NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 T 4.5895 8.1593 111.0777 61.6584 70.2589 172.6053 6 I 4.4127 8.9335 117.2788 58.2801 40.9673 172.3644 7 R 5.0996 9.0450 124.7135 54.5250 32.1825 176.6222 8 V 4.7620 9.1963 118.8792 59.6794 36.7303 174.4139 9 I 4.9430 8.9035 123.2105 59.7357 39.9781 174.8206 10 V 4.6678 8.8788 128.2458 61.2287 33.3901 174.8662 11 S 4.8585 8.6827 124.9464 58.3706 63.8981 173.8792 12 V 4.6998 8.4305 117.1049 59.5188 35.7313 175.2276 13 D 4.6042 9.0179 123.9024 52.8188 40.8462 177.0765 14 K 4.0710 8.8936 127.0053 59.4516 32.3239 179.4137 15 A 4.1917 8.1812 120.0676 54.0070 18.5110 177.9654 16 K 4.5185 7.3406 113.0744 56.4627 34.6876 176.8309 17 F 4.4473 8.7046 121.9170 57.9174 39.8257 173.9705 18 N 4.5182 7.8431 126.6523 50.7579 39.2725 172.9887 19 P 3.9064 0.0000 0.0000 65.6000 31.4312 178.5747 20 H 4.2296 7.9666 115.8830 58.2809 28.6265 176.8384 21 E 3.7205 8.0677 121.0861 58.3751 29.2339 178.6481 22 V 3.6861 7.4189 118.4381 66.2771 31.5424 177.8580 23 L 4.5479 7.0248 119.7397 57.0903 41.1837 179.5196 24 G 3.7388 7.4659 106.6879 48.7502 0.0000 174.3639 25 I 3.9375 7.6905 109.9724 60.9391 37.6565 176.4205 26 G 3.8860 8.3982 109.3337 45.5134 0.0000 173.6362 27 G 4.3331 7.7068 107.3869 44.8353 0.0000 172.8024 28 H 5.3253 8.8051 115.1404 53.4496 32.2807 172.6335 29 I 4.3354 8.4442 121.1398 61.5955 37.2795 175.5526 30 V 4.1821 9.0557 127.1493 64.6577 33.0145 175.7674 31 Y 4.5267 7.6349 120.4514 56.5241 42.2419 173.0329 32 Q 4.7839 7.8171 125.8971 54.0199 30.1966 175.5506 33 F 4.3759 8.7793 124.2126 57.6973 38.9875 176.2242 34 K 4.2103 9.0504 122.0993 58.0278 32.4119 177.6439 35 L 4.7120 8.1274 115.9709 54.2871 43.0809 175.9807 36 I 4.7092 7.4009 110.9338 58.4159 40.9335 173.8345 37 P 4.7644 0.0000 0.0000 61.4644 29.7712 174.2906 38 A 5.2908 7.7505 126.7497 51.3362 23.7093 175.7943 39 V 5.1184 8.7241 118.8287 60.0218 35.3697 174.6314 40 V 4.7203 9.0871 124.4527 61.1241 33.2382 175.4237 41 V 4.9131 9.1539 117.4617 59.6622 35.8316 173.9884 42 D 5.4529 8.8536 124.3525 52.8688 42.8759 176.0165 43 V 4.5855 8.6722 122.1031 59.4000 35.2965 172.8055 44 P 4.5108 0.0000 0.0000 62.3614 31.7070 177.2261 45 A 3.9058 8.7602 124.9879 55.0106 18.2698 178.7648 46 N 4.3749 8.0675 110.2831 53.7203 38.3153 175.9395 47 A 4.4961 8.2230 121.1478 52.2215 19.1463 178.7428 48 V 3.6958 7.4107 119.1281 66.0376 31.5620 178.2075 49 G 3.6647 8.1176 104.8393 47.9352 0.0000 175.3587 50 K 3.9403 8.0717 119.6401 58.9811 32.3865 178.5879 51 L 4.1329 8.5604 120.5831 58.3892 41.8785 179.0731 52 K 3.8984 8.2965 117.5945 59.3851 32.0566 178.5725 53 K 4.1642 7.6569 117.9550 57.5240 32.6583 177.1100 54 M 4.2199 7.3823 118.4917 54.6365 32.8031 174.5753 55 P 4.3425 0.0000 0.0000 63.8658 32.2863 178.2935 56 G 4.1266 8.9272 108.5055 46.1080 0.0000 173.7597 57 V 3.8624 7.6323 119.6309 63.1257 31.6633 174.9484 58 E 4.5592 8.9602 127.3349 57.4199 31.5657 176.5128 59 K 4.5055 7.6061 118.4240 55.0084 36.0078 174.9531 60 V 4.6922 8.2670 125.8859 61.2984 33.7026 174.1680 61 E 4.4312 9.0678 128.8799 54.8659 31.1440 176.4131 62 F 4.9891 8.1847 122.5314 57.3983 39.9936 174.6444 63 D 4.5906 8.2910 121.0620 54.6084 41.6634 175.3253 64 H 5.1080 8.5217 120.7854 53.6047 32.3816 173.1952 65 Q 4.0967 8.6473 122.5201 55.9165 29.5996 175.2340 66 A 4.8247 8.3443 127.2392 50.6039 21.2720 176.4402 67 V 4.5036 7.8356 112.4442 58.8293 35.4862 175.7147 68 L 3.9608 8.5525 125.0054 55.4672 42.5066 176.6979 69 L 4.2736 8.4097 125.8204 55.1720 42.0964 175.7719 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 5 T 8.16 4.59 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 1.23 0.00 0.00 6 I 8.93 4.41 1.73 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.79 0.79 0.00 0.00 7 R 9.04 5.10 0.00 1.99 1.83 0.00 3.26 0.00 0.00 3.31 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.50 0.00 8 V 9.20 4.76 2.32 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 0.83 0.00 0.00 0.99 0.00 0.00 9 I 8.90 4.94 1.90 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 1.22 0.76 1.05 0.00 0.00 10 V 8.88 4.67 1.91 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 0.79 0.00 0.00 0.93 0.00 0.00 11 S 8.68 4.86 0.00 3.76 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 12 V 8.43 4.70 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 -0.49 0.00 0.00 0.86 0.00 0.00 13 D 9.02 4.60 0.00 2.97 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 14 K 8.89 4.07 0.00 1.86 1.91 0.00 1.82 0.00 0.00 1.91 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.57 1.43 7.81 15 A 8.18 4.19 1.30 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 0.00 0.00 0.00 0.00 0.00 0.00 16 K 7.34 4.52 0.00 1.90 1.86 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.56 7.81 17 F 8.70 4.45 0.00 2.87 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 18 N 7.84 4.52 0.00 2.67 2.47 0.00 0.00 6.97 7.71 0.00 0.00 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 P 0.00 3.91 0.00 2.13 2.39 0.00 3.56 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 1.83 1.96 0.00 20 H 7.97 4.23 0.00 3.13 3.35 0.00 5.62 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 E 8.07 3.72 0.00 1.94 1.91 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 2.28 2.28 0.00 22 V 7.42 3.69 2.29 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 1.06 0.00 0.00 1.13 0.00 0.00 23 L 7.02 4.55 0.00 1.56 1.72 0.94 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 24 G 7.47 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 0.00 0.00 0.00 25 I 7.69 3.94 1.90 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 1.43 0.76 0.93 0.00 0.00 26 G 8.40 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 27 G 7.71 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 0.00 0.00 0.00 0.00 28 H 8.81 5.33 0.00 3.24 3.38 0.00 5.46 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 I 8.44 4.34 1.90 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.59 0.93 0.00 0.00 30 V 9.06 4.18 2.22 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 0.76 0.00 0.00 0.90 0.00 0.00 31 Y 7.63 4.53 0.00 2.98 2.53 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 0.00 32 Q 7.82 4.78 0.00 1.76 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.70 0.00 0.00 0.00 0.00 0.00 2.28 2.28 0.00 33 F 8.78 4.38 0.00 3.25 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 34 K 9.05 4.21 0.00 1.82 1.90 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.39 7.81 35 L 8.13 4.71 0.00 1.68 1.72 0.98 0.79 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 36 I 7.40 4.71 1.74 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.40 0.82 0.00 0.00 37 P 0.00 4.76 0.00 2.35 2.25 0.00 3.62 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.95 0.00 38 A 7.75 5.29 1.13 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 0.00 0.00 0.00 0.00 0.00 39 V 8.72 5.12 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 0.79 0.00 0.00 1.04 0.00 0.00 40 V 9.09 4.72 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 0.94 0.00 0.00 0.97 0.00 0.00 41 V 9.15 4.91 2.11 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 0.76 0.00 0.00 0.97 0.00 0.00 42 D 8.85 5.45 0.00 2.27 2.53 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 0.00 43 V 8.67 4.59 2.11 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 0.83 0.00 0.00 0.96 0.00 0.00 44 P 0.00 4.51 0.00 2.21 2.02 0.00 3.64 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.10 0.00 45 A 8.76 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 46 N 8.07 4.37 0.00 2.85 2.95 0.00 0.00 5.93 7.26 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 47 A 8.22 4.50 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 V 7.41 3.70 2.28 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 1.17 0.00 0.00 1.08 0.00 0.00 49 G 8.12 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 50 K 8.07 3.94 0.00 1.96 1.93 0.00 1.78 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.53 7.81 51 L 8.56 4.13 0.00 1.91 1.85 0.98 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 52 K 8.30 3.90 0.00 1.88 1.90 0.00 1.74 0.00 0.00 1.61 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.50 1.71 7.81 53 K 7.66 4.16 0.00 2.07 1.90 0.00 1.83 0.00 0.00 1.72 0.00 0.00 3.22 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.49 7.81 54 M 7.38 4.22 0.00 2.19 2.27 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.92 2.71 0.00 55 P 0.00 4.34 0.00 2.21 2.00 0.00 3.83 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.10 0.00 56 G 8.93 4.13 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 0.00 0.00 0.00 0.00 0.00 0.00 57 V 7.63 3.86 2.27 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 0.81 0.00 0.00 1.13 0.00 0.00 58 E 8.96 4.56 0.00 1.92 1.92 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 2.24 2.37 0.00 59 K 7.61 4.51 0.00 1.73 1.52 0.00 1.60 0.00 0.00 1.68 0.00 0.00 2.73 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.33 1.36 7.81 60 V 8.27 4.69 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 0.93 0.00 0.00 0.93 0.00 0.00 61 E 9.07 4.43 0.00 2.04 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 2.20 2.38 0.00 62 F 8.18 4.99 0.00 2.83 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 63 D 8.29 4.59 0.00 2.91 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.52 5.11 0.00 3.18 3.16 0.00 5.75 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 Q 8.65 4.10 0.00 2.03 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.79 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 66 A 8.34 4.82 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 67 V 7.84 4.50 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 0.75 0.00 0.00 0.93 0.00 0.00 68 L 8.55 3.96 0.00 1.58 1.58 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.41 4.27 0.00 1.62 1.50 0.92 0.87 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