NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9013 8.3544 109.7364 45.6229 0.0000 173.6025 2 S 4.1013 8.5072 119.1365 56.8767 63.0880 172.4667 3 S 4.2106 8.7249 122.1992 59.1616 62.6182 173.4514 4 G 4.2530 8.1087 112.5201 44.0857 0.0000 170.1806 5 S 4.5430 8.5230 114.7573 59.8884 64.4710 175.1388 6 S 4.5071 7.8850 114.3914 57.1384 64.6907 174.8658 7 G 4.1188 7.6417 111.4720 47.0154 0.0000 173.0581 8 S 4.5572 8.4883 123.4420 57.4373 64.3681 172.6875 9 L 4.6902 8.0980 120.5925 53.2356 43.3019 176.2154 10 R 4.6215 8.1343 122.0273 53.8298 32.0270 176.0863 11 K 4.0582 8.4563 123.1337 57.1877 33.3792 176.1444 12 E 4.5499 8.5344 115.4646 55.6806 32.3122 176.1591 13 R 3.8071 8.7315 127.6633 59.6817 30.3097 177.6687 14 A 3.9882 8.2905 118.7915 55.5527 18.3753 178.4707 15 R 3.9821 7.8723 113.1066 58.7944 30.2437 178.1537 16 S 3.7164 7.7970 110.4477 59.5492 60.8727 173.9385 17 A 4.0964 8.3839 123.3482 55.1285 18.5088 179.4076 18 E 4.5819 7.6470 117.3182 54.2734 28.9810 175.7507 19 E 4.1434 8.0888 121.6055 55.0709 30.4548 175.2270 20 P 4.7412 0.0000 0.0000 62.4602 32.4177 175.2164 21 W 4.6024 8.6499 118.1562 54.8996 30.8207 176.2910 22 T 4.3046 8.4435 114.0260 60.8353 69.0674 175.4507 23 Q 3.9479 8.8228 121.6962 60.3888 28.2121 179.1871 24 N 4.4693 8.2210 117.9902 55.6083 38.6202 176.9373 25 Q 4.0010 8.0816 118.5990 59.6595 28.9060 179.3252 26 Q 4.2779 8.6419 120.1529 59.2720 28.9128 178.3967 27 K 4.2682 7.8393 119.5797 59.1899 32.3167 178.4457 28 L 4.0062 8.6278 119.4907 58.3223 41.6314 179.3821 29 L 4.1153 8.4669 120.0538 57.8859 41.9431 178.3626 30 E 3.9614 7.8978 118.3516 59.9871 29.5090 179.2578 31 L 4.1264 8.2158 118.1384 57.9292 41.7220 179.7436 32 A 4.2644 7.9408 120.2708 55.4917 18.2825 179.6080 33 L 3.9302 8.2328 116.3605 58.0311 41.6894 179.7710 34 Q 4.1339 7.5306 116.6490 58.7403 28.9737 178.0603 35 Q 4.0038 7.8049 117.1920 57.7313 29.9340 176.5669 36 Y 4.3875 7.8602 119.5352 55.2126 37.0765 173.6021 37 P 4.3707 0.0000 0.0000 61.3698 32.7826 176.7334 38 R 3.9979 8.1479 117.6460 56.0574 31.4084 179.0890 39 G 4.3186 7.6107 110.1170 45.9273 0.0000 176.1488 40 S 4.6162 8.2053 120.8706 56.6475 64.1528 174.5723 41 S 4.3799 8.7567 115.3855 61.8093 61.5955 176.0790 42 D 4.3703 8.0252 120.8561 57.0807 40.6995 177.5266 43 C 3.9192 8.3818 117.1933 62.9650 28.4994 176.1719 44 W 4.1441 8.2461 119.4279 59.8779 28.6419 178.1131 45 D 4.6535 7.7344 117.4952 57.6461 40.4902 179.2527 46 K 3.9975 7.8120 118.7513 59.0086 31.7639 179.2583 47 I 3.2057 7.8284 120.2139 64.2485 36.9746 178.3024 48 A 4.0606 7.9780 120.8427 54.8558 17.9241 179.6622 49 R 3.8190 7.4680 116.3249 59.6322 30.3343 178.3483 50 C 4.5436 7.5223 114.8829 59.9216 32.2991 173.6054 51 V 4.2069 7.6144 120.6653 60.8035 30.9565 173.5869 52 P 4.5313 0.0000 0.0000 63.3867 31.5785 177.0872 53 S 4.3793 7.7217 113.4586 59.4981 63.6411 174.2343 54 K 4.3056 7.4032 116.8628 55.0557 33.8893 176.1094 55 S 4.7509 7.9253 116.2273 56.1995 66.7071 175.2225 56 K 3.8952 8.5195 123.2023 60.2968 31.7192 177.9886 57 E 3.8826 8.2848 117.7974 59.8818 29.4916 179.2108 58 D 4.4930 8.0108 118.0334 57.4946 41.0282 178.3176 59 C 4.5954 8.5640 117.7700 63.2012 27.6700 176.3672 60 I 2.7459 7.5511 120.8616 63.8900 36.3818 178.3419 61 A 4.0370 7.7442 120.2113 54.4485 18.4075 178.9209 62 R 3.9322 7.8198 117.0563 58.5522 30.2455 177.6447 63 Y 4.1671 7.8180 119.3570 60.7441 38.7920 178.0586 64 K 3.7220 7.6889 118.4209 59.8648 31.9758 179.1187 65 L 3.9058 7.6023 116.9697 57.6207 41.7218 178.8639 66 L 3.9831 7.4021 117.9868 57.7203 41.6454 179.4565 67 V 3.7946 7.5375 110.6755 62.1870 32.1243 176.8638 68 S 4.7676 7.7269 113.2746 56.8333 63.5223 173.7960 69 G 4.1803 7.2070 107.5973 42.7044 0.0000 171.3771 70 P 4.4006 0.0000 0.0000 62.7279 32.0912 176.4691 71 S 4.4248 8.1082 116.1011 57.4698 66.2082 174.3578 72 S 4.1396 8.8153 122.8890 59.3898 63.2896 174.6677 73 G 4.3588 8.7937 112.9776 46.1490 0.0000 172.7773 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 3.90 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 0.00 0.00 0.00 2 S 8.51 4.10 0.00 3.92 3.76 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 3 S 8.72 4.21 0.00 3.90 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 4 G 8.11 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 0.00 0.00 0.00 0.00 5 S 8.52 4.54 0.00 3.85 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 6 S 7.89 4.51 0.00 3.97 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 7 G 7.64 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 8 S 8.49 4.56 0.00 3.87 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 9 L 8.10 4.69 0.00 1.59 1.57 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 10 R 8.13 4.62 0.00 1.75 1.79 0.00 3.24 0.00 0.00 3.28 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 11 K 8.46 4.06 0.00 1.89 1.81 0.00 1.56 0.00 0.00 1.64 0.00 0.00 3.07 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.41 1.49 7.81 12 E 8.53 4.55 0.00 1.96 1.79 0.00 0.00 0.00 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 2.17 0.00 13 R 8.73 3.81 0.00 1.85 1.95 0.00 3.43 0.00 0.00 3.34 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.62 0.00 14 A 8.29 3.99 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 15 R 7.87 3.98 0.00 2.06 2.03 0.00 3.32 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.83 0.00 16 S 7.80 3.72 0.00 4.04 3.93 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 0.00 0.00 0.00 17 A 8.38 4.10 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 18 E 7.65 4.58 0.00 1.98 1.96 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 2.26 2.32 0.00 19 E 8.09 4.14 0.00 1.89 1.83 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 2.30 2.42 0.00 20 P 0.00 4.74 0.00 2.27 2.17 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 2.01 2.02 0.00 21 W 8.65 4.60 0.00 3.22 3.26 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 22 T 8.44 4.30 4.27 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 1.20 0.00 0.00 23 Q 8.82 3.95 0.00 2.33 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.97 0.00 0.00 0.00 0.00 0.00 2.46 2.53 0.00 24 N 8.22 4.47 0.00 2.85 2.87 0.00 0.00 6.94 8.78 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 25 Q 8.08 4.00 0.00 2.29 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.78 0.00 0.00 0.00 0.00 0.00 2.14 2.32 0.00 26 Q 8.64 4.28 0.00 2.37 2.24 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 2.40 2.47 0.00 27 K 7.84 4.27 0.00 1.96 2.14 0.00 1.76 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.52 7.81 28 L 8.63 4.01 0.00 1.75 1.93 0.96 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 29 L 8.47 4.12 0.00 2.25 1.97 1.25 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 30 E 7.90 3.96 0.00 2.14 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 0.00 2.40 2.56 0.00 31 L 8.22 4.13 0.00 1.73 1.79 0.94 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 32 A 7.94 4.26 1.51 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 33 L 8.23 3.93 0.00 1.83 1.80 0.63 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 34 Q 7.53 4.13 0.00 2.12 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.98 0.00 0.00 0.00 0.00 0.00 2.39 2.70 0.00 35 Q 7.80 4.00 0.00 1.55 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 7.30 0.00 0.00 0.00 0.00 0.00 2.14 2.31 0.00 36 Y 7.86 4.39 0.00 2.60 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 37 P 0.00 4.37 0.00 2.07 1.99 0.00 3.68 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 1.89 1.89 0.00 38 R 8.15 4.00 0.00 1.79 1.97 0.00 3.74 0.00 0.00 3.42 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.63 0.00 39 G 7.61 4.32 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 0.00 40 S 8.21 4.62 0.00 4.05 4.02 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 41 S 8.76 4.38 0.00 3.95 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 42 D 8.03 4.37 0.00 2.74 2.67 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 0.00 0.00 0.00 0.00 43 C 8.38 3.92 0.00 3.04 2.93 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 0.00 0.00 0.00 44 W 8.25 4.14 0.00 3.37 3.24 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 45 D 7.73 4.65 0.00 2.75 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 46 K 7.81 4.00 0.00 1.65 1.17 0.00 1.88 0.00 0.00 1.78 0.00 0.00 3.43 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.48 1.46 7.81 47 I 7.83 3.21 2.05 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.62 1.01 0.00 0.00 48 A 7.98 4.06 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 49 R 7.47 3.82 0.00 1.84 1.97 0.00 3.13 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.73 0.00 50 C 7.52 4.54 0.00 2.97 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 51 V 7.61 4.21 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 0.76 0.00 0.00 1.10 0.00 0.00 52 P 0.00 4.53 0.00 2.18 2.12 0.00 3.75 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 1.95 1.93 0.00 53 S 7.72 4.38 0.00 3.65 3.69 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 0.00 0.00 0.00 54 K 7.40 4.31 0.00 1.42 1.35 0.00 0.61 0.00 0.00 1.13 0.00 0.00 2.26 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.59 0.21 7.81 55 S 7.93 4.75 0.00 3.82 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 K 8.52 3.90 0.00 1.82 1.86 0.00 1.75 0.00 0.00 1.77 0.00 0.00 3.02 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.63 1.88 7.81 57 E 8.28 3.88 0.00 2.04 1.98 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 2.37 2.40 0.00 58 D 8.01 4.49 0.00 3.06 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 59 C 8.56 4.60 0.00 3.44 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 60 I 7.55 2.75 1.57 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.08 0.40 0.00 0.00 61 A 7.74 4.04 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.82 3.93 0.00 1.88 1.78 0.00 2.57 0.00 0.00 2.25 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.92 0.00 63 Y 7.82 4.17 0.00 3.46 3.19 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.69 3.72 0.00 1.81 1.82 0.00 1.68 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.47 1.54 7.81 65 L 7.60 3.91 0.00 1.55 1.60 0.86 0.88 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 66 L 7.40 3.98 0.00 1.66 1.62 0.90 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 67 V 7.54 3.79 1.85 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 -0.33 0.00 0.00 0.61 0.00 0.00 68 S 7.73 4.77 0.00 3.82 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 G 7.21 4.18 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 0.00 0.00 0.00 0.00 0.00 0.00 70 P 0.00 4.40 0.00 2.17 2.04 0.00 3.74 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.96 0.00 71 S 8.11 4.42 0.00 3.81 3.76 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 72 S 8.82 4.14 0.00 3.85 3.80 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 73 G 8.79 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