NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 P 4.2241 0.0000 0.0000 62.0790 32.2119 177.0790 6 E 3.8856 8.7818 123.3753 55.9883 29.6941 168.2556 7 V 3.6936 7.6252 126.1320 61.3690 34.3865 169.2025 8 P 5.1325 0.0000 0.0000 62.0201 32.3502 175.2950 9 F 5.1183 7.7810 116.1072 55.0403 41.7693 173.7602 10 K 4.9088 8.7509 118.7176 56.1301 33.4189 176.5717 11 V 4.7989 8.4928 114.7743 60.0200 36.8952 174.0119 12 V 4.6198 8.1409 121.7879 60.6427 34.7534 174.4842 13 A 4.3415 8.0896 129.4228 52.4175 18.4528 178.1322 14 Q 3.8629 8.5693 121.9530 58.2328 29.3087 176.4330 15 F 5.1285 7.7812 115.6562 54.8339 43.4327 172.5159 16 P 4.6202 0.0000 0.0000 63.0580 32.5510 175.1761 17 Y 4.7247 8.5237 123.4216 55.9902 41.0887 174.0239 18 K 4.7168 7.9910 126.0689 54.5960 34.8494 175.8786 19 S 4.4777 8.1601 117.3928 57.7908 65.8768 174.3230 20 D 4.5628 8.4680 119.9020 54.7499 40.4714 177.0492 21 Y 4.2000 7.3493 118.0289 57.8048 38.4289 177.1769 22 E 4.1881 8.8950 121.8235 59.5211 30.3358 177.9984 23 D 4.6429 8.2006 118.8778 56.8568 41.9991 176.7290 24 D 5.0347 7.8238 117.1728 54.2185 41.7133 176.1997 25 L 4.5914 8.8584 125.6594 54.1826 42.3705 176.0285 26 N 4.8717 8.8648 124.2054 53.1848 40.0733 174.4276 27 F 5.0495 7.5928 112.5595 57.1879 41.4865 173.3869 28 E 4.7660 8.9162 120.1004 55.1628 30.5712 176.1673 29 K 4.0049 8.6372 121.8095 57.0189 33.6980 175.7278 30 D 4.2838 8.2672 121.4805 55.4379 39.1714 173.5466 31 Q 4.3462 7.0690 116.6966 54.2213 30.9088 173.8911 32 E 4.5226 8.5059 128.1395 55.8881 30.7741 175.5837 33 I 4.6728 8.4941 127.0697 59.5308 41.5168 174.5802 34 I 4.3941 8.5664 127.9858 59.9269 38.4129 175.4089 35 V 3.8920 8.0561 129.3808 63.1793 31.5026 176.5081 36 T 4.4225 8.6736 118.7312 62.9865 70.4091 174.8104 37 S 4.7633 7.9466 114.5996 56.7570 67.1637 173.1389 38 V 4.8244 8.3069 120.0533 61.3856 32.9561 175.3122 39 E 4.2651 8.8908 127.3986 58.8601 30.2024 175.8973 40 D 4.4320 7.3697 115.6630 53.3099 41.6626 174.9177 41 A 4.1081 8.8706 119.8184 54.9378 18.8367 178.1879 42 E 4.4171 8.3309 112.9245 55.7635 31.4415 175.9379 43 W 5.1028 7.7054 119.8488 55.3358 33.8099 174.4660 44 Y 5.1106 8.1064 122.2808 56.9183 40.3308 174.3366 45 F 4.9150 9.0698 122.0116 57.1577 42.4215 173.0777 46 G 4.4365 8.3652 114.9752 46.3500 0.0000 170.2870 47 E 5.4220 9.1599 116.1167 56.7413 33.2128 174.0134 48 Y 5.0726 7.8316 117.6275 55.8965 41.7224 173.5903 49 Q 4.2791 8.7067 122.4579 55.3776 29.3363 175.7403 50 D 4.8917 8.2835 126.6189 52.9542 40.7337 176.7941 51 S 4.3882 8.5732 113.6136 60.6267 62.9688 174.8681 52 N 4.5248 8.2864 116.3573 53.3800 38.8229 175.9295 53 G 3.9278 8.1824 106.4432 45.2684 0.0000 172.8442 54 D 4.6132 8.2308 120.3092 52.5365 42.0012 176.0753 55 V 3.9727 8.2866 124.2244 62.2608 31.5011 174.9332 56 I 4.4522 7.8353 121.5787 58.9838 39.4459 174.4075 57 E 4.8852 8.9546 119.4810 54.1336 33.2241 174.6061 58 G 4.2751 6.7884 108.2812 46.4434 0.0000 171.0963 59 I 5.4016 8.0778 113.3710 59.6263 39.6246 175.0721 60 F 5.4312 8.1080 117.5443 54.9606 41.6397 171.8285 61 P 4.0106 0.0000 0.0000 61.3615 31.9509 178.0390 62 K 3.7627 7.8346 122.0070 59.3556 32.0824 179.3414 63 S 4.3519 7.5820 111.5938 60.4088 63.4085 174.5585 64 F 5.2665 8.1435 119.6958 57.8134 38.9418 175.0739 65 V 5.0402 7.9003 119.0550 60.0953 34.8910 174.6470 66 A 4.6608 8.6837 123.4258 49.8206 21.5708 176.4609 67 V 3.8742 8.5929 121.0555 63.8235 31.2588 175.9160 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 P 0.00 4.22 0.00 0.67 1.43 0.00 3.36 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 1.40 1.78 0.00 6 E 8.78 3.89 0.00 2.07 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 0.00 2.32 2.36 0.00 7 V 7.63 3.69 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 0.87 0.00 0.00 1.03 0.00 0.00 8 P 0.00 5.13 0.00 2.07 1.99 0.00 3.39 0.00 0.00 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.81 0.00 9 F 7.78 5.12 0.00 3.06 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 10 K 8.75 4.91 0.00 1.70 1.77 0.00 1.73 0.00 0.00 1.83 0.00 0.00 2.87 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.48 7.81 11 V 8.49 4.80 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 0.86 0.00 0.00 1.00 0.00 0.00 12 V 8.14 4.62 2.00 0.00 0.00 0.00 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 0.87 0.00 0.00 13 A 8.09 4.34 1.07 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 0.00 0.00 14 Q 8.57 3.86 0.00 1.54 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.64 0.00 0.00 0.00 0.00 0.00 2.33 2.40 0.00 15 F 7.78 5.13 0.00 2.72 2.71 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 0.00 0.00 0.00 0.00 16 P 0.00 4.62 0.00 2.09 2.10 0.00 3.87 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 2.00 2.00 0.00 17 Y 8.52 4.72 0.00 3.14 1.67 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 18 K 7.99 4.72 0.00 1.48 1.53 0.00 1.61 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.25 1.35 7.81 19 S 8.16 4.48 0.00 3.91 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 20 D 8.47 4.56 0.00 2.53 2.70 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 21 Y 7.35 4.20 0.00 2.97 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 22 E 8.89 4.19 0.00 2.12 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 0.00 2.34 2.39 0.00 23 D 8.20 4.64 0.00 2.73 2.82 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 24 D 7.82 5.03 0.00 3.01 2.94 0.00 0.00 0.00 0.00 0.00 0.00 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 8.86 4.59 0.00 1.96 2.16 0.95 1.19 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 26 N 8.86 4.87 0.00 2.67 2.70 0.00 0.00 7.02 7.45 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 27 F 7.59 5.05 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 28 E 8.92 4.77 0.00 1.92 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 2.34 2.28 0.00 29 K 8.64 4.00 0.00 1.86 1.68 0.00 1.83 0.00 0.00 1.79 0.00 0.00 2.73 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.44 1.50 7.81 30 D 8.27 4.28 0.00 2.80 2.66 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 31 Q 7.07 4.35 0.00 2.10 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.01 0.00 0.00 0.00 0.00 0.00 1.37 1.33 0.00 32 E 8.51 4.52 0.00 1.93 1.75 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 2.22 2.26 0.00 33 I 8.49 4.67 1.52 0.00 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.05 0.99 0.00 0.00 34 I 8.57 4.39 1.86 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.75 0.86 0.00 0.00 35 V 8.06 3.89 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 0.45 0.00 0.00 0.33 0.00 0.00 36 T 8.67 4.42 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 1.25 0.00 0.00 37 S 7.95 4.76 0.00 3.87 3.96 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 0.00 0.00 0.00 38 V 8.31 4.82 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 1.00 0.00 0.00 1.21 0.00 0.00 39 E 8.89 4.27 0.00 2.28 1.97 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 2.45 2.46 0.00 40 D 7.37 4.43 0.00 2.74 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 41 A 8.87 4.11 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 8.33 4.42 0.00 1.83 1.45 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 2.05 2.17 0.00 43 W 7.71 5.10 0.00 3.21 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 44 Y 8.11 5.11 0.00 1.82 2.36 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 45 F 9.07 4.92 0.00 3.14 2.83 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 46 G 8.37 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 9.16 5.42 0.00 1.99 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 2.20 2.10 0.00 48 Y 7.83 5.07 0.00 3.07 3.05 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 0.00 0.00 0.00 49 Q 8.71 4.28 0.00 2.05 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 7.01 0.00 0.00 0.00 0.00 0.00 2.34 2.34 0.00 50 D 8.28 4.89 0.00 2.95 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 8.57 4.39 0.00 3.93 3.99 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 52 N 8.29 4.52 0.00 2.99 2.85 0.00 0.00 7.13 7.65 0.00 0.00 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 G 8.18 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 0.00 0.00 0.00 54 D 8.23 4.61 0.00 2.68 2.55 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 55 V 8.29 3.97 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 0.78 0.00 0.00 0.91 0.00 0.00 56 I 7.84 4.45 1.73 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.04 0.81 0.00 0.00 57 E 8.95 4.89 0.00 1.63 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 2.19 2.40 0.00 58 G 6.79 4.28 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 0.00 59 I 8.08 5.40 2.08 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 1.83 1.15 0.00 0.00 60 F 8.11 5.43 0.00 3.25 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 61 P 0.00 4.01 0.00 0.49 0.51 0.00 3.01 0.00 0.00 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.44 0.00 62 K 7.83 3.76 0.00 1.42 1.42 0.00 1.41 0.00 0.00 1.19 0.00 0.00 2.34 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.30 0.79 7.81 63 S 7.58 4.35 0.00 4.08 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 64 F 8.14 5.27 0.00 3.41 3.33 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 65 V 7.90 5.04 2.40 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 1.11 0.00 0.00 0.80 0.00 0.00 66 A 8.68 4.66 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 67 V 8.59 3.87 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 0.49 0.00 0.00 1.04 0.00 0.00