NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3652 8.2644 123.5828 51.4663 20.7625 176.2888 3 K 4.2349 7.8243 116.9212 57.0402 35.3489 172.9527 4 H 3.4183 9.6656 109.6422 57.9388 29.7231 174.0268 5 P 4.5114 0.0000 0.0000 63.0529 32.8177 176.0034 6 V 4.5041 7.8088 120.2247 60.6606 34.5478 172.2696 7 P 4.4535 0.0000 0.0000 62.6212 31.9258 176.1900 8 K 4.3205 8.4762 120.7595 56.9180 32.8350 176.4805 9 K 4.5807 7.5762 116.6229 54.8459 36.0639 175.6011 10 K 3.7908 8.7128 124.2579 57.2410 32.5120 175.5001 11 T 4.3642 8.2683 120.3115 60.5025 68.4656 175.0911 12 S 4.2893 8.5411 123.6794 58.7644 64.8517 174.6645 13 K 3.7586 9.1315 121.5345 60.4452 31.7545 179.9145 14 A 3.7846 7.3493 119.3633 55.0491 19.2256 179.4886 15 R 3.9373 8.7756 117.6195 59.2893 29.9394 178.2945 16 R 3.8300 8.0810 118.2763 59.6771 30.2931 177.6170 17 D 4.4773 8.7995 118.3852 57.4715 40.9258 178.8770 18 A 3.9378 8.3906 121.4619 55.3172 18.1513 179.5765 19 R 3.8867 7.7266 115.8176 59.1886 30.2579 177.8857 20 R 3.8990 7.9261 116.6477 55.8211 30.0393 177.9720 21 S 4.2137 7.6727 114.9259 60.4105 62.5166 174.2457 22 H 4.8689 7.7140 118.2960 56.1193 29.8910 175.1115 23 H 4.3751 8.2680 116.2854 56.8682 28.9603 175.7253 24 A 4.0966 7.0872 123.0189 52.5329 18.6877 177.0915 25 L 4.4653 8.2093 120.1352 54.1441 43.0410 176.4928 26 T 4.5058 8.1303 118.5147 61.1931 69.8839 173.3103 27 P 4.4496 0.0000 0.0000 61.4824 32.1718 174.4978 28 P 4.3155 0.0000 0.0000 63.4379 31.8078 175.2299 29 T 4.5080 8.2772 115.0238 61.2935 68.8163 173.3216 30 L 5.0651 8.2931 126.5763 54.0900 46.2624 174.9766 31 V 4.0637 8.8877 112.7644 59.9855 36.2427 172.5250 32 P 3.6629 0.0000 0.0000 62.9777 32.2828 173.5355 33 C 3.5275 8.1379 129.8383 58.6414 30.1883 172.0072 34 P 4.1200 0.0000 0.0000 66.0496 30.8083 177.8501 35 E 4.0878 8.1940 116.7519 58.9194 29.7636 177.8589 36 C 4.7058 7.1598 113.1430 55.7471 41.2207 174.4150 37 K 4.1760 8.4520 119.6678 57.3586 31.6907 177.0664 38 A 4.5141 7.6086 122.3003 52.2569 20.7398 176.9023 39 M 5.1469 8.4020 116.1554 53.7966 35.2891 175.5652 40 K 4.8565 9.1453 122.3654 54.0292 36.8330 173.9357 41 P 4.9781 0.0000 0.0000 61.7844 32.0251 174.4278 42 P 4.2675 0.0000 0.0000 64.1363 31.8618 175.4304 43 H 4.2469 8.6656 114.0214 56.9949 26.3847 174.9235 44 T 4.8000 7.3691 105.6853 59.4833 71.6317 173.8115 45 V 4.1978 8.3739 122.9865 63.2808 32.5765 175.0048 46 C 4.7390 8.6718 124.5715 58.5510 34.3864 174.3259 47 P 4.1955 0.0000 0.0000 63.9907 29.9010 175.1705 48 E 4.5931 8.6072 128.5095 57.0597 37.0049 179.5479 49 C 4.0437 9.8477 124.8563 59.5897 42.1995 177.5653 50 G 3.6269 9.6047 102.7913 46.0160 0.0000 175.9474 51 Y 5.0056 8.6786 121.2028 55.7516 42.3719 173.3469 52 Y 4.1839 9.4870 118.4117 59.1642 38.0971 176.7006 53 A 3.7046 8.5348 127.9170 53.0583 16.4070 176.2669 54 G 4.2390 7.6703 106.9739 43.6621 0.0000 173.4288 55 R 4.4336 8.0326 121.7575 53.8522 31.7673 175.4514 56 K 4.2180 8.4171 121.2549 56.8905 34.1379 174.7188 57 V 2.8119 7.4062 106.6846 63.6192 31.6850 176.6921 58 L 4.4787 8.0529 119.8168 54.7393 46.0760 174.1198 59 E 4.7057 8.4695 118.1641 55.3060 32.2647 175.3123 60 V 3.9643 8.3145 120.4620 63.0798 31.8149 175.0141 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 2 A 8.26 4.37 1.30 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 0.00 0.00 0.00 3 K 7.82 4.23 0.00 1.74 1.68 0.00 1.69 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.30 1.54 7.81 4 H 9.67 3.42 0.00 3.19 3.02 0.00 5.77 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 5 P 0.00 4.51 0.00 2.04 1.97 0.00 3.70 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.05 0.00 6 V 7.81 4.50 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 0.79 0.00 0.00 1.01 0.00 0.00 7 P 0.00 4.45 0.00 2.22 2.03 0.00 3.81 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 8 K 8.48 4.32 0.00 1.73 1.85 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.37 1.45 7.81 9 K 7.58 4.58 0.00 1.73 1.64 0.00 1.84 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.34 1.37 7.81 10 K 8.71 3.79 0.00 1.71 1.74 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.73 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.45 7.81 11 T 8.27 4.36 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 12 S 8.54 4.29 0.00 4.08 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 13 K 9.13 3.76 0.00 1.81 1.88 0.00 1.69 0.00 0.00 1.82 0.00 0.00 2.97 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.54 1.53 7.81 14 A 7.35 3.78 1.30 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 0.00 0.00 0.00 15 R 8.78 3.94 0.00 1.84 1.93 0.00 3.11 0.00 0.00 3.09 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 16 R 8.08 3.83 0.00 1.83 2.23 0.00 3.34 0.00 0.00 3.23 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 17 D 8.80 4.48 0.00 2.77 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 18 A 8.39 3.94 1.36 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 19 R 7.73 3.89 0.00 1.84 2.22 0.00 3.28 0.00 0.00 3.27 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 20 R 7.93 3.90 0.00 1.90 1.80 0.00 3.18 0.00 0.00 3.25 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.74 0.00 21 S 7.67 4.21 0.00 3.93 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 22 H 7.71 4.87 0.00 3.22 3.33 0.00 5.61 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 H 8.27 4.38 0.00 3.23 3.34 0.00 5.68 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 24 A 7.09 4.10 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 25 L 8.21 4.47 0.00 1.65 1.61 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 26 T 8.13 4.51 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 27 P 0.00 4.45 0.00 2.18 2.05 0.00 3.78 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 1.95 0.00 28 P 0.00 4.32 0.00 2.20 2.11 0.00 3.76 0.00 0.00 3.59 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 29 T 8.28 4.51 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 30 L 8.29 5.07 0.00 1.51 1.49 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 31 V 8.89 4.06 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 0.64 0.00 0.00 1.05 0.00 0.00 32 P 0.00 3.66 0.00 1.99 1.97 0.00 3.67 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.10 0.00 33 C 8.14 3.53 0.00 3.07 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 34 P 0.00 4.12 0.00 2.11 2.08 0.00 3.68 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.81 0.00 35 E 8.19 4.09 0.00 2.00 2.06 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 2.33 2.33 0.00 36 C 7.16 4.71 0.00 3.01 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 37 K 8.45 4.18 0.00 1.85 1.89 0.00 1.56 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.43 7.81 38 A 7.61 4.51 1.26 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 0.00 0.00 0.00 39 M 8.40 5.15 0.00 1.85 1.94 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 2.49 2.45 0.00 40 K 9.15 4.86 0.00 1.77 1.85 0.00 1.30 0.00 0.00 1.84 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.29 1.37 7.81 41 P 0.00 4.98 0.00 2.13 2.12 0.00 3.42 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.87 0.00 42 P 0.00 4.27 0.00 2.32 2.08 0.00 3.83 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 2.16 2.15 0.00 43 H 8.67 4.25 0.00 3.32 3.42 0.00 5.64 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 T 7.37 4.80 4.31 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 1.26 0.00 0.00 45 V 8.37 4.20 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.93 0.00 0.00 46 C 8.67 4.74 0.00 2.97 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 47 P 0.00 4.20 0.00 2.15 2.10 0.00 4.06 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.06 0.00 48 E 8.61 4.59 0.00 2.04 1.12 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 2.15 2.24 0.00 49 C 9.85 4.04 0.00 3.04 3.30 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 0.00 50 G 9.60 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.68 5.01 0.00 2.59 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 0.00 0.00 0.00 52 Y 9.49 4.18 0.00 3.17 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 53 A 8.53 3.70 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 54 G 7.67 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 0.00 0.00 0.00 0.00 55 R 8.03 4.43 0.00 1.67 1.74 0.00 3.39 0.00 0.00 3.24 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.62 0.00 56 K 8.42 4.22 0.00 1.94 1.85 0.00 1.55 0.00 0.00 1.78 0.00 0.00 3.12 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.27 1.28 7.81 57 V 7.41 2.81 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 0.72 0.00 0.00 0.98 0.00 0.00 58 L 8.05 4.48 0.00 1.55 1.51 0.92 0.81 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 59 E 8.47 4.71 0.00 2.04 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 2.19 2.30 0.00 60 V 8.31 3.96 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 0.82 0.00 0.00 0.93 0.00 0.00