NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9290 8.3393 109.7365 45.7088 0.0000 174.1885 2 S 4.3392 8.1994 116.8655 55.5958 61.8976 170.1734 3 S 4.3218 8.3862 122.2194 56.9886 63.9982 174.5699 4 G 4.3578 9.5869 120.4933 45.9271 0.0000 171.4419 5 S 3.8700 8.3194 115.0601 59.4396 60.7565 174.6524 6 S 4.0564 8.1930 116.1786 62.5458 62.8986 176.2047 7 G 4.0836 8.0189 112.5833 46.0227 0.0000 172.6134 8 L 4.6130 8.9482 127.1012 53.0072 44.9299 174.8600 9 L 5.2048 8.1545 118.3332 53.0864 44.9339 175.9786 10 A 4.8415 8.9617 124.3905 50.1591 23.1803 174.9968 11 R 4.6316 8.4405 119.3052 54.9562 33.1226 175.2658 12 A 4.4659 7.7959 124.0665 50.0343 19.6683 177.3425 13 L 3.7529 8.4495 121.6011 58.0718 42.1475 177.6195 14 Y 4.8302 7.6227 114.1249 56.3855 41.7819 174.0388 15 D 4.7196 8.8594 123.1886 53.5805 38.8128 175.0794 16 N 4.7246 8.4673 119.5655 51.8878 40.9550 173.3269 17 C 4.8273 8.1245 125.7497 56.4407 31.2189 170.7526 18 P 4.4323 0.0000 0.0000 62.2215 31.9456 176.8318 19 D 4.5073 8.5459 119.3218 55.0518 41.6812 175.1361 20 C 4.9044 7.4927 117.4841 56.8214 34.9278 174.2717 21 S 3.9731 8.7207 116.2880 61.5374 62.4991 174.7199 22 D 4.5962 8.2229 120.0195 57.1639 41.0392 177.8414 23 E 4.6549 7.4599 115.4818 55.9783 30.5697 175.6921 24 L 4.7518 8.9910 123.6192 53.7134 44.1797 175.9792 25 A 4.5775 8.6770 127.0878 50.4007 20.0283 175.6057 26 F 5.1448 7.4582 114.0281 55.9857 41.9322 174.4514 27 S 5.0114 8.7468 114.0436 56.1775 66.1094 174.1306 28 R 3.9509 8.6058 122.6529 57.4665 30.6499 175.7787 29 G 3.8949 8.2485 110.3927 47.1292 0.0000 173.5498 30 D 4.8700 7.7574 117.5702 52.1504 44.9732 175.9869 31 I 4.4087 8.5030 124.6331 60.5657 37.6817 175.1020 32 L 4.4663 8.5293 128.2267 53.7473 43.8440 176.7451 33 T 4.4787 7.9813 121.1644 62.4631 69.1013 174.0116 34 I 4.3135 8.8267 128.9896 61.3252 35.8101 176.8909 35 L 4.1259 8.8035 127.1883 57.2101 41.7077 177.3483 36 E 4.6719 7.9550 115.0685 55.3912 32.4936 175.5219 37 Q 4.2986 8.7660 120.6185 58.3763 29.7710 176.3268 38 H 4.5165 8.1246 118.0010 56.1238 27.2928 173.0126 39 V 4.2690 7.8614 123.4366 59.5335 31.7117 174.0831 40 P 4.4869 0.0000 0.0000 64.8541 31.7879 178.2698 41 E 4.0723 8.2448 118.3215 58.4774 29.5900 177.1934 42 S 4.5631 7.5936 113.0557 56.3523 65.4645 173.4930 43 E 4.1377 9.0274 125.9324 57.1384 29.3847 176.8801 44 G 3.5581 9.2460 114.0166 45.9734 0.0000 172.0184 45 W 5.3689 7.6934 115.5768 54.5453 34.1355 175.7395 46 W 5.3092 9.6147 121.3235 54.9855 32.6092 174.8067 47 K 4.8698 8.8694 126.2751 56.1841 31.9375 175.3348 48 C 5.9932 8.9804 125.0173 57.0854 31.4941 172.7115 49 L 5.0354 8.2338 120.7452 53.3647 45.0295 175.0562 50 L 4.7842 8.4993 126.8293 55.3922 45.1819 175.2722 51 H 3.9557 10.1241 123.1144 56.9064 26.8145 174.3129 52 G 3.8755 8.0584 100.8949 47.0603 0.0000 174.8493 53 R 4.2279 8.1681 118.3921 58.0380 31.9500 178.4214 54 Q 3.6212 8.1599 112.6286 57.5184 25.8925 172.3695 55 G 4.3594 7.6548 103.0790 44.1238 0.0000 173.0343 56 L 5.2652 8.9628 120.3823 54.5672 43.6516 176.0697 57 A 5.5689 9.7029 121.4815 49.8900 23.3068 174.1705 58 P 3.2953 0.0000 0.0000 61.9348 31.7345 177.3088 59 A 2.9402 6.9958 127.2224 53.9087 18.1494 178.6902 60 N 4.4495 7.5161 111.8678 55.0582 39.1872 175.7115 61 R 4.7839 8.2766 115.9374 55.6863 32.3409 175.1702 62 L 5.1265 7.4453 118.8911 53.0881 43.8395 175.9940 63 Q 4.4516 8.5529 125.4552 54.2343 30.1965 174.3487 64 I 3.4953 8.4379 127.9140 61.6575 37.4643 175.9775 65 L 4.2725 8.0055 127.4344 54.0246 41.7965 176.8071 66 S 4.7137 8.5491 118.6974 55.9342 64.7394 173.8506 67 G 3.8646 8.3174 115.0062 44.4751 0.0000 172.1631 68 P 4.3288 0.0000 0.0000 65.2086 31.7043 177.5756 69 S 4.0625 7.9713 113.8124 59.0784 63.4434 173.8435 70 S 3.6178 8.7137 120.6283 58.9938 60.7121 171.9196 71 G 3.7425 7.9861 111.8023 45.8007 0.0000 173.7264 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 G 8.34 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 2 S 8.20 4.34 0.00 4.06 3.90 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 3 S 8.39 4.32 0.00 3.85 3.81 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 4 G 9.59 4.36 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 0.00 0.00 0.00 5 S 8.32 3.87 0.00 3.99 3.92 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 0.00 0.00 0.00 6 S 8.19 4.06 0.00 3.83 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 7 G 8.02 4.08 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 0.00 0.00 0.00 8 L 8.95 4.61 0.00 1.33 1.42 0.83 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 9 L 8.15 5.20 0.00 1.48 1.46 0.88 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 10 A 8.96 4.84 1.06 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 0.00 0.00 11 R 8.44 4.63 0.00 1.89 1.74 0.00 3.01 0.00 0.00 3.12 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.51 0.00 12 A 7.80 4.47 1.20 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 0.00 0.00 0.00 0.00 0.00 0.00 13 L 8.45 3.75 0.00 1.16 0.88 1.02 0.48 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 14 Y 7.62 4.83 0.00 2.96 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 D 8.86 4.72 0.00 2.77 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 16 N 8.47 4.72 0.00 1.64 1.42 0.00 0.00 6.66 7.61 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 17 C 8.12 4.83 0.00 2.88 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 18 P 0.00 4.43 0.00 2.38 2.05 0.00 3.74 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.05 0.00 19 D 8.55 4.51 0.00 2.64 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 20 C 7.49 4.90 0.00 2.90 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 21 S 8.72 3.97 0.00 3.86 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 D 8.22 4.60 0.00 2.56 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 23 E 7.46 4.65 0.00 1.64 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 2.09 1.75 0.00 24 L 8.99 4.75 0.00 2.00 1.93 1.14 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 25 A 8.68 4.58 1.21 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 0.00 0.00 0.00 0.00 0.00 0.00 26 F 7.46 5.14 0.00 3.12 3.19 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.75 5.01 0.00 4.04 3.80 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 28 R 8.61 3.95 0.00 1.79 1.90 0.00 3.58 0.00 0.00 3.23 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.73 0.00 29 G 8.25 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 30 D 7.76 4.87 0.00 2.77 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 31 I 8.50 4.41 1.86 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 1.33 0.74 0.88 0.00 0.00 32 L 8.53 4.47 0.00 1.43 1.51 0.98 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 33 T 7.98 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 1.19 0.00 0.00 34 I 8.83 4.31 1.65 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.37 0.66 0.00 0.00 35 L 8.80 4.13 0.00 1.65 1.76 0.95 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 36 E 7.96 4.67 0.00 2.02 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 0.00 2.31 2.40 0.00 37 Q 8.77 4.30 0.00 2.06 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.93 7.17 0.00 0.00 0.00 0.00 0.00 2.03 1.76 0.00 38 H 8.12 4.52 0.00 3.13 3.30 0.00 5.69 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 V 7.86 4.27 2.23 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 1.17 0.00 0.00 1.09 0.00 0.00 40 P 0.00 4.49 0.00 2.23 2.21 0.00 3.75 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.92 0.00 41 E 8.24 4.07 0.00 1.96 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.26 0.00 42 S 7.59 4.56 0.00 3.82 3.59 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 E 9.03 4.14 0.00 2.04 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 2.36 2.29 0.00 44 G 9.25 3.56 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 0.00 0.00 0.00 45 W 7.69 5.37 0.00 3.09 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 46 W 9.61 5.31 0.00 3.31 2.92 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 0.00 0.00 0.00 47 K 8.87 4.87 0.00 1.95 1.80 0.00 1.61 0.00 0.00 1.69 0.00 0.00 3.22 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.49 7.81 48 C 8.98 5.99 0.00 3.00 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 49 L 8.23 5.04 0.00 1.67 1.49 0.95 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 50 L 8.50 4.78 0.00 1.78 1.53 0.98 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 51 H 10.12 3.96 0.00 3.26 3.34 0.00 5.90 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 G 8.06 3.88 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 0.00 0.00 0.00 53 R 8.17 4.23 0.00 1.97 2.04 0.00 3.53 0.00 0.00 3.26 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.77 0.00 54 Q 8.16 3.62 0.00 2.22 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.81 0.00 0.00 0.00 0.00 0.00 2.29 2.36 0.00 55 G 7.65 4.36 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 0.00 0.00 0.00 56 L 8.96 5.27 0.00 1.48 1.93 0.63 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 57 A 9.70 5.57 1.51 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 58 P 0.00 3.30 0.00 1.85 1.38 0.00 4.05 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 2.12 1.90 0.00 59 A 7.00 2.94 -0.45 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 0.00 0.00 0.00 0.00 0.00 60 N 7.52 4.45 0.00 2.51 2.76 0.00 0.00 6.42 7.42 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 61 R 8.28 4.78 0.00 1.85 2.20 0.00 3.18 0.00 0.00 3.32 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.53 0.00 62 L 7.45 5.13 0.00 2.00 2.06 0.74 0.84 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 63 Q 8.55 4.45 0.00 2.18 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.94 0.00 0.00 0.00 0.00 0.00 2.27 2.34 0.00 64 I 8.44 3.50 1.82 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.49 0.72 0.00 0.00 65 L 8.01 4.27 0.00 1.52 1.59 0.88 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 66 S 8.55 4.71 0.00 3.75 3.68 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.32 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 P 0.00 4.33 0.00 2.18 2.18 0.00 3.76 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 1.97 1.94 0.00 69 S 7.97 4.06 0.00 3.99 3.92 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 0.00 0.00 0.00 70 S 8.71 3.62 0.00 3.95 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 71 G 7.99 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