NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.3918 0.0000 0.0000 62.7604 33.5471 174.6706 2 Y 4.9142 8.6281 118.1413 55.4566 40.4516 169.8581 3 V 4.5003 10.0567 126.5078 61.3935 34.5756 173.8641 4 T 5.1768 8.7578 124.3619 61.8482 70.9242 173.6153 5 V 4.3148 9.1241 127.0928 60.9915 33.8114 173.9859 6 K 5.1827 8.6785 129.8082 54.9324 33.7209 174.7673 7 M 4.7993 8.9421 124.0520 53.5217 35.1875 174.2904 8 L 4.5555 8.2580 119.1152 54.5831 42.4739 177.2023 9 E 3.9943 8.6511 121.5691 57.1994 29.6718 175.9447 10 G 3.5948 9.0813 112.9799 46.0978 0.0000 175.3480 11 R 4.2265 7.6989 118.7132 56.1943 30.8282 177.0073 12 T 4.2855 9.0698 112.4543 61.0638 71.2028 175.4860 13 D 4.3026 8.5052 120.1977 57.3478 41.1949 177.7999 14 E 3.8855 8.1008 119.3043 59.4571 29.6735 178.4638 15 Q 4.0132 8.1618 118.0249 59.1651 28.8027 179.3575 16 K 3.9589 8.0457 119.2939 59.3936 32.1378 179.4088 17 R 3.8991 7.9542 119.0716 59.5291 30.0088 178.3989 18 N 4.3892 8.3418 116.3807 55.8224 38.4899 177.1413 19 L 3.8670 8.0531 122.0851 58.1905 42.2462 178.9962 20 V 3.5448 7.7984 118.0329 66.1009 31.3896 177.4887 21 E 3.8470 8.0520 118.4910 59.2338 29.5457 178.7480 22 K 3.8839 8.5493 118.6548 59.6408 32.3485 179.5216 23 V 3.5925 8.1973 118.7223 66.3263 31.2984 178.2087 24 T 3.9357 8.0870 118.0079 67.2458 68.2150 177.2463 25 E 3.9570 8.2787 120.1195 60.9758 29.8665 180.9449 26 A 4.1691 8.1898 121.5761 54.8527 18.3736 180.0800 27 V 3.5640 7.5760 116.4153 65.9081 31.5996 177.8549 28 K 4.0713 8.1974 123.4509 59.7262 31.8225 178.9463 29 E 4.1431 8.2642 115.8333 59.8669 29.8404 179.4167 30 T 4.6783 7.2577 108.5291 62.8050 68.4636 174.3463 31 T 4.4519 8.0206 107.5624 60.9382 70.2359 175.0789 32 G 3.8955 8.0230 110.4379 44.9852 0.0000 173.8494 33 A 4.1192 7.6436 122.9106 52.1253 19.2398 176.5921 34 S 4.7261 8.2951 114.7058 56.7342 65.1093 175.0371 35 E 3.8193 8.9554 123.7024 59.8545 29.2362 178.9754 36 E 4.1984 8.1171 112.1306 57.2083 29.6914 176.9471 37 K 4.3431 8.3578 118.0852 56.2065 33.0598 175.4508 38 I 4.3876 7.4822 121.0266 59.5454 38.6176 175.2141 39 V 4.2512 8.3192 127.4864 60.7975 34.2536 174.3253 40 V 4.8920 8.0321 126.3658 61.1083 34.0840 174.2635 41 F 4.9571 9.8034 126.8909 55.7762 41.7727 174.4274 42 I 4.9757 8.5109 123.2378 59.6003 39.4459 174.7498 43 E 4.6950 9.5317 126.3469 54.6332 32.6386 174.5968 44 E 5.1285 8.9033 124.0609 55.1736 31.5336 175.4282 45 M 4.7323 8.8576 123.2422 53.8325 35.4938 174.9878 46 R 4.9481 8.2103 118.9350 54.4939 32.4420 178.0466 47 K 4.0114 8.8530 121.7701 59.1934 32.2907 178.0344 48 D 5.0414 7.9459 115.3556 53.0155 39.6671 176.1932 49 H 4.9387 8.5460 115.4823 55.6367 30.0875 172.6319 50 Y 4.8332 7.9660 120.8819 55.6712 41.1563 173.8799 51 A 4.8867 8.1203 128.6766 50.1540 22.5598 174.9980 52 V 4.1087 7.7338 118.9601 61.9967 34.4723 175.6030 53 A 3.3918 9.4322 129.0805 53.4397 15.7836 178.0910 54 G 3.8632 8.4377 105.7591 46.8753 0.0000 174.1693 55 K 4.4771 7.5894 119.7675 53.9771 34.4596 176.3021 56 R 4.4328 8.3483 123.0290 55.8890 31.0341 177.8303 57 L 4.0457 8.6870 121.4089 57.9642 42.0511 180.1222 58 S 4.2092 8.2207 113.0053 60.6534 62.9584 175.1235 59 D 4.8345 7.7801 119.0037 54.1194 40.9871 175.9798 60 M 4.3191 7.7838 120.4827 54.5757 32.8018 176.0372 61 E 4.2374 8.6413 122.9737 56.2930 30.0545 175.2712 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 P 0.00 4.39 0.00 2.09 2.23 0.00 3.57 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.96 0.00 2 Y 8.63 4.91 0.00 3.06 3.28 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 0.00 3 V 10.06 4.50 2.12 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 1.02 0.00 0.00 0.95 0.00 0.00 4 T 8.76 5.18 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 5 V 9.12 4.31 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 0.78 0.00 0.00 0.96 0.00 0.00 6 K 8.68 5.18 0.00 1.77 1.64 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.25 1.37 7.81 7 M 8.94 4.80 0.00 2.02 2.04 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.50 0.00 8 L 8.26 4.56 0.00 1.51 1.62 0.95 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 9 E 8.65 3.99 0.00 1.84 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 2.34 2.53 0.00 10 G 9.08 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 0.00 0.00 0.00 11 R 7.70 4.23 0.00 1.79 1.88 0.00 3.25 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.83 0.00 12 T 9.07 4.29 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 13 D 8.51 4.30 0.00 2.80 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.10 3.89 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 2.37 2.34 0.00 15 Q 8.16 4.01 0.00 2.31 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 16 K 8.05 3.96 0.00 1.98 1.85 0.00 1.67 0.00 0.00 1.57 0.00 0.00 3.00 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.46 1.65 7.81 17 R 7.95 3.90 0.00 1.88 2.29 0.00 3.20 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 18 N 8.34 4.39 0.00 2.97 2.84 0.00 0.00 6.64 6.24 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 19 L 8.05 3.87 0.00 1.85 1.88 0.92 1.03 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 20 V 7.80 3.54 2.20 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 0.90 0.00 0.00 0.94 0.00 0.00 21 E 8.05 3.85 0.00 2.26 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 2.29 2.33 0.00 22 K 8.55 3.88 0.00 1.84 1.84 0.00 1.73 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.53 1.59 7.81 23 V 8.20 3.59 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 1.03 0.00 0.00 0.93 0.00 0.00 24 T 8.09 3.94 4.37 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 1.17 0.00 0.00 25 E 8.28 3.96 0.00 1.99 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 2.24 2.20 0.00 26 A 8.19 4.17 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.58 3.56 2.20 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 0.95 0.00 0.00 0.98 0.00 0.00 28 K 8.20 4.07 0.00 1.89 2.00 0.00 1.70 0.00 0.00 1.76 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.43 7.81 29 E 8.26 4.14 0.00 2.11 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 2.26 2.18 0.00 30 T 7.26 4.68 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 1.31 0.00 0.00 31 T 8.02 4.45 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 1.24 0.00 0.00 32 G 8.02 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 0.00 0.00 0.00 33 A 7.64 4.12 1.24 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 0.00 0.00 0.00 34 S 8.30 4.73 0.00 4.05 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 35 E 8.96 3.82 0.00 2.02 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 2.38 2.32 0.00 36 E 8.12 4.20 0.00 2.04 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 0.00 2.25 2.25 0.00 37 K 8.36 4.34 0.00 1.78 1.75 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.33 1.48 7.81 38 I 7.48 4.39 1.90 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 1.02 0.68 0.83 0.00 0.00 39 V 8.32 4.25 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 0.31 0.00 0.00 0.77 0.00 0.00 40 V 8.03 4.89 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 0.88 0.00 0.00 0.88 0.00 0.00 41 F 9.80 4.96 0.00 3.05 2.94 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 42 I 8.51 4.98 1.90 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 1.36 0.61 0.93 0.00 0.00 43 E 9.53 4.69 0.00 1.83 1.81 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 2.22 2.29 0.00 44 E 8.90 5.13 0.00 1.84 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 2.22 2.32 0.00 45 M 8.86 4.73 0.00 1.91 1.83 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.46 0.00 46 R 8.21 4.95 0.00 1.64 2.00 0.00 3.06 0.00 0.00 3.19 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 47 K 8.85 4.01 0.00 1.85 2.00 0.00 1.67 0.00 0.00 1.90 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.59 1.47 7.81 48 D 7.95 5.04 0.00 2.82 2.79 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 49 H 8.55 4.94 0.00 3.24 3.36 0.00 5.79 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 50 Y 7.97 4.83 0.00 2.93 2.82 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 0.00 0.00 0.00 51 A 8.12 4.89 1.09 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 0.00 0.00 52 V 7.73 4.11 1.93 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 0.91 0.00 0.00 0.56 0.00 0.00 53 A 9.43 3.39 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 54 G 8.44 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 55 K 7.59 4.48 0.00 1.86 1.66 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.31 1.48 7.81 56 R 8.35 4.43 0.00 1.87 2.02 0.00 3.27 0.00 0.00 3.35 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.64 0.00 57 L 8.69 4.05 0.00 2.03 1.79 0.91 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 58 S 8.22 4.21 0.00 4.05 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 59 D 7.78 4.83 0.00 2.83 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 60 M 7.78 4.32 0.00 2.02 2.08 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.45 0.00 61 E 8.64 4.24 0.00 1.88 1.76 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 2.17 2.25 0.00