NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.3911 8.1749 117.3237 62.5116 70.0023 173.4538 2 P 4.1963 0.0000 0.0000 62.3849 32.6130 174.0791 3 D 4.5695 8.8287 123.5576 54.8943 41.2846 176.0572 4 C 4.8006 8.9397 123.7299 57.9283 43.0817 174.2194 5 V 4.5204 7.0527 114.5668 61.0704 33.8544 172.4337 6 T 4.9703 9.1562 118.5890 61.1082 72.3276 174.4101 7 G 3.8232 7.7915 111.2531 46.0163 0.0000 171.5789 8 K 4.7835 7.9733 117.8101 54.4695 33.2880 176.7700 9 V 3.7794 8.1065 121.7633 62.4344 31.8220 175.6830 10 E 4.1246 9.0513 129.8967 59.0033 29.9593 175.9797 11 Y 5.0608 6.9407 114.3002 56.2417 40.9753 173.1735 12 T 5.0671 8.6687 110.1951 59.9616 72.2639 172.8860 13 K 4.5722 8.4748 122.9222 55.0112 36.2909 174.2269 14 Y 4.7156 8.5868 127.7014 56.1774 40.2847 174.7686 15 N 4.5982 8.2038 124.5135 52.2605 39.6433 176.0788 16 D 4.5614 8.6508 119.6716 56.4951 41.3441 176.5364 17 D 4.8600 7.7724 117.2780 53.3476 39.7095 176.3645 18 D 4.0414 8.1380 116.1844 55.1575 39.5982 174.0086 19 T 4.5193 7.8215 110.4112 60.9972 71.3101 173.2345 20 F 5.2255 9.1027 124.6827 56.8624 41.7884 174.2146 21 T 5.1265 8.4580 123.5636 62.4826 70.5155 174.2254 22 V 4.6924 9.1856 124.6403 59.6831 34.9842 174.4398 23 K 4.3148 8.4501 124.9582 54.7139 34.1623 174.8821 24 V 4.4503 7.9869 127.4975 61.7351 34.6807 174.7984 25 G 3.7867 8.3479 116.0148 47.2880 0.0000 173.9717 26 D 4.7620 8.7750 124.1382 52.6565 40.1520 175.8685 27 K 4.8296 7.6988 119.1990 54.8262 35.8727 175.0161 28 E 4.6341 8.9050 122.9281 54.7858 31.6494 174.5975 29 L 5.4840 8.6518 127.1465 52.8513 45.4267 175.6943 30 F 5.5690 8.5463 114.9165 55.5671 41.7377 173.5063 31 T 4.5349 8.7994 113.5724 60.0006 71.0762 173.5827 32 N 5.3103 8.5912 120.7502 52.5183 37.8391 174.5311 33 R 4.2669 7.9419 119.5262 55.5615 29.7964 177.4321 34 W 4.3700 8.9027 124.6468 59.7442 29.3145 178.1658 35 N 4.3985 8.3343 116.2595 56.3610 38.0437 177.1247 36 L 3.9410 7.8699 119.8710 57.1920 41.7540 179.1812 37 Q 2.9586 7.5994 119.0787 58.9879 28.7925 179.4513 38 S 4.1832 7.7834 113.7738 60.7441 63.3052 176.2698 39 L 3.8761 7.2571 121.9033 57.7804 41.3284 179.2899 40 L 4.3369 8.6288 119.3319 57.6517 41.4778 179.3281 41 L 4.1385 8.0260 120.2106 58.2343 42.0246 179.1851 42 S 4.1175 8.1098 114.7008 61.4729 62.7081 176.5280 43 A 4.0613 8.0952 123.5965 54.9556 17.6041 179.4809 44 Q 3.9345 8.3509 118.3111 59.4876 28.9817 178.6098 45 I 3.8138 7.8962 119.9948 64.4030 37.2623 177.7193 46 T 4.3857 7.8960 107.3904 61.1964 68.8120 174.9628 47 G 3.9213 7.6539 107.9307 46.9495 0.0000 174.1557 48 M 4.4034 7.9129 119.1599 55.4401 33.7213 175.2861 49 T 4.7312 8.7241 117.4187 62.2488 70.7049 174.5699 50 V 4.8368 9.1815 119.8243 59.7969 35.5962 174.7737 51 T 4.8114 8.3271 118.4559 61.9013 72.0053 173.0060 52 I 4.5107 8.6651 127.8271 59.4804 39.2132 174.6817 53 K 5.1687 7.9838 126.7962 54.0930 33.7323 175.9060 54 T 4.1157 7.8572 116.9045 62.1714 69.4023 172.4948 55 N 4.4529 9.1095 123.1123 55.0507 39.5854 176.0693 56 A 4.3583 7.8260 124.4907 51.1302 17.8686 177.3793 57 C 4.7227 7.5979 125.5735 54.7893 44.4485 171.7388 58 H 5.0534 7.0834 116.3490 53.4220 31.9173 172.9651 59 N 4.3385 8.8024 117.1597 55.5224 38.6273 175.4147 60 G 4.0298 9.3110 110.8201 46.0087 0.0000 173.4579 61 G 3.9960 7.5171 106.8906 44.1097 0.0000 173.9995 62 G 4.1212 8.1997 108.1905 45.4513 0.0000 172.8484 63 F 5.1542 7.4983 113.7525 55.5969 40.4558 174.4546 64 S 4.6135 9.0375 113.9812 57.8012 65.2026 173.6858 65 E 4.8563 8.2660 120.4081 54.4348 32.0691 175.1792 66 V 4.8199 8.3756 122.7024 61.1436 35.4019 174.1731 67 I 4.3998 8.4183 125.9084 59.4023 40.5847 174.6597 68 F 5.0112 8.8338 125.1252 56.0891 40.3776 175.8647 69 R 4.3546 8.6561 122.7968 56.1131 30.4345 176.3380 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 T 8.17 4.39 4.23 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 1.20 0.00 0.00 2 P 0.00 4.20 0.00 2.13 1.96 0.00 3.61 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.16 0.00 3 D 8.83 4.57 0.00 2.50 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 4 C 8.94 4.80 0.00 2.85 3.17 0.00 0.00 0.00 0.00 0.00 0.00 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 7.05 4.52 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 0.59 0.00 0.00 0.88 0.00 0.00 6 T 9.16 4.97 4.19 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 1.20 0.00 0.00 7 G 7.79 3.82 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 0.00 0.00 0.00 8 K 7.97 4.78 0.00 1.75 1.75 0.00 1.81 0.00 0.00 2.38 0.00 0.00 2.90 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.37 7.81 9 V 8.11 3.78 2.13 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 0.77 0.00 0.00 0.98 0.00 0.00 10 E 9.05 4.12 0.00 1.90 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 2.44 2.28 0.00 11 Y 6.94 5.06 0.00 3.05 3.03 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 12 T 8.67 5.07 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 1.36 0.00 0.00 13 K 8.47 4.57 0.00 1.83 1.61 0.00 1.65 0.00 0.00 1.75 0.00 0.00 2.80 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.32 1.38 7.81 14 Y 8.59 4.72 0.00 3.28 2.91 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 0.00 0.00 0.00 15 N 8.20 4.60 0.00 2.88 2.60 0.00 0.00 6.23 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 16 D 8.65 4.56 0.00 2.63 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 17 D 7.77 4.86 0.00 2.77 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.14 4.04 0.00 3.18 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 T 7.82 4.52 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 1.24 0.00 0.00 20 F 9.10 5.23 0.00 3.01 2.98 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 21 T 8.46 5.13 4.22 0.00 0.00 0.00 0.00 0.00 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 22 V 9.19 4.69 2.31 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 0.63 0.00 0.00 1.03 0.00 0.00 23 K 8.45 4.31 0.00 0.90 0.74 0.00 1.54 0.00 0.00 1.50 0.00 0.00 3.06 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.82 1.08 7.81 24 V 7.99 4.45 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 0.82 0.00 0.00 0.81 0.00 0.00 25 G 8.35 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 0.00 0.00 0.00 26 D 8.77 4.76 0.00 2.77 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 K 7.70 4.83 0.00 1.63 1.68 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.32 1.44 7.81 28 E 8.90 4.63 0.00 2.05 1.98 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 2.26 2.28 0.00 29 L 8.65 5.48 0.00 1.63 1.76 0.74 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 30 F 8.55 5.57 0.00 3.17 3.18 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 31 T 8.80 4.53 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 1.16 0.00 0.00 32 N 8.59 5.31 0.00 2.91 3.02 0.00 0.00 6.10 7.66 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 33 R 7.94 4.27 0.00 1.89 1.96 0.00 3.30 0.00 0.00 3.15 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.71 0.00 34 W 8.90 4.37 0.00 3.37 3.18 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 35 N 8.33 4.40 0.00 2.78 2.91 0.00 0.00 7.18 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 36 L 7.87 3.94 0.00 1.88 1.87 1.03 1.09 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 37 Q 7.60 2.96 0.00 1.85 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.82 0.00 0.00 0.00 0.00 0.00 1.29 2.11 0.00 38 S 7.78 4.18 0.00 3.99 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 39 L 7.26 3.88 0.00 1.93 1.47 0.94 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 40 L 8.63 4.34 0.00 1.97 2.06 1.40 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 41 L 8.03 4.14 0.00 1.96 1.71 1.12 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 42 S 8.11 4.12 0.00 4.12 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 43 A 8.10 4.06 1.62 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 0.00 0.00 44 Q 8.35 3.93 0.00 2.32 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.75 0.00 0.00 0.00 0.00 0.00 2.42 2.63 0.00 45 I 7.90 3.81 2.01 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 1.61 0.69 0.93 0.00 0.00 46 T 7.90 4.39 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 1.25 0.00 0.00 47 G 7.65 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 0.00 0.00 0.00 48 M 7.91 4.40 0.00 2.25 2.13 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.58 0.00 49 T 8.72 4.73 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 1.22 0.00 0.00 50 V 9.18 4.84 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.79 0.00 0.00 51 T 8.33 4.81 4.12 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 1.11 0.00 0.00 52 I 8.67 4.51 1.52 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.30 0.07 0.00 0.00 53 K 7.98 5.17 0.00 1.60 1.72 0.00 1.68 0.00 0.00 1.49 0.00 0.00 3.08 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.33 1.12 7.81 54 T 7.86 4.12 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 1.15 0.00 0.00 55 N 9.11 4.45 0.00 2.75 2.86 0.00 0.00 6.90 7.35 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 56 A 7.83 4.36 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 57 C 7.60 4.72 0.00 2.91 3.03 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 58 H 7.08 5.05 0.00 3.37 3.35 0.00 5.74 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 59 N 8.80 4.34 0.00 2.78 2.90 0.00 0.00 6.98 7.65 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 60 G 9.31 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 61 G 7.52 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.20 4.12 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 0.00 0.00 0.00 63 F 7.50 5.15 0.00 2.83 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 64 S 9.04 4.61 0.00 3.84 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 65 E 8.27 4.86 0.00 1.89 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 2.30 2.29 0.00 66 V 8.38 4.82 1.72 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 0.25 0.00 0.00 1.06 0.00 0.00 67 I 8.42 4.40 1.74 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 1.17 0.54 0.87 0.00 0.00 68 F 8.83 5.01 0.00 2.95 2.99 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 69 R 8.66 4.35 0.00 1.77 1.80 0.00 3.14 0.00 0.00 3.21 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00