8791 8.1409 118.2254 67.0936 68.3108 176.8541 31 T 3.9243 8.8804 118.7469 66.8241 68.2824 176.4502 32 M 3.9941 9.2096 121.1218 58.6652 32.0784 178.3978 33 Q 3.7011 8.5476 119.8607 59.3331 29.0843 178.3675 34 N 4.2442 8.0099 117.5309 56.7785 38.6893 176.6160 35 E 4.2166 8.7919 120.1947 58.2380 29.4430 178.6616 36 A 4.0018 8.5985 121.6944 55.3825 18.6800 179.5223 37 R 3.9948 8.1784 115.3044 59.5003 30.3114 179.2577 38 R 3.9422 8.3377 116.7987 58.7288 30.4001 178.1842 39 L 3.7051 7.7151 117.0615 54.2126 41.1365 174.4263 40 R 3.9960 8.1197 111.9187 56.5902 31.9897 170.1254 41 A 3.3760 8.8660 133.9427 51.6360 15.0112 176.9702 42 E 4.0402 7.9066 120.6143 56.4280 30.5096 176.8315 43 R 4.0972 8.5796 116.2880 54.2285 31.0958 174.7447 44 W 5.0986 7.8719 121.4778 54.8151 32.7583 174.4114 45 K 4.3618 8.3945 116.6578 56.1765 34.1529 175.3269 46 V 4.0445 8.2362 118.6404 61.3675 32.9856 171.7898 47 E 4.4311 8.3002 124.2226 56.4939 31.6519 174.4701 48 N 5.0488 7.4447 116.8005 51.4379 42.2182 175.6169 49 Q 4.1717 8.5904 123.7957 56.8484 27.5908 178.5106 50 E 2.8938 9.3965 122.7798 56.2335 31.2275 176.6885 51 G 3.8065 6.6837 101.7909 45.6586 0.0000 174.0955 52 M 3.6141 8.5698 124.1785 55.9933 31.6610 177.5678 53 V 3.8260 7.5315 110.2302 60.8900 32.5631 175.3313 54 E 4.3115 7.7574 120.1443 55.3088 31.9597 173.7558 55 V 4.1304 7.4950 108.8420 62.3929 38.9410 172.0263 56 A 3.7724 7.5751 134.7366 52.1940 15.8728 176.8799 57 R 4.4111 8.8729 120.7824 57.9584 31.7199 176.4709 58 F 4.8161 7.5349 110.3454 56.3079 40.4841 172.9368 59 I 4.4992 8.4554 113.4697 60.3301 39.1547 173.9799 60 E 4.7667 8.6673 121.2777 57.5296 33.3953 174.9670 61 M 4.8943 7.6223 115.5598 53.8544 36.3392 173.9694 62 N 5.1414 8.6051 118.1251 51.3317 40.1388 174.4686 63 G 3.8613 8.7039 105.3145 46.2883 0.0000 173.4884 64 S 4.0712 9.2565 114.4220 58.0793 64.0590 170.2909 65 F 3.7156 8.9762 121.1705 58.4779 37.8875 177.8554 66 A 4.7898 9.1912 124.3148 51.4801 20.3877 175.4671 67 D 4.2462 8.1557 123.3000 53.1676 47.2278 177.8714 68 E 3.7822 8.6467 121.8905 54.7949 29.0399 174.3839 69 N 4.9019 8.0723 116.5893 51.9465 39.8422 173.3420 70 K 4.8616 8.4773 123.5853 54.5589 34.6318 175.1625 71 D 4.7653 8.5415 121.3882 51.8445 40.8535 176.8226 72 W 4.2067 8.3075 119.4066 56.8526 27.5291 174.2284 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 M 8.30 4.34 0.00 2.01 2.11 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.63 0.00 2 K 8.29 3.89 0.00 2.01 1.87 0.00 1.73 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.44 7.81 3 Q 8.58 4.40 0.00 1.97 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.08 0.00 0.00 0.00 0.00 0.00 2.23 2.30 0.00 4 R 8.62 4.04 0.00 1.80 1.84 0.00 3.23 0.00 0.00 3.26 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 5 I 8.20 4.38 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.79 0.94 0.00 0.00 6 T 8.22 4.41 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 1.17 0.00 0.00 7 V 8.09 4.10 2.02 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 0.67 0.00 0.00 0.84 0.00 0.00 8 T 8.17 4.30 4.20 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 1.16 0.00 0.00 9 V 7.36 4.30 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 0.78 0.00 0.00 0.91 0.00 0.00 10 D 8.15 5.34 0.00 2.91 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.90 4.70 0.00 3.87 3.82 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 0.00 0.00 0.00 12 D 7.88 4.61 0.00 2.83 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.96 3.60 0.00 4.10 3.97 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.48 4.17 0.00 2.98 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 15 Q 7.27 2.77 0.00 2.13 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.53 0.00 0.00 0.00 0.00 0.00 2.38 2.26 0.00 16 L 7.43 3.79 0.00 1.77 1.68 0.90 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 17 L 7.36 3.44 0.00 1.65 1.42 0.82 1.05 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 18 K 7.66 3.88 0.00 1.92 1.80 0.00 1.07 0.00 0.00 2.29 0.00 0.00 2.35 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.87 1.12 7.81 19 A 7.84 4.00 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 20 Y 7.63 4.43 0.00 3.02 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 21 D 6.34 5.61 0.00 3.14 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 6.36 3.95 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.00 0.00 0.41 0.00 0.00 23 N 8.23 4.77 0.00 2.74 2.84 0.00 0.00 6.97 7.29 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 24 I 7.75 3.05 1.87 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.71 0.95 0.00 0.00 25 S 8.79 4.07 0.00 3.88 4.11 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 26 G 7.98 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.76 3.99 0.00 1.78 1.75 1.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 28 V 8.36 3.73 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 0.98 0.00 0.00 0.96 0.00 0.00 29 S 8.02 4.41 0.00 3.77 3.95 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 0.00 0.00 0.00 30 T 8.14 3.88 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 31 T 8.88 3.92 4.41 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 1.25 0.00 0.00 32 M 9.21 3.99 0.00 2.04 2.22 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.87 0.00 33 Q 8.55 3.70 0.00 2.18 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.84 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 34 N 8.01 4.24 0.00 2.86 2.98 0.00 0.00 6.86 8.86 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 35 E 8.79 4.22 0.00 2.13 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 2.29 2.48 0.00 36 A 8.60 4.00 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 37 R 8.18 3.99 0.00 1.92 1.99 0.00 3.18 0.00 0.00 3.22 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 38 R 8.34 3.94 0.00 1.97 1.95 0.00 3.23 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 39 L 7.72 3.71 0.00 1.84 1.69 0.95 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 40 R 8.12 4.00 0.00 1.88 1.74 0.00 3.38 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.50 0.00 41 A 8.87 3.38 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 42 E 7.91 4.04 0.00 1.64 1.12 0.00 0.00 0.00 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 2.35 0.00 43 R 8.58 4.10 0.00 1.71 1.72 0.00 2.91 0.00 0.00 3.28 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.49 0.00 44 W 7.87 5.10 0.00 3.47 2.97 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.39 4.36 0.00 1.71 1.65 0.00 1.79 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.30 1.45 7.81 46 V 8.24 4.04 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 0.68 0.00 0.00 0.95 0.00 0.00 47 E 8.30 4.43 0.00 1.97 1.78 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 2.30 2.28 0.00 48 N 7.44 5.05 0.00 2.66 2.63 0.00 0.00 7.22 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 49 Q 8.59 4.17 0.00 2.15 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 5.85 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 50 E 9.40 2.89 0.00 2.26 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.29 0.00 51 G 6.68 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 0.00 0.00 0.00 52 M 8.57 3.61 0.00 2.18 2.27 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.62 0.00 53 V 7.53 3.83 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 0.85 0.00 0.00 1.03 0.00 0.00 54 E 7.76 4.31 0.00 1.16 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.74 0.00 55 V 7.49 4.13 2.03 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 0.63 0.00 0.00 1.02 0.00 0.00 56 A 7.58 3.77 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 57 R 8.87 4.41 0.00 1.66 2.15 0.00 3.25 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 58 F 7.53 4.82 0.00 3.10 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 59 I 8.46 4.50 1.95 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 1.37 0.65 0.97 0.00 0.00 60 E 8.67 4.77 0.00 2.06 1.99 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 2.25 2.41 0.00 61 M 7.62 4.89 0.00 1.89 1.92 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.49 0.00 62 N 8.61 5.14 0.00 2.80 2.80 0.00 0.00 5.80 7.02 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 63 G 8.70 3.86 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 0.00 0.00 0.00 64 S 9.26 4.07 0.00 3.98 4.08 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 65 F 8.98 3.72 0.00 3.32 2.80 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 0.00 0.00 0.00 66 A 9.19 4.79 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 67 D 8.16 4.25 0.00 2.31 1.55 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 68 E 8.65 3.78 0.00 2.11 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 0.00 2.26 2.38 0.00 69 N 8.07 4.90 0.00 2.74 2.76 0.00 0.00 6.85 6.78 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 70 K 8.48 4.86 0.00 2.03 2.08 0.00 1.81 0.00 0.00 1.85 0.00 0.00 2.76 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.43 1.49 7.81 71 D 8.54 4.77 0.00 2.38 2.48 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 72 W 8.31 4.21 0.00 3.62 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