NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 Y 4.7819 8.0033 119.0462 56.9376 39.9569 173.8075 3 F 4.8755 8.9587 119.1611 55.9535 41.1101 172.0358 4 E 4.8296 10.0311 122.6343 55.0438 33.2287 173.5823 5 I 5.2493 8.7657 128.1381 60.1049 39.2631 174.4818 6 Y 4.9983 8.7189 123.8598 55.9577 42.2981 173.0702 7 K 4.8151 8.6967 120.6100 54.5936 33.7306 175.9049 8 D 4.8376 8.2970 127.2622 52.5113 41.1014 176.6042 9 A 3.7987 8.4564 120.8193 55.1678 18.5738 179.3105 10 K 4.0480 7.9546 114.7604 58.6404 32.3047 177.5353 11 G 4.2231 7.4846 108.1087 45.3146 0.0000 173.0624 12 E 4.6247 8.7520 116.5776 54.0547 33.3066 174.1638 13 Y 4.8747 8.1595 118.4297 57.9877 39.5595 174.9067 14 R 4.8826 8.6787 119.1959 54.8472 33.9487 173.2316 15 W 6.0109 8.2592 115.2396 53.9666 32.5584 174.1164 16 R 4.9586 8.7712 113.6995 55.2998 32.2315 173.2934 17 L 4.5461 8.7264 125.3148 54.0063 43.2511 175.3097 18 K 4.8048 8.0575 126.1113 54.7639 34.2539 177.1645 19 A 4.3034 8.7596 126.2029 51.2188 20.5766 177.8717 20 A 4.1066 8.6458 118.6322 55.4226 17.4307 178.3067 21 N 4.6763 8.1599 111.9351 53.1656 37.5890 175.1794 22 H 4.4442 7.9736 113.0636 57.4615 26.9679 174.1665 23 E 4.3336 7.4315 120.5773 54.8882 30.3592 175.5376 24 I 4.0192 7.5905 124.2862 61.6328 37.3816 175.7688 25 I 4.3552 8.5674 126.4243 62.3423 38.8867 176.0812 26 A 4.6003 7.6119 121.0225 50.9048 22.3433 175.1578 27 Q 4.4748 8.6402 119.7973 54.1887 31.5966 175.8283 28 G 2.9109 7.2901 110.2101 44.4531 0.0000 171.5221 29 E 4.6834 8.4476 120.3567 53.7388 32.5824 176.1044 30 G 4.2672 8.2461 108.6216 46.1480 0.0000 172.2382 31 Y 4.6411 8.3937 116.3914 56.7993 42.5620 175.4546 32 T 4.1497 9.1325 115.4851 63.2080 68.3203 175.2572 33 S 4.9622 8.0560 114.7819 56.6899 66.9163 175.1719 34 K 2.9635 7.7474 122.6209 58.7745 31.8817 178.8700 35 Q 3.7766 7.6938 119.7076 59.2965 29.1663 177.8105 36 N 4.3350 8.0211 117.4363 56.3237 38.5045 177.0468 37 C 2.9517 7.4007 118.8520 62.0501 31.7093 175.4266 38 Q 3.8019 7.7567 121.1044 59.1701 28.6472 177.6331 39 H 4.0786 8.0136 119.0059 58.9351 29.8789 177.0924 40 A 3.8105 7.5461 122.1657 55.1234 18.2291 179.7704 41 V 2.7747 7.0937 116.1904 65.9555 31.2435 178.0018 42 D 4.1686 7.4341 117.4034 57.1810 40.7487 178.4626 43 L 4.0106 7.5724 119.3745 57.5219 41.5824 179.4758 44 L 3.8759 7.5990 119.2014 57.5875 41.3968 179.5367 45 K 4.2015 7.5898 116.5765 58.7290 32.7622 178.2799 46 S 4.3763 7.3338 114.1013 58.4667 63.8176 174.4459 47 T 3.9593 7.1850 120.5628 63.8818 68.9679 173.7720 48 T 4.4832 7.9219 118.9477 60.0975 69.7340 174.2272 49 A 4.3037 8.4896 123.0957 52.9765 18.3973 177.6510 50 A 4.5397 7.7094 117.7161 52.0106 19.5250 177.0209 51 T 4.2268 7.5786 114.9876 62.1494 68.7776 173.2686 52 P 4.2669 0.0000 0.0000 62.8542 31.7472 175.8713 53 V 4.2950 8.2705 120.0125 61.1568 32.9585 174.7227 54 K 4.6535 8.5589 126.3349 54.3657 34.7368 175.1320 55 E 4.5489 8.4736 122.7232 54.0215 31.6981 175.4880 56 V 3.8310 8.4265 126.4346 62.4441 31.8104 175.5778 57 L 4.3668 8.3661 126.7958 55.8728 40.4332 176.2029 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 4.78 0.00 3.14 3.18 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 3 F 8.96 4.88 0.00 3.08 3.08 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 4 E 10.03 4.83 0.00 2.18 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 2.39 2.49 0.00 5 I 8.77 5.25 1.98 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.87 1.03 0.00 0.00 6 Y 8.72 5.00 0.00 3.08 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 7 K 8.70 4.82 0.00 1.65 1.73 0.00 1.71 0.00 0.00 1.62 0.00 0.00 2.16 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.20 1.04 7.81 8 D 8.30 4.84 0.00 3.00 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 9 A 8.46 3.80 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 10 K 7.95 4.05 0.00 1.73 1.85 0.00 1.71 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.42 7.81 11 G 7.48 4.22 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 0.00 0.00 0.00 12 E 8.75 4.62 0.00 2.19 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 2.42 2.21 0.00 13 Y 8.16 4.87 0.00 3.06 2.90 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 14 R 8.68 4.88 0.00 1.62 1.91 0.00 2.67 0.00 0.00 3.13 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.50 0.00 15 W 8.26 6.01 0.00 3.62 3.23 0.00 0.00 0.00 0.00 0.00 0.00 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 8.77 4.96 0.00 1.97 2.08 0.00 3.04 0.00 0.00 3.22 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.68 0.00 17 L 8.73 4.55 0.00 1.79 1.41 0.62 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 18 K 8.06 4.80 0.00 0.79 1.32 0.00 1.69 0.00 0.00 1.74 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.25 1.14 7.81 19 A 8.76 4.30 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 20 A 8.65 4.11 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 8.16 4.68 0.00 2.86 3.02 0.00 0.00 6.28 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 7.97 4.44 0.00 3.30 3.49 0.00 5.66 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 E 7.43 4.33 0.00 2.37 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 2.26 2.41 0.00 24 I 7.59 4.02 1.83 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.60 0.86 0.00 0.00 25 I 8.57 4.36 1.92 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.65 0.89 0.00 0.00 26 A 7.61 4.60 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 27 Q 8.64 4.47 0.00 1.79 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.70 0.00 0.00 0.00 0.00 0.00 2.18 2.21 0.00 28 G 7.29 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 0.00 0.00 0.00 29 E 8.45 4.68 0.00 1.89 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.23 0.00 30 G 8.25 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 0.00 0.00 0.00 0.00 31 Y 8.39 4.64 0.00 3.17 2.90 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 32 T 9.13 4.15 4.31 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 1.32 0.00 0.00 33 S 8.06 4.96 0.00 4.10 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.75 2.96 0.00 0.79 1.36 0.00 1.62 0.00 0.00 1.57 0.00 0.00 2.74 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.17 0.94 7.81 35 Q 7.69 3.78 0.00 2.10 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.67 0.00 0.00 0.00 0.00 0.00 2.36 2.43 0.00 36 N 8.02 4.34 0.00 2.88 2.99 0.00 0.00 6.73 7.75 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 37 C 7.40 2.95 0.00 2.77 2.81 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 38 Q 7.76 3.80 0.00 2.15 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.58 0.00 0.00 0.00 0.00 0.00 2.24 2.25 0.00 39 H 8.01 4.08 0.00 3.23 3.36 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 7.55 3.81 1.22 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 0.00 0.00 41 V 7.09 2.77 1.82 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 0.14 0.00 0.00 0.48 0.00 0.00 42 D 7.43 4.17 0.00 2.70 2.59 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 43 L 7.57 4.01 0.00 1.71 1.59 0.75 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 44 L 7.60 3.88 0.00 1.41 1.49 0.17 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 45 K 7.59 4.20 0.00 1.90 1.80 0.00 1.23 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.33 7.81 46 S 7.33 4.38 0.00 3.95 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 7.19 3.96 4.52 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 0.00 0.00 0.00 1.22 0.00 0.00 48 T 7.92 4.48 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 1.25 0.00 0.00 49 A 8.49 4.30 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 50 A 7.71 4.54 1.27 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 0.00 0.00 0.00 51 T 7.58 4.23 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 1.22 0.00 0.00 52 P 0.00 4.27 0.00 2.18 2.07 0.00 3.71 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 53 V 8.27 4.30 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 0.94 0.00 0.00 54 K 8.56 4.65 0.00 1.75 1.67 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.33 1.38 7.81 55 E 8.47 4.55 0.00 1.89 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 2.18 2.25 0.00 56 V 8.43 3.83 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 0.94 0.00 0.00 57 L 8.37 4.37 0.00 1.72 1.57 0.92 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00