NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4522 8.1633 118.3243 55.2384 33.6343 173.6362 2 Q 4.7485 8.2259 118.9057 52.9691 30.8256 173.3968 3 I 4.4979 9.1363 117.6376 58.9557 42.1697 173.6013 4 F 5.4767 8.6981 119.7461 55.6928 42.9195 174.9400 5 V 4.7731 8.8416 120.5292 61.1412 34.8079 174.3041 6 K 4.6283 9.1419 131.0583 55.5997 33.0817 176.7406 7 T 4.5042 8.7132 119.7690 60.5273 70.5013 175.2832 8 L 3.9839 8.5120 120.6755 58.3276 41.5134 178.8807 9 T 4.0300 7.7727 106.2407 62.6100 69.1857 175.3144 10 G 3.9733 8.0875 111.1127 44.9786 0.0000 174.0379 11 K 3.9813 7.8363 121.5949 56.8972 32.6879 175.1996 12 T 5.1142 8.3390 122.6951 62.1405 70.0705 173.9732 13 I 4.6969 8.8553 119.1725 59.4812 41.2443 174.1707 14 T 5.1000 8.4868 118.7319 61.8547 70.8311 173.8353 15 L 4.7689 8.9179 125.1830 52.8476 45.4197 175.0092 16 E 4.8336 8.6161 123.1679 55.0991 30.4237 175.3537 17 V 4.7361 8.8948 119.6418 60.0158 36.3207 174.4897 18 E 4.6185 9.5100 121.6926 54.1381 31.5861 175.7832 19 P 4.1782 0.0000 0.0000 65.6222 31.5324 178.2910 20 S 4.4198 7.8696 109.9013 58.8136 63.8882 174.1816 21 D 4.4463 8.1655 123.5128 54.6936 41.3499 176.1207 22 T 4.7775 8.1883 113.3782 61.1227 71.4613 175.9980 23 I 3.7226 8.4152 123.2526 64.5849 37.0896 178.6024 24 E 3.9617 8.2021 119.0197 59.5162 29.3173 178.7958 25 N 4.3065 7.7844 115.7603 56.5629 39.0045 177.1147 26 V 3.5495 7.7348 119.6079 66.0337 31.5767 178.2018 27 K 4.1974 8.7217 119.7423 58.7982 31.8221 179.1351 28 A 3.9791 8.1071 121.1284 55.2120 17.9185 179.8911 29 K 4.1386 8.1168 116.9678 59.5824 32.0631 179.7625 30 I 3.7600 7.8272 120.3435 64.2202 36.9309 178.1542 31 Q 4.0521 8.3463 120.7052 59.3811 28.6575 178.0320 32 D 4.3368 7.9388 118.8571 57.0061 40.8586 178.4153 33 K 4.2427 7.5009 117.2446 58.2883 32.7729 178.1360 34 E 4.5252 8.7653 116.5529 55.3750 30.4228 177.1114 35 G 3.8673 8.0707 106.5315 45.9309 0.0000 172.8417 36 I 4.3917 7.4497 119.6166 58.3352 38.9700 174.1992 37 P 4.4658 0.0000 0.0000 61.7225 32.1623 175.6199 38 P 4.2604 0.0000 0.0000 65.9394 31.3638 178.2043 39 D 4.5821 8.0223 115.4279 55.8894 40.9819 176.7446 40 Q 4.3559 7.8520 117.2109 56.5026 29.3588 175.8110 41 Q 4.3419 7.8782 118.5756 55.3994 30.3576 175.1317 42 R 4.8349 9.1190 123.0249 54.3709 33.1745 174.6256 43 L 5.0991 8.5127 123.9552 53.1114 44.1146 175.2839 44 I 5.0170 8.8339 125.4214 59.4798 40.1824 174.6529 45 F 5.0330 8.8690 127.7135 57.1219 43.1254 174.1719 46 A 3.4989 9.0856 127.2361 52.9907 15.9565 177.8849 47 G 3.9517 8.5527 105.9299 46.6135 0.0000 174.2470 48 K 4.6569 7.8716 118.9093 54.1665 35.1103 174.9163 49 Q 4.6905 8.4534 123.4939 55.6981 29.9129 175.1464 50 L 3.8123 8.6267 127.2189 54.3219 42.6099 176.0346 51 E 4.7779 9.1014 123.0756 54.2363 32.0229 175.6403 52 D 4.5721 8.7655 123.5967 56.2095 41.4040 177.1776 53 G 3.9870 9.6107 111.6060 45.3222 0.0000 173.8460 54 R 4.5816 7.6251 118.5571 55.0221 31.9183 175.4373 55 T 5.0526 8.3270 109.8929 59.7043 71.3211 174.9596 56 L 4.2218 8.6669 122.5699 58.0361 41.9812 180.2854 57 S 4.1884 8.5389 113.5844 61.2942 62.9464 176.2024 58 D 4.2765 7.8320 120.0452 56.6692 40.3361 176.7052 59 Y 4.5631 8.1257 115.1002 56.9050 38.2563 175.2601 60 N 4.2317 7.9796 116.9889 54.5352 37.9284 174.0014 61 I 3.5933 7.1121 114.4376 60.2768 37.7764 175.6649 62 Q 4.6173 8.2768 124.1680 52.9473 31.7547 174.5712 63 K 3.9807 8.4275 119.2518 58.6609 32.0866 176.2480 64 E 3.7586 9.2099 124.2958 56.7319 28.0099 174.7999 65 S 4.5379 7.8833 115.7366 59.2075 64.2732 173.2536 66 T 5.2081 8.6629 118.2414 62.0091 70.7453 173.7932 67 L 4.8671 9.0455 126.7588 54.0053 44.2834 175.2407 68 H 5.1006 9.1740 119.2933 54.0305 31.3253 172.7713 69 L 5.0388 8.5855 126.2219 53.8354 43.3392 175.8086 70 V 4.6084 9.0155 118.5445 60.1164 36.7783 174.1478 71 L 4.8538 8.2451 121.1173 53.2995 44.2475 175.6781 72 R 4.5105 8.3456 117.3183 54.8604 32.1303 175.7492 73 L 4.4707 8.2505 124.2094 53.2407 42.0159 175.5966 74 R 4.2710 8.3433 125.3391 55.6981 31.0316 177.3568 75 G 3.7285 8.3537 109.9432 46.0091 0.0000 172.3720 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 M 8.16 4.45 0.00 2.06 2.20 0.00 0.00 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.73 0.00 2 Q 8.23 4.75 0.00 1.90 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.67 0.00 0.00 0.00 0.00 0.00 2.28 2.33 0.00 3 I 9.14 4.50 1.83 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.83 0.82 0.00 0.00 4 F 8.70 5.48 0.00 2.99 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 5 V 8.84 4.77 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 1.03 0.00 0.00 0.93 0.00 0.00 6 K 9.14 4.63 0.00 1.82 1.68 0.00 1.69 0.00 0.00 1.77 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.53 7.81 7 T 8.71 4.50 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 8 L 8.51 3.98 0.00 1.66 1.79 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.77 4.03 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 1.21 0.00 0.00 10 G 8.09 3.97 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 0.00 0.00 0.00 11 K 7.84 3.98 0.00 1.84 1.70 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.44 1.42 7.81 12 T 8.34 5.11 4.16 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 0.00 0.00 0.00 1.21 0.00 0.00 13 I 8.86 4.70 1.90 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 1.39 1.04 0.98 0.00 0.00 14 T 8.49 5.10 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 1.10 0.00 0.00 15 L 8.92 4.77 0.00 1.42 1.46 0.88 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.62 4.83 0.00 1.90 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 0.00 2.19 2.35 0.00 17 V 8.89 4.74 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.90 0.00 0.00 18 E 9.51 4.62 0.00 1.80 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 0.00 2.22 2.39 0.00 19 P 0.00 4.18 0.00 2.15 2.09 0.00 3.56 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.06 0.00 20 S 7.87 4.42 0.00 3.97 3.97 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 21 D 8.17 4.45 0.00 2.81 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 22 T 8.19 4.78 4.43 0.00 0.00 0.00 0.00 0.00 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 23 I 8.42 3.72 2.01 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.12 0.89 0.00 0.00 24 E 8.20 3.96 0.00 2.05 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.44 0.00 25 N 7.78 4.31 0.00 2.87 2.95 0.00 0.00 6.88 7.59 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 26 V 7.73 3.55 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.95 0.00 0.00 27 K 8.72 4.20 0.00 1.95 1.84 0.00 1.86 0.00 0.00 1.88 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.62 1.47 7.81 28 A 8.11 3.98 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 29 K 8.12 4.14 0.00 1.97 1.85 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.44 1.60 7.81 30 I 7.83 3.76 2.11 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.79 0.95 0.00 0.00 31 Q 8.35 4.05 0.00 2.22 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.77 0.00 0.00 0.00 0.00 0.00 2.35 2.49 0.00 32 D 7.94 4.34 0.00 2.88 2.72 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 0.00 0.00 0.00 33 K 7.50 4.24 0.00 1.73 1.86 0.00 1.68 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.65 7.81 34 E 8.77 4.53 0.00 1.98 1.99 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 2.27 2.44 0.00 35 G 8.07 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 I 7.45 4.39 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.66 0.91 0.00 0.00 37 P 0.00 4.47 0.00 2.17 1.97 0.00 3.76 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.10 0.00 38 P 0.00 4.26 0.00 2.17 2.11 0.00 3.59 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.27 0.00 39 D 8.02 4.58 0.00 2.67 2.72 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 0.00 0.00 0.00 40 Q 7.85 4.36 0.00 2.21 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.82 0.00 0.00 0.00 0.00 0.00 2.33 2.31 0.00 41 Q 7.88 4.34 0.00 2.19 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.75 0.00 0.00 0.00 0.00 0.00 2.37 2.54 0.00 42 R 9.12 4.83 0.00 1.70 1.81 0.00 3.29 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 43 L 8.51 5.10 0.00 1.58 1.51 0.95 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.83 5.02 1.92 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.12 0.95 0.00 0.00 45 F 8.87 5.03 0.00 3.01 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 46 A 9.09 3.50 0.93 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 47 G 8.55 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 48 K 7.87 4.66 0.00 2.01 1.80 0.00 1.76 0.00 0.00 1.81 0.00 0.00 3.16 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.39 7.81 49 Q 8.45 4.69 0.00 2.06 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.93 0.00 0.00 0.00 0.00 0.00 2.44 2.38 0.00 50 L 8.63 3.81 0.00 1.36 1.19 0.72 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 51 E 9.10 4.78 0.00 2.05 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 2.51 2.49 0.00 52 D 8.77 4.57 0.00 2.66 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 9.61 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 0.00 0.00 0.00 54 R 7.63 4.58 0.00 2.19 1.95 0.00 3.11 0.00 0.00 3.06 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.84 0.00 55 T 8.33 5.05 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 56 L 8.67 4.22 0.00 1.91 1.72 0.90 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.54 4.19 0.00 3.96 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 58 D 7.83 4.28 0.00 2.59 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 59 Y 8.13 4.56 0.00 3.15 3.07 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 60 N 7.98 4.23 0.00 2.95 3.05 0.00 0.00 7.12 7.51 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 61 I 7.11 3.59 1.82 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.06 0.20 0.60 0.00 0.00 62 Q 8.28 4.62 0.00 2.07 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.91 0.00 0.00 0.00 0.00 0.00 2.49 2.43 0.00 63 K 8.43 3.98 0.00 1.67 1.73 0.00 1.86 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.43 1.45 7.81 64 E 9.21 3.76 0.00 2.20 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 0.00 2.44 2.25 0.00 65 S 7.88 4.54 0.00 3.68 3.62 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 0.00 0.00 0.00 66 T 8.66 5.21 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 67 L 9.05 4.87 0.00 1.56 1.58 0.84 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 68 H 9.17 5.10 0.00 3.14 3.23 0.00 5.79 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.59 5.04 0.00 1.65 1.72 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 70 V 9.02 4.61 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 0.71 0.00 0.00 0.99 0.00 0.00 71 L 8.25 4.85 0.00 1.61 1.61 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.35 4.51 0.00 1.77 1.82 0.00 3.17 0.00 0.00 3.15 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 73 L 8.25 4.47 0.00 1.56 1.59 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 74 R 8.34 4.27 0.00 1.84 1.84 0.00 3.25 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 75 G 8.35 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00