NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9565 8.3549 109.7367 45.3824 0.0000 173.9062 2 S 4.0489 8.8140 122.5833 60.2359 63.1458 173.4099 3 S 4.6408 8.1096 114.3851 56.3822 66.1122 173.4489 4 G 4.0643 8.4531 114.2305 44.1003 0.0000 172.3498 5 S 4.5502 8.2091 117.9929 57.1932 65.3933 174.2923 6 S 4.8336 8.4831 116.7325 57.0134 65.3186 173.4203 7 G 4.2006 9.0132 112.7855 44.9515 0.0000 174.9657 8 G 3.8717 7.9924 112.6389 45.7299 0.0000 170.9013 9 E 5.0222 7.7953 116.6936 54.7125 34.1524 174.8907 10 A 5.1033 8.0343 119.5105 50.8184 23.9153 175.0021 11 I 4.3151 8.1730 118.6664 59.2033 41.2330 175.1490 12 A 4.1224 8.0541 128.6009 51.8766 17.7654 177.9391 13 K 3.7616 8.8702 122.3715 60.0420 32.7966 176.8298 14 F 5.0284 7.7942 116.2112 56.2047 43.4189 173.1584 15 N 5.2356 9.0138 116.9794 52.3918 37.2554 174.3277 16 F 4.7909 8.7867 124.0965 56.4023 42.2019 173.8006 17 N 5.0410 7.8129 123.3726 50.7256 37.3162 173.8114 18 G 4.0325 8.6882 115.1618 46.0676 0.0000 170.5142 19 D 4.6870 8.6619 121.5583 54.6925 42.9557 176.8144 20 T 4.5637 7.7063 108.1787 59.5852 70.7982 174.9277 21 Q 3.9480 8.8647 125.0056 59.5144 29.4567 177.9816 22 V 3.6928 8.0621 116.8689 66.1308 31.5332 175.6506 23 E 4.8016 7.8727 117.2535 56.2335 30.3399 176.1408 24 M 4.9634 8.4004 121.5275 53.8129 35.0281 174.7819 25 S 4.9296 8.7658 120.0430 56.8546 65.3587 173.2443 26 F 5.0881 7.4299 116.0994 55.2695 41.6101 173.4260 27 R 4.7827 8.6622 120.7245 54.8861 31.9891 175.0962 28 K 4.0754 8.8011 126.4960 59.1230 31.8776 175.0150 29 G 4.1330 8.9918 116.1753 45.7168 0.0000 173.8325 30 E 4.0238 8.2871 118.7803 56.8818 30.8215 176.6718 31 R 4.3235 8.4693 123.4606 55.8573 30.3138 175.6898 32 I 4.2626 7.7633 127.1703 59.9329 38.1319 175.2485 33 T 4.2892 8.3140 125.6600 63.0893 67.5189 173.0270 34 L 4.3063 7.9416 125.0277 55.9044 41.8223 176.1035 35 L 4.7209 8.5562 122.9010 55.7639 43.5451 176.8954 36 R 4.5834 7.6191 112.3107 55.4505 32.6063 173.4075 37 Q 4.7038 8.6544 122.0687 54.7844 29.2673 175.4583 38 V 3.6418 8.1991 126.4565 64.9137 31.3219 175.9642 39 D 5.1138 7.9375 117.5090 52.0325 43.9937 176.4594 40 E 4.1468 8.7193 119.2592 58.8126 29.4543 176.5555 41 N 4.9308 7.6534 113.8032 51.8101 40.0381 174.1727 42 W 5.1195 7.7437 117.5729 56.3706 33.5731 173.6015 43 Y 4.9897 8.7985 123.4468 56.3728 40.1539 174.6168 44 E 4.4696 8.8046 123.5515 54.3812 31.0241 174.9195 45 G 4.5148 7.4537 112.1551 46.3979 0.0000 171.7614 46 R 5.5529 7.7046 115.4194 53.5327 33.3623 174.5123 47 I 4.7773 8.0050 118.6352 58.5044 40.7534 173.5484 48 P 4.4474 0.0000 0.0000 64.2333 31.1992 174.8250 49 G 4.1761 9.4444 112.0504 45.4036 0.0000 173.9975 50 T 4.3435 7.5841 106.2578 60.7663 69.9346 174.3599 51 S 3.7526 7.8065 116.8881 59.4207 61.4327 172.5776 52 R 4.3621 7.7300 117.7174 56.1339 30.9475 175.4501 53 Q 4.8440 7.6879 118.8705 54.8675 31.5765 174.7162 54 G 4.4805 7.3555 111.4248 47.1493 0.0000 171.3385 55 I 4.6664 7.2082 114.7396 59.0596 41.7599 174.5147 56 F 5.0740 7.7529 113.5841 55.4341 41.0849 171.8400 57 P 3.9397 0.0000 0.0000 62.1987 31.9178 176.4211 58 I 4.1459 8.4573 120.8881 64.4624 37.6695 178.9411 59 T 3.9540 7.8546 109.9895 64.5378 69.1873 174.4856 60 Y 4.3017 8.7228 119.4153 60.7232 38.7521 176.6281 61 V 4.5238 8.1665 111.6160 59.6624 33.7535 175.1703 62 D 4.8844 8.8884 125.7188 52.3640 42.4877 175.6279 63 V 4.1575 8.2523 126.2041 61.7806 32.0109 176.5413 64 I 3.8412 8.0841 124.1282 64.0623 37.3563 176.8172 65 S 4.3010 7.8471 115.8542 58.3218 60.8578 173.0135 66 G 3.9917 7.6060 116.2207 44.4398 0.0000 168.4716 67 P 4.4988 0.0000 0.0000 62.3210 32.3603 175.0684 68 S 4.5650 8.2526 112.9145 57.2806 63.1941 173.0079 69 S 4.6069 8.2665 120.6000 56.6564 65.4263 173.7426 70 G 3.7565 8.6579 114.3559 45.8402 0.0000 173.4456 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 8.35 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 0.00 0.00 0.00 2 S 8.81 4.05 0.00 3.96 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 3 S 8.11 4.64 0.00 3.81 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 4 G 8.45 4.06 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 0.00 5 S 8.21 4.55 0.00 3.94 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 6 S 8.48 4.83 0.00 3.84 3.78 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 0.00 0.00 0.00 7 G 9.01 4.20 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 0.00 8 G 7.99 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 9 E 7.80 5.02 0.00 1.87 1.74 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 2.24 2.29 0.00 10 A 8.03 5.10 1.04 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 0.00 0.00 0.00 0.00 0.00 11 I 8.17 4.32 1.77 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.83 0.81 0.00 0.00 12 A 8.05 4.12 1.23 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 0.00 0.00 13 K 8.87 3.76 0.00 1.72 1.42 0.00 1.65 0.00 0.00 1.86 0.00 0.00 2.78 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.31 1.34 7.81 14 F 7.79 5.03 0.00 2.69 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 15 N 9.01 5.24 0.00 2.81 2.93 0.00 0.00 5.80 7.46 0.00 0.00 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 F 8.79 4.79 0.00 2.14 1.68 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 17 N 7.81 5.04 0.00 2.62 2.70 0.00 0.00 5.94 6.81 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 18 G 8.69 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 D 8.66 4.69 0.00 2.56 2.68 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 20 T 7.71 4.56 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 21 Q 8.86 3.95 0.00 2.04 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.01 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 22 V 8.06 3.69 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 0.94 0.00 0.00 0.89 0.00 0.00 23 E 7.87 4.80 0.00 2.21 2.10 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 2.52 2.29 0.00 24 M 8.40 4.96 0.00 2.24 2.08 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.68 0.00 25 S 8.77 4.93 0.00 4.14 3.94 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 26 F 7.43 5.09 0.00 3.09 3.09 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 27 R 8.66 4.78 0.00 1.99 1.89 0.00 3.24 0.00 0.00 3.30 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.68 0.00 28 K 8.80 4.08 0.00 1.88 1.78 0.00 1.69 0.00 0.00 1.69 0.00 0.00 2.89 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.36 1.51 7.81 29 G 8.99 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.29 4.02 0.00 2.03 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 2.42 2.57 0.00 31 R 8.47 4.32 0.00 1.78 1.80 0.00 3.18 0.00 0.00 3.20 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 32 I 7.76 4.26 1.60 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.44 0.83 0.00 0.00 33 T 8.31 4.29 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 34 L 7.94 4.31 0.00 1.60 1.57 0.64 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 35 L 8.56 4.72 0.00 1.55 1.70 0.96 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 36 R 7.62 4.58 0.00 1.86 1.99 0.00 2.95 0.00 0.00 3.27 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 37 Q 8.65 4.70 0.00 2.39 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.82 6.92 0.00 0.00 0.00 0.00 0.00 2.34 2.09 0.00 38 V 8.20 3.64 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 0.71 0.00 0.00 0.89 0.00 0.00 39 D 7.94 5.11 0.00 2.93 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 40 E 8.72 4.15 0.00 1.93 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 2.32 0.00 41 N 7.65 4.93 0.00 2.81 2.53 0.00 0.00 6.66 7.56 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 42 W 7.74 5.12 0.00 3.12 2.97 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 43 Y 8.80 4.99 0.00 3.15 2.87 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 44 E 8.80 4.47 0.00 1.97 1.85 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 2.21 2.27 0.00 45 G 7.45 4.51 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 46 R 7.70 5.55 0.00 2.12 2.07 0.00 3.01 0.00 0.00 3.29 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.44 0.00 47 I 8.00 4.78 1.93 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.64 0.95 0.00 0.00 48 P 0.00 4.45 0.00 2.08 2.07 0.00 3.74 0.00 0.00 3.71 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 49 G 9.44 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 0.00 0.00 0.00 50 T 7.58 4.34 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 1.24 0.00 0.00 51 S 7.81 3.75 0.00 4.01 3.94 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 52 R 7.73 4.36 0.00 1.93 1.91 0.00 3.19 0.00 0.00 3.32 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.85 0.00 53 Q 7.69 4.84 0.00 1.99 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.92 0.00 0.00 0.00 0.00 0.00 2.27 2.39 0.00 54 G 7.36 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.21 4.67 1.88 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.71 0.79 0.00 0.00 56 F 7.75 5.07 0.00 3.08 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 57 P 0.00 3.94 0.00 1.95 1.25 0.00 3.25 0.00 0.00 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.20 0.00 58 I 8.46 4.15 1.90 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.71 1.16 0.00 0.00 59 T 7.85 3.95 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 60 Y 8.72 4.30 0.00 3.38 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 61 V 8.17 4.52 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 -0.20 0.00 0.00 1.15 0.00 0.00 62 D 8.89 4.88 0.00 2.68 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 V 8.25 4.16 1.89 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 0.83 0.00 0.00 0.93 0.00 0.00 64 I 8.08 3.84 1.83 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 1.14 0.38 0.88 0.00 0.00 65 S 7.85 4.30 0.00 3.79 3.77 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 0.00 0.00 0.00 66 G 7.61 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 67 P 0.00 4.50 0.00 2.20 2.11 0.00 3.77 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 68 S 8.25 4.56 0.00 3.85 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 S 8.27 4.61 0.00 3.81 3.64 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 70 G 8.66 3.76 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 0.00 0.00 0.00