NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 C 4.5167 8.3293 115.5960 57.2870 31.3226 172.9046 9 F 4.7303 6.8935 112.9867 55.1514 40.2775 172.3533 10 A 4.1688 8.5657 125.6411 52.8448 19.9099 179.3069 11 T 4.7015 8.3013 110.6032 61.7071 69.3146 176.7164 12 L 4.0480 7.8903 123.9250 58.3050 41.6669 179.3543 13 G 3.6443 8.1484 104.9533 47.8119 0.0000 175.3207 14 A 4.0783 8.0953 122.7330 55.2218 18.1695 179.7366 15 T 3.8235 7.5889 113.4196 66.7866 68.7847 176.6273 16 L 3.9028 7.8314 120.8704 57.6193 41.4732 179.4825 17 Q 4.3400 8.3019 118.1534 59.3215 28.5766 178.5835 18 D 4.6044 8.1742 117.4238 56.1433 41.1585 177.7185 19 S 4.6294 7.9430 115.3074 57.1841 63.2363 173.8340 20 I 4.1520 7.1651 124.3694 62.8325 37.1556 176.6565 21 G 3.9846 9.5319 114.3841 44.9547 0.0000 173.1485 22 K 4.6578 7.7793 118.9639 54.4612 35.2478 175.4896 23 Q 4.7408 8.4613 123.2855 56.3239 30.5576 175.1053 24 V 4.9834 9.0369 118.3962 59.5468 36.6060 173.9121 25 L 5.0926 8.9191 125.2532 53.5278 44.3781 175.3031 26 V 4.8554 9.1554 125.7498 61.0477 34.7647 174.1287 27 K 4.8703 7.8669 126.1367 54.5440 34.8602 175.1238 28 L 5.1623 8.5995 122.6665 52.3321 46.0647 176.0142 29 R 3.8756 8.4835 119.0836 56.9857 30.8577 176.3169 30 D 4.3428 9.0209 117.1241 56.0436 38.1121 173.9871 31 S 3.7175 8.1365 109.8338 59.9177 60.7594 172.1005 32 H 4.7562 7.6418 115.3494 54.8234 30.7314 174.5062 33 E 5.0008 8.6288 121.9491 54.6565 32.8065 174.1709 34 I 5.2015 9.1924 127.0350 59.6754 42.0240 174.5853 35 R 5.0771 8.6667 123.0771 54.7388 34.3437 174.7386 36 G 4.2135 8.3742 107.9191 45.9662 0.0000 171.9188 37 I 4.7522 8.5166 121.5845 59.9232 38.7034 175.6214 38 L 4.3279 8.8058 130.4214 55.5038 42.2044 177.1793 39 R 4.6946 8.8530 125.7965 57.3559 32.2588 176.1300 40 S 4.7259 7.7841 111.2127 57.8314 65.8286 173.2860 41 F 5.7775 8.0276 116.8807 57.4455 40.4932 171.9795 42 D 4.8895 8.4311 118.2055 51.2220 42.3387 176.1226 43 Q 4.1410 8.5763 115.8657 59.1299 28.9234 176.5447 44 H 4.5719 8.4154 115.4934 55.4077 28.7781 176.0757 45 V 3.4674 8.0079 117.7494 63.5754 30.6631 171.5082 46 N 4.8807 8.2628 115.4590 53.0409 39.6855 173.9968 47 L 5.3451 9.2230 122.3212 52.8319 46.3018 175.0782 48 L 5.1528 8.8476 123.4687 53.4208 44.4748 175.1862 49 L 5.3811 9.3925 126.1043 53.0444 45.4391 175.3782 50 E 4.9925 8.9208 120.5347 54.7643 33.5793 175.4678 51 D 4.4815 8.7317 117.9609 55.3452 38.8876 174.1093 52 A 4.8133 8.1471 119.7477 51.9623 20.2350 177.3226 53 E 5.1289 9.4622 116.6507 55.0879 33.6126 173.9063 54 E 5.0057 9.1597 121.1998 55.2276 31.9724 175.0888 55 I 4.8177 8.5186 124.7506 59.7410 39.3085 175.7360 56 I 4.3807 8.4928 128.3928 60.1408 39.3404 175.4461 57 D 4.4813 9.8394 127.6114 55.2723 38.1617 175.3515 58 G 4.0109 8.4535 107.3676 45.5167 0.0000 174.2793 59 N 4.3499 7.8708 117.3754 52.7581 39.2430 174.1526 60 V 4.5522 7.6585 120.4155 61.4583 34.0949 174.2951 61 Y 4.7046 8.7498 127.1551 55.9409 39.8236 175.6254 62 K 4.4348 8.8104 124.8250 56.7092 32.2167 177.3281 63 R 4.4638 9.5933 122.8303 54.1281 33.2875 177.0147 64 G 4.0131 8.4877 106.1270 45.5854 0.0000 175.9131 65 T 4.7408 8.5194 120.0771 63.1057 69.2202 172.4604 66 M 4.7617 9.2856 125.5759 53.9464 36.1604 173.4896 67 V 4.6831 8.5030 125.7328 61.3196 33.4108 174.6182 68 V 4.4263 8.8280 128.5127 60.9162 33.8870 174.9703 69 R 4.5939 8.6144 127.3491 55.7618 30.8099 177.9467 70 G 4.0991 9.6568 112.3397 47.8349 0.0000 175.1864 71 E 3.8926 8.2892 119.9242 58.8431 29.7893 176.9548 72 N 4.7170 7.7824 112.7479 52.7869 39.1663 174.8605 73 V 3.9186 7.5894 119.8277 62.9975 32.2306 175.3089 74 L 4.5352 8.7469 128.4146 56.6081 42.3407 176.6756 75 F 5.0603 7.2604 111.3495 55.8993 41.4643 172.5317 76 I 5.1705 8.5047 119.5501 59.7358 40.5460 174.9490 77 S 4.5667 9.5746 121.6291 55.6232 65.2789 171.3405 78 P 4.6951 0.0000 0.0000 62.9221 31.8075 176.3758 79 V 3.7362 8.6678 125.5563 61.8995 31.9942 174.2883 80 P 4.4231 0.0000 0.0000 63.0756 31.1745 176.1411 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 8 C 8.33 4.52 0.00 3.14 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 9 F 6.89 4.73 0.00 3.21 3.06 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 10 A 8.57 4.17 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 11 T 8.30 4.70 4.30 0.00 0.00 0.00 0.00 0.00 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 12 L 7.89 4.05 0.00 1.77 1.74 0.93 0.88 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 13 G 8.15 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 0.00 0.00 0.00 14 A 8.10 4.08 1.46 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 0.00 0.00 0.00 0.00 0.00 0.00 15 T 7.59 3.82 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 1.18 0.00 0.00 16 L 7.83 3.90 0.00 0.93 0.37 0.43 0.58 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 17 Q 8.30 4.34 0.00 2.38 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.83 0.00 0.00 0.00 0.00 0.00 2.62 2.92 0.00 18 D 8.17 4.60 0.00 2.82 2.74 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 19 S 7.94 4.63 0.00 3.93 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 20 I 7.17 4.15 2.00 0.00 0.00 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 1.60 0.86 0.96 0.00 0.00 21 G 9.53 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.78 4.66 0.00 1.81 1.72 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.83 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.38 1.48 7.81 23 Q 8.46 4.74 0.00 2.15 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.80 0.00 0.00 0.00 0.00 0.00 2.44 2.50 0.00 24 V 9.04 4.98 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 0.77 0.00 0.00 1.03 0.00 0.00 25 L 8.92 5.09 0.00 1.79 1.78 1.08 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 26 V 9.16 4.86 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.94 0.00 0.00 27 K 7.87 4.87 0.00 0.79 1.27 0.00 1.64 0.00 0.00 1.57 0.00 0.00 3.01 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.15 0.93 7.81 28 L 8.60 5.16 0.00 1.51 1.61 0.86 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 29 R 8.48 3.88 0.00 1.70 1.88 0.00 3.46 0.00 0.00 3.22 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.77 0.00 30 D 9.02 4.34 0.00 2.92 2.78 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 31 S 8.14 3.72 0.00 3.93 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 32 H 7.64 4.76 0.00 3.08 3.19 0.00 5.56 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 E 8.63 5.00 0.00 1.97 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 0.00 2.27 2.31 0.00 34 I 9.19 5.20 1.86 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 1.25 0.58 0.92 0.00 0.00 35 R 8.67 5.08 0.00 1.72 1.78 0.00 3.18 0.00 0.00 3.19 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.57 0.00 36 G 8.37 4.21 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 0.00 37 I 8.52 4.75 1.97 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 1.13 0.83 0.91 0.00 0.00 38 L 8.81 4.33 0.00 1.82 1.77 1.05 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 39 R 8.85 4.69 0.00 1.72 1.96 0.00 3.43 0.00 0.00 3.18 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.80 0.00 40 S 7.78 4.73 0.00 3.85 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 F 8.03 5.78 0.00 3.14 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.43 4.89 0.00 2.85 2.77 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 43 Q 8.58 4.14 0.00 2.15 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 7.22 0.00 0.00 0.00 0.00 0.00 1.87 2.15 0.00 44 H 8.42 4.57 0.00 3.39 3.38 0.00 5.72 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 V 8.01 3.47 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 0.72 0.00 0.00 0.96 0.00 0.00 46 N 8.26 4.88 0.00 3.04 2.76 0.00 0.00 6.80 6.74 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 47 L 9.22 5.35 0.00 1.55 1.57 0.93 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 48 L 8.85 5.15 0.00 1.75 1.60 0.99 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 49 L 9.39 5.38 0.00 1.57 1.53 0.93 0.89 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 50 E 8.92 4.99 0.00 1.88 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 2.26 0.00 51 D 8.73 4.48 0.00 2.81 2.74 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 52 A 8.15 4.81 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 53 E 9.46 5.13 0.00 1.97 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 2.35 2.31 0.00 54 E 9.16 5.01 0.00 2.16 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 2.31 2.34 0.00 55 I 8.52 4.82 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.46 0.91 0.00 0.00 56 I 8.49 4.38 2.13 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.91 0.98 0.00 0.00 57 D 9.84 4.48 0.00 2.83 2.74 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 58 G 8.45 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 59 N 7.87 4.35 0.00 2.84 2.04 0.00 0.00 6.21 7.20 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 60 V 7.66 4.55 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 0.78 0.00 0.00 0.86 0.00 0.00 61 Y 8.75 4.70 0.00 3.00 2.85 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 62 K 8.81 4.43 0.00 1.68 1.78 0.00 1.72 0.00 0.00 1.83 0.00 0.00 2.94 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.45 1.43 7.81 63 R 9.59 4.46 0.00 1.62 1.94 0.00 3.35 0.00 0.00 3.27 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.71 0.00 64 G 8.49 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 65 T 8.52 4.74 4.25 0.00 0.00 0.00 0.00 0.00 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 66 M 9.29 4.76 0.00 2.01 1.84 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.47 0.00 67 V 8.50 4.68 2.08 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 0.83 0.00 0.00 0.94 0.00 0.00 68 V 8.83 4.43 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 0.93 0.00 0.00 0.93 0.00 0.00 69 R 8.61 4.59 0.00 1.91 1.84 0.00 3.18 0.00 0.00 3.33 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.62 0.00 70 G 9.66 4.10 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 0.00 0.00 0.00 71 E 8.29 3.89 0.00 1.94 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 2.29 2.35 0.00 72 N 7.78 4.72 0.00 2.89 2.79 0.00 0.00 6.56 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 73 V 7.59 3.92 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 0.77 0.00 0.00 0.95 0.00 0.00 74 L 8.75 4.54 0.00 1.35 1.69 0.88 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 75 F 7.26 5.06 0.00 2.98 3.12 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 0.00 0.00 0.00 0.00 76 I 8.50 5.17 1.90 0.00 0.00 0.83 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 0.71 0.92 0.00 0.00 77 S 9.57 4.57 0.00 3.70 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 78 P 0.00 4.70 0.00 1.97 1.99 0.00 3.72 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.09 0.00 79 V 8.67 3.74 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 0.74 0.00 0.00 1.03 0.00 0.00 80 P 0.00 4.42 0.00 2.07 1.96 0.00 3.76 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00