NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.5205 8.2076 120.4662 54.4913 43.2330 177.1373 2 Y 4.0713 7.7633 117.4572 60.1794 37.4211 176.9991 3 L 3.9438 7.7456 121.6035 57.8313 42.0919 180.8103 4 R 4.0121 7.6166 117.2236 58.9402 29.9679 178.7648 5 E 3.9904 8.7163 119.1005 59.1442 29.4536 179.1861 6 L 4.0028 8.6573 119.6927 57.6951 41.8483 178.8425 7 L 3.9028 7.8818 120.1915 58.7037 41.9707 179.4514 8 K 4.0370 8.2825 117.9682 59.0903 31.8746 179.1479 9 L 3.9472 7.6205 120.8180 58.3580 42.1571 178.8703 10 E 4.0536 8.2519 118.3975 59.2005 29.2762 179.2152 11 L 3.9657 7.8362 118.8992 58.0681 41.7681 179.4511 12 Q 3.9211 8.1209 118.8849 59.1585 28.9379 178.1251 13 A 4.0559 7.9814 121.8751 55.2212 18.4642 179.7134 14 I 3.7473 8.4720 118.7818 64.1841 37.3108 178.1854 15 K 3.7906 8.1400 120.9053 59.9463 31.8108 178.2953 16 Q 4.2469 7.9115 116.9767 58.0630 28.9721 177.6145 17 Y 4.2070 8.4529 117.9233 60.3011 37.7137 178.2272 18 R 3.9706 8.0219 119.5689 59.4222 29.9960 178.8703 19 E 3.8078 7.5652 115.6391 59.0887 29.7337 178.7652 20 A 4.2829 7.7717 120.5671 54.3561 18.7807 179.2410 21 L 4.0690 8.3937 119.2961 58.6777 41.9789 178.9451 22 E 3.9493 8.6403 118.1692 59.0800 29.5470 177.5035 23 Y 4.6638 7.8938 116.6002 57.2336 40.4027 175.4920 24 V 4.2230 7.5680 117.2165 60.4740 34.4280 174.1354 25 K 4.2388 8.4458 123.5875 55.0393 32.1288 176.2807 26 L 4.6154 8.0326 126.6969 51.8404 43.9306 175.5813 27 P 4.2417 0.0000 0.0000 65.6430 31.2409 178.4997 28 V 3.2040 7.7548 116.6812 63.9694 31.5989 177.9501 29 L 4.1484 8.5648 119.9618 56.8432 41.4762 178.3264 30 A 4.2115 7.6839 119.8729 53.4678 19.0013 179.1349 31 K 3.7926 8.5969 119.0940 59.6765 32.5887 178.8136 32 I 3.6550 7.1905 120.0865 64.2330 36.9981 178.1896 33 L 3.5034 7.5271 121.1435 57.6999 41.7522 178.2561 34 E 3.7182 8.1180 119.5821 59.8119 29.4388 178.9658 35 D 4.0673 8.2415 118.7703 57.2613 40.8150 178.7089 36 E 3.7434 7.7354 118.9060 58.8675 29.2793 179.1770 37 E 3.8995 7.6757 118.5360 58.8837 29.6299 178.8165 38 K 3.3884 7.8904 118.8679 59.7016 32.0281 178.9689 39 H 3.9837 7.9621 116.4435 58.7993 28.5710 177.7842 40 I 3.6694 7.5069 121.5117 64.4399 36.9152 177.9974 41 E 3.9106 8.0841 119.9936 59.1042 29.4081 178.5224 42 W 4.5543 8.1716 119.0912 60.2458 29.2382 178.2579 43 L 4.0689 8.7990 118.7960 58.1589 40.8718 179.6354 44 E 4.0386 8.6699 117.7404 59.6180 29.4566 179.2117 45 T 4.0387 8.0550 115.0614 66.9205 68.6901 176.1046 46 I 3.8380 7.7334 120.2742 66.1207 37.6202 177.3539 47 L 4.4956 8.2765 119.1804 53.9395 44.7870 177.3122 48 G 3.7396 8.5766 108.8254 46.7989 0.0000 173.4682 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 D 8.21 4.52 0.00 2.73 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 2 Y 7.76 4.07 0.00 3.34 3.25 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 0.00 3 L 7.75 3.94 0.00 1.39 1.66 0.82 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 4 R 7.62 4.01 0.00 1.82 1.94 0.00 3.08 0.00 0.00 3.30 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 5 E 8.72 3.99 0.00 2.15 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 2.49 2.54 0.00 6 L 8.66 4.00 0.00 1.94 1.78 1.02 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 7 L 7.88 3.90 0.00 1.77 1.76 0.94 0.27 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 8 K 8.28 4.04 0.00 1.85 1.86 0.00 1.87 0.00 0.00 1.58 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.56 1.57 7.81 9 L 7.62 3.95 0.00 1.86 1.78 0.95 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.25 4.05 0.00 2.07 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 2.53 2.56 0.00 11 L 7.84 3.97 0.00 1.82 1.74 0.96 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 12 Q 8.12 3.92 0.00 2.31 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.51 2.37 0.00 13 A 7.98 4.06 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.47 3.75 2.12 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 1.38 0.87 0.92 0.00 0.00 15 K 8.14 3.79 0.00 1.90 2.08 0.00 1.51 0.00 0.00 1.64 0.00 0.00 3.02 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.43 1.55 7.81 16 Q 7.91 4.25 0.00 2.13 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.60 0.00 0.00 0.00 0.00 0.00 2.27 2.34 0.00 17 Y 8.45 4.21 0.00 3.01 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 18 R 8.02 3.97 0.00 2.28 2.00 0.00 3.14 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.69 0.00 19 E 7.57 3.81 0.00 2.11 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 2.35 2.60 0.00 20 A 7.77 4.28 1.35 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 0.00 0.00 0.00 0.00 0.00 0.00 21 L 8.39 4.07 0.00 2.12 1.79 1.05 1.04 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 22 E 8.64 3.95 0.00 2.09 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 0.00 2.36 2.58 0.00 23 Y 7.89 4.66 0.00 2.92 3.02 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 0.00 0.00 0.00 24 V 7.57 4.22 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 0.88 0.00 0.00 0.93 0.00 0.00 25 K 8.45 4.24 0.00 1.69 1.75 0.00 1.61 0.00 0.00 1.70 0.00 0.00 2.86 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.34 1.49 7.81 26 L 8.03 4.62 0.00 1.72 1.56 0.97 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 27 P 0.00 4.24 0.00 2.15 2.11 0.00 3.59 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 2.12 2.19 0.00 28 V 7.75 3.20 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 1.01 0.00 0.00 0.94 0.00 0.00 29 L 8.56 4.15 0.00 1.85 1.94 1.06 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 30 A 7.68 4.21 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 31 K 8.60 3.79 0.00 1.74 1.80 0.00 1.69 0.00 0.00 1.66 0.00 0.00 3.22 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.49 7.81 32 I 7.19 3.65 1.23 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.43 0.21 0.00 0.00 33 L 7.53 3.50 0.00 1.59 1.60 0.87 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 34 E 8.12 3.72 0.00 2.09 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 0.00 2.20 2.31 0.00 35 D 8.24 4.07 0.00 2.59 2.50 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 36 E 7.74 3.74 0.00 1.95 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 2.17 2.36 0.00 37 E 7.68 3.90 0.00 2.00 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 2.33 2.44 0.00 38 K 7.89 3.39 0.00 1.40 0.74 0.00 1.41 0.00 0.00 1.51 0.00 0.00 2.87 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.07 1.22 7.81 39 H 7.96 3.98 0.00 3.21 3.31 0.00 5.65 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 I 7.51 3.67 2.06 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 1.41 0.88 0.89 0.00 0.00 41 E 8.08 3.91 0.00 2.00 1.95 0.00 0.00 0.00 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 2.50 0.00 42 W 8.17 4.55 0.00 3.61 3.14 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.80 4.07 0.00 1.70 1.79 0.99 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 44 E 8.67 4.04 0.00 2.23 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 0.00 2.36 2.46 0.00 45 T 8.06 4.04 4.53 0.00 0.00 0.00 0.00 0.00 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 46 I 7.73 3.84 2.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.70 0.92 0.00 0.00 47 L 8.28 4.50 0.00 1.80 1.65 0.87 0.97 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 48 G 8.58 3.74 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 0.00 0.00 0.00