NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 Y 4.7423 8.0033 119.0414 56.9474 40.0006 173.6207 3 F 4.9454 8.8939 118.8355 55.7449 41.1795 172.1313 4 E 4.8206 10.1899 123.0959 54.9674 33.1909 173.6364 5 I 5.2313 8.7548 128.1491 60.0906 39.2113 174.4974 6 Y 5.0597 8.7587 123.9212 55.8891 42.2695 173.0887 7 K 5.2006 8.9691 120.2735 53.6368 33.8416 176.5538 8 D 4.8363 8.5101 131.0294 53.6938 39.8187 176.3231 9 A 4.4305 8.4866 117.9624 53.7874 20.2673 178.8659 10 K 4.0458 8.1248 114.7572 60.7788 32.2015 177.3736 11 G 3.5103 7.8527 107.1847 45.7273 0.0000 172.9970 12 E 4.5887 8.3643 119.1994 54.4405 33.4897 174.3502 13 Y 5.2660 8.8919 118.1778 56.7951 40.9385 175.5863 14 R 5.2690 8.8914 117.4234 54.8268 33.6173 173.4839 15 W 5.8351 8.0919 116.4174 54.1806 32.2917 173.7426 16 R 5.1666 8.8760 113.2864 55.5835 32.1159 173.4144 17 L 4.7010 9.2400 123.7080 53.5380 43.6722 175.1786 18 K 4.9538 8.0383 126.1777 54.8778 33.9721 176.7844 19 A 4.3239 8.7792 126.8293 50.6478 19.9456 178.2400 20 A 4.2132 8.6371 122.4699 55.3435 18.2428 178.0826 21 N 4.6667 8.1029 111.2133 53.1313 38.2897 174.9304 22 H 4.1834 8.4256 112.7325 58.2295 26.7155 174.5184 23 E 4.6496 7.4614 117.5053 54.3019 33.3467 176.3875 24 I 4.3383 7.8573 123.6130 61.2867 36.6638 175.9609 25 I 4.1799 8.8433 127.6639 63.1601 38.0313 176.8423 26 A 4.8122 7.8456 121.9296 50.1435 22.6424 174.6221 27 Q 4.6150 8.7976 121.9312 54.1363 31.6827 174.7906 28 G 2.6720 7.8920 112.3452 43.7780 0.0000 172.3492 29 E 4.3466 8.2655 121.2895 55.1138 32.0354 175.0051 30 G 4.1543 8.2619 107.1155 45.6249 0.0000 172.8603 31 Y 4.9326 9.1421 118.5445 56.2316 42.3592 176.8170 32 T 3.8826 9.0228 116.1732 64.6110 67.8774 174.6716 33 S 5.0674 7.8245 114.4528 55.5572 66.1660 174.6420 34 K 3.2728 8.5098 122.2309 59.2063 31.7730 178.9979 35 Q 3.8363 7.8798 119.6114 59.3394 29.0856 177.8148 36 N 4.3861 7.8925 117.5689 56.3523 38.6088 177.0483 37 C 3.2858 7.6678 119.7521 62.1788 31.8222 175.2577 38 Q 3.7918 7.7874 120.9598 59.1554 28.6308 177.6328 39 H 4.0957 8.0308 118.9432 58.9215 29.8804 177.1000 40 A 3.8261 7.5902 122.2699 55.1081 18.2443 179.7491 41 V 2.5072 7.0003 116.1358 65.8740 31.2985 177.9971 42 D 4.1696 7.6200 118.3340 57.2025 40.3577 178.8094 43 L 3.8975 7.3434 118.5907 57.5027 41.9874 179.1731 44 L 4.0773 7.6068 119.2343 57.5994 41.4101 179.5249 45 K 4.2687 7.6681 116.6293 58.7520 32.7241 178.1895 46 S 4.4257 7.2537 114.5268 58.2722 63.5773 174.1249 47 T 4.1968 7.0969 119.0962 63.5362 69.2480 173.6465 48 T 4.5928 8.6368 118.6256 59.6209 70.2546 174.6763 49 A 4.0219 8.4979 125.0544 54.4372 18.3810 178.4445 50 A 4.1747 7.8221 117.0870 53.6607 19.2082 177.0879 51 T 3.8433 7.6654 112.8170 63.0000 68.2756 172.4816 52 P 4.4118 0.0000 0.0000 62.7796 31.8299 175.9535 53 V 4.3737 8.0902 118.0402 61.1004 33.9695 174.8234 54 K 4.7496 8.6547 126.1039 54.3673 34.8221 175.2137 55 E 4.7239 8.4379 118.6448 54.5266 32.2781 175.5145 56 V 4.2795 8.2400 115.2465 60.1115 33.1601 175.2241 57 L 4.6608 7.8696 122.1413 54.2224 43.1779 175.1935 58 E 4.1796 8.4866 119.1552 56.8185 30.1712 176.7611 59 H 4.5393 8.7154 122.3366 58.9425 30.5642 174.8548 60 H 4.2585 8.1907 117.6619 56.0203 28.0278 174.7557 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 2 Y 8.00 4.74 0.00 3.12 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 3 F 8.89 4.95 0.00 3.02 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 4 E 10.19 4.82 0.00 2.15 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 2.40 2.49 0.00 5 I 8.75 5.23 1.94 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.84 0.91 0.00 0.00 6 Y 8.76 5.06 0.00 3.09 3.12 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 7 K 8.97 5.20 0.00 1.56 1.72 0.00 1.51 0.00 0.00 2.61 0.00 0.00 2.13 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.21 1.12 7.81 8 D 8.51 4.84 0.00 2.85 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 9 A 8.49 4.43 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 10 K 8.12 4.05 0.00 1.70 1.85 0.00 1.61 0.00 0.00 1.69 0.00 0.00 3.10 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.48 7.81 11 G 7.85 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 12 E 8.36 4.59 0.00 2.00 2.06 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 2.26 2.24 0.00 13 Y 8.89 5.27 0.00 2.90 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 14 R 8.89 5.27 0.00 1.49 2.03 0.00 2.86 0.00 0.00 3.18 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.76 0.00 15 W 8.09 5.84 0.00 3.55 3.22 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 16 R 8.88 5.17 0.00 2.01 2.16 0.00 3.15 0.00 0.00 3.25 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.68 0.00 17 L 9.24 4.70 0.00 1.68 1.43 0.67 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 18 K 8.04 4.95 0.00 0.79 1.40 0.00 1.68 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.39 1.18 7.81 19 A 8.78 4.32 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 20 A 8.64 4.21 1.32 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 21 N 8.10 4.67 0.00 2.82 2.90 0.00 0.00 6.12 7.90 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 22 H 8.43 4.18 0.00 3.26 3.38 0.00 5.61 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 E 7.46 4.65 0.00 2.08 1.77 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 0.00 2.28 2.22 0.00 24 I 7.86 4.34 1.85 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.43 0.90 0.00 0.00 25 I 8.84 4.18 1.90 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.68 0.90 0.00 0.00 26 A 7.85 4.81 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.80 4.62 0.00 1.96 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.76 0.00 0.00 0.00 0.00 0.00 2.19 2.23 0.00 28 G 7.89 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 0.00 0.00 0.00 29 E 8.27 4.35 0.00 2.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.21 0.00 30 G 8.26 4.15 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 Y 9.14 4.93 0.00 2.90 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 32 T 9.02 3.88 4.29 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 1.30 0.00 0.00 33 S 7.82 5.07 0.00 4.04 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 34 K 8.51 3.27 0.00 0.79 1.51 0.00 1.48 0.00 0.00 1.36 0.00 0.00 2.76 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.17 0.83 7.81 35 Q 7.88 3.84 0.00 2.15 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.67 0.00 0.00 0.00 0.00 0.00 2.39 2.47 0.00 36 N 7.89 4.39 0.00 3.02 3.11 0.00 0.00 6.73 7.52 0.00 0.00 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 C 7.67 3.29 0.00 2.72 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 38 Q 7.79 3.79 0.00 2.16 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.59 0.00 0.00 0.00 0.00 0.00 2.24 2.23 0.00 39 H 8.03 4.10 0.00 3.25 3.39 0.00 5.84 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 A 7.59 3.83 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 41 V 7.00 2.51 1.71 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 -0.18 0.00 0.00 0.26 0.00 0.00 42 D 7.62 4.17 0.00 2.74 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 43 L 7.34 3.90 0.00 1.64 1.62 0.77 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 44 L 7.61 4.08 0.00 1.46 1.63 0.16 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 45 K 7.67 4.27 0.00 1.93 1.96 0.00 1.33 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.36 7.81 46 S 7.25 4.43 0.00 3.96 4.09 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 0.00 0.00 0.00 47 T 7.10 4.20 4.40 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 1.22 0.00 0.00 48 T 8.64 4.59 4.24 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 1.27 0.00 0.00 49 A 8.50 4.02 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 50 A 7.82 4.17 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 51 T 7.67 3.84 4.29 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 1.22 0.00 0.00 52 P 0.00 4.41 0.00 2.18 2.07 0.00 3.71 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 53 V 8.09 4.37 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 0.88 0.00 0.00 0.98 0.00 0.00 54 K 8.65 4.75 0.00 1.76 1.68 0.00 1.75 0.00 0.00 1.76 0.00 0.00 2.90 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.34 1.39 7.81 55 E 8.44 4.72 0.00 2.02 1.88 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 2.16 2.29 0.00 56 V 8.24 4.28 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 0.77 0.00 0.00 0.94 0.00 0.00 57 L 7.87 4.66 0.00 1.69 1.60 0.94 0.65 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 58 E 8.49 4.18 0.00 2.06 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 2.36 2.33 0.00 59 H 8.72 4.54 0.00 3.06 3.27 0.00 5.77 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 H 8.19 4.26 0.00 3.24 3.23 0.00 5.63 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00