NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 H 4.2511 8.4449 120.3564 56.0471 30.9626 172.3816 3 Y 4.6155 8.1784 120.7132 55.9755 39.3592 172.4362 4 E 4.2126 9.4333 122.3852 56.5374 31.1022 176.2711 5 E 4.6173 8.6194 121.1342 55.1783 33.5127 174.8751 6 G 3.7769 8.8168 105.9938 43.5162 0.0000 171.1511 7 P 4.3137 0.0000 0.0000 64.2576 31.4056 177.3126 8 G 3.8719 8.8738 109.6827 45.8109 0.0000 173.8265 9 K 4.4373 8.0031 117.4603 55.9002 34.0683 176.1807 10 N 4.8469 7.9494 115.6758 52.4781 37.8497 174.5812 11 I 4.4448 7.0972 110.5185 59.1090 40.4258 173.3771 12 P 4.3504 0.0000 0.0000 63.6615 31.7701 175.7467 13 F 4.9463 6.7087 113.1412 54.8439 40.6794 174.2272 14 S 4.5751 8.4958 115.7220 57.5073 63.2585 174.0939 15 V 4.5059 7.9836 118.8047 61.1586 32.4822 176.7183 16 E 3.9594 8.1725 122.9766 58.5900 29.7184 177.0458 17 N 4.9162 7.8816 117.9450 51.2020 41.2657 174.8553 18 K 3.8713 8.4532 128.2502 59.5429 32.4493 178.8769 19 W 4.4451 7.7465 119.7055 59.1670 29.3541 178.3740 20 R 3.9524 8.8811 119.2241 59.3140 29.4862 178.2447 21 L 3.9608 8.3364 120.5921 58.1269 41.9877 178.5322 22 L 3.9028 7.9670 119.9703 58.1646 41.9748 178.8058 23 A 4.0431 8.1095 120.5337 55.4889 18.3288 179.2541 24 M 3.9900 8.0429 117.0358 59.1032 32.0263 178.8524 25 M 4.2309 8.3406 118.7268 58.9979 32.1418 179.1170 26 T 3.9926 8.3894 116.1060 66.5019 68.5072 176.8891 27 L 4.0167 8.1296 121.0056 58.2337 41.6027 178.4885 28 F 3.9624 8.9664 120.6288 62.0902 39.1466 177.1435 29 F 4.2123 9.3133 117.4284 60.2658 38.9410 178.2333 30 G 3.7644 8.5683 106.0209 47.7236 0.0000 175.9080 31 S 4.2083 8.4430 117.3369 61.1284 62.7524 176.8556 32 G 3.4996 7.4597 108.5006 47.4080 0.0000 175.1228 33 F 4.3499 8.2463 121.9694 60.9423 39.8074 176.8067 34 A 4.3332 8.6174 120.3689 54.7929 18.1532 179.1344 35 A 3.9609 7.9579 119.5287 55.3332 18.3960 177.9534 36 P 4.0986 0.0000 0.0000 65.7981 31.4029 178.7850 37 F 3.8998 7.9833 115.9023 60.6702 38.7590 177.7568 38 F 4.0029 8.5007 116.6901 60.1684 38.8130 177.8384 39 I 3.8320 7.9362 119.9289 64.0437 36.8315 178.5541 40 V 3.5118 7.8962 119.2781 65.9413 31.4160 177.9749 41 R 3.8072 7.9473 118.4225 59.6221 29.6448 177.6981 42 H 4.0972 8.1530 117.1273 59.6987 29.8547 176.9320 43 Q 4.0937 8.5408 119.9944 58.9034 27.0216 178.7415 44 L 4.1687 8.1768 119.9535 56.9619 41.4553 178.3063 45 L 4.3651 7.5788 116.6933 55.0631 41.7688 177.8140 46 K 4.2621 7.2647 118.0917 56.8564 32.9976 176.2925 47 K 3.9438 7.1907 121.7968 57.2763 33.7394 173.7595 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 H 8.44 4.25 0.00 3.03 3.16 0.00 5.68 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 Y 8.18 4.62 0.00 3.14 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 4 E 9.43 4.21 0.00 1.97 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 2.28 0.00 5 E 8.62 4.62 0.00 1.88 1.79 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 2.22 2.43 0.00 6 G 8.82 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 0.00 0.00 0.00 7 P 0.00 4.31 0.00 2.02 2.01 0.00 3.75 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 2.02 2.09 0.00 8 G 8.87 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 K 8.00 4.44 0.00 1.82 1.78 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.44 7.81 10 N 7.95 4.85 0.00 2.76 2.84 0.00 0.00 5.83 7.81 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 11 I 7.10 4.44 0.69 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.32 0.66 0.00 0.00 12 P 0.00 4.35 0.00 2.22 2.16 0.00 3.49 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 2.16 1.98 0.00 13 F 6.71 4.95 0.00 3.09 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 14 S 8.50 4.58 0.00 3.85 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 15 V 7.98 4.51 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 0.90 0.00 0.00 0.88 0.00 0.00 16 E 8.17 3.96 0.00 1.86 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 2.33 2.30 0.00 17 N 7.88 4.92 0.00 2.80 2.68 0.00 0.00 6.88 6.75 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 18 K 8.45 3.87 0.00 1.49 1.73 0.00 0.90 0.00 0.00 1.06 0.00 0.00 2.73 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.83 0.21 7.81 19 W 7.75 4.45 0.00 3.65 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 20 R 8.88 3.95 0.00 2.08 2.07 0.00 3.14 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.69 0.00 21 L 8.34 3.96 0.00 1.81 1.72 1.03 0.45 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 22 L 7.97 3.90 0.00 1.93 2.00 0.94 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 23 A 8.11 4.04 1.48 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 24 M 8.04 3.99 0.00 1.98 2.27 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.95 0.00 25 M 8.34 4.23 0.00 2.19 2.30 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.49 0.00 26 T 8.39 3.99 4.55 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 1.27 0.00 0.00 27 L 8.13 4.02 0.00 1.97 1.75 0.95 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 28 F 8.97 3.96 0.00 3.02 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 29 F 9.31 4.21 0.00 3.28 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 30 G 8.57 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 31 S 8.44 4.21 0.00 3.95 4.07 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 32 G 7.46 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.25 4.35 0.00 3.23 3.24 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 34 A 8.62 4.33 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 35 A 7.96 3.96 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 P 0.00 4.10 0.00 1.70 1.87 0.00 3.74 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.09 0.00 37 F 7.98 3.90 0.00 3.38 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 38 F 8.50 4.00 0.00 3.20 3.19 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 0.00 39 I 7.94 3.83 1.99 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.85 0.90 0.00 0.00 40 V 7.90 3.51 2.17 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 0.93 0.00 0.00 0.80 0.00 0.00 41 R 7.95 3.81 0.00 1.77 2.01 0.00 3.00 0.00 0.00 2.96 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.59 0.00 42 H 8.15 4.10 0.00 3.25 3.54 0.00 6.01 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 Q 8.54 4.09 0.00 2.19 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.59 0.00 0.00 0.00 0.00 0.00 2.55 2.55 0.00 44 L 8.18 4.17 0.00 1.80 1.68 0.89 0.42 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 45 L 7.58 4.37 0.00 1.76 1.67 0.92 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 46 K 7.26 4.26 0.00 1.84 1.80 0.00 1.55 0.00 0.00 1.47 0.00 0.00 2.98 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.31 1.37 7.81 47 K 7.19 3.94 0.00 1.66 1.63 0.00 1.82 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.19 1.15 7.81