NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 I 4.1440 8.0093 120.7865 60.9944 39.1806 174.5338 2 T 4.4757 8.2502 115.9127 59.3996 71.2316 171.5048 3 A 4.6796 8.8553 126.4875 50.5035 23.2944 177.2276 4 K 4.2918 8.2946 118.8274 55.1547 32.9491 175.8141 5 P 4.2869 0.0000 0.0000 62.1021 31.8199 176.3778 6 A 3.9553 8.6090 123.2015 52.8266 18.5046 178.0392 7 K 4.1603 8.9081 123.2675 59.1311 32.5287 177.6651 8 T 4.5476 7.3374 107.5101 57.8592 68.2498 170.3537 9 P 4.0289 0.0000 0.0000 64.4017 32.1190 176.1313 10 T 5.1730 8.5132 119.4330 61.1331 68.5266 175.2617 11 S 4.3855 8.4824 121.8253 57.2205 65.5150 172.9134 12 P 4.3458 0.0000 0.0000 65.6745 31.1375 178.6982 13 K 3.8643 8.0736 117.8136 59.8232 32.0564 178.4352 14 E 4.0243 7.9993 118.0369 59.2818 29.2016 179.2509 15 Q 4.0461 8.1334 118.0355 58.3281 28.8809 178.1930 16 A 3.8670 7.8544 121.4986 55.0848 18.4042 179.5220 17 I 3.6752 7.7187 118.2474 64.4801 37.2427 178.7276 18 G 3.6827 8.0137 106.4379 48.0679 0.0000 174.9114 19 L 3.8164 8.5626 123.5382 57.5712 42.0256 178.9088 20 S 4.0428 8.5580 115.1539 61.8770 62.9565 177.4069 21 V 3.6372 8.0551 120.6242 66.3396 31.3554 178.1007 22 T 4.0795 8.1490 115.5226 66.7057 68.2434 176.5072 23 F 4.1915 8.8436 119.9643 60.8507 39.0616 177.8583 24 L 4.1258 8.4014 118.6339 57.6685 41.1456 179.6618 25 S 4.2530 8.2736 113.3735 60.5749 62.1387 175.8462 26 F 4.2855 7.8893 120.7048 59.7040 39.4268 178.0813 27 L 4.2847 8.2898 118.7285 57.4663 41.4283 179.6118 28 L 4.0317 8.1517 119.0268 57.3762 41.6307 177.5370 29 P 4.2692 0.0000 0.0000 65.6336 31.3036 178.2621 30 A 4.1970 7.6248 116.5349 55.3531 18.2203 179.8487 31 G 3.6664 8.2370 104.0087 47.6935 0.0000 175.6620 32 W 4.3045 8.9546 131.4013 60.1876 30.5841 177.9355 33 V 3.7542 8.1567 116.7579 66.4359 31.0345 177.7112 34 L 4.1481 8.3490 118.6725 57.8940 41.1697 178.9785 35 Y 4.0446 8.0216 119.0691 60.4769 38.8319 176.5587 36 H 3.9762 7.5716 115.6027 55.4105 28.8449 176.9602 37 L 3.8043 7.0036 124.1955 58.2860 41.5568 179.3647 38 D 4.2966 7.6256 117.8097 57.1390 40.5438 178.3199 39 N 4.3211 7.2787 116.0918 55.5393 38.4415 176.5082 40 Y 4.6120 7.1114 116.9433 60.4679 38.7008 177.1522 41 K 4.2366 7.5929 117.8559 58.2356 32.8204 177.5434 42 K 4.4149 7.0629 125.2038 54.6059 32.2903 176.1461 43 S 4.2764 8.2074 119.9640 58.9498 63.7122 175.7435 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 I 8.01 4.14 1.87 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 1.47 1.35 0.91 0.00 0.00 2 T 8.25 4.48 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 3 A 8.86 4.68 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 4 K 8.29 4.29 0.00 1.76 1.75 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.78 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.46 7.81 5 P 0.00 4.29 0.00 2.03 1.98 0.00 3.71 0.00 0.00 3.66 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 6 A 8.61 3.96 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.91 4.16 0.00 1.76 1.89 0.00 1.69 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.43 7.81 8 T 7.34 4.55 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 9 P 0.00 4.03 0.00 2.05 2.07 0.00 3.65 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.30 0.00 10 T 8.51 5.17 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 1.23 0.00 0.00 11 S 8.48 4.39 0.00 4.01 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 12 P 0.00 4.35 0.00 2.16 2.12 0.00 3.60 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 2.10 2.13 0.00 13 K 8.07 3.86 0.00 1.77 1.80 0.00 1.73 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.50 1.48 7.81 14 E 8.00 4.02 0.00 2.31 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 2.32 2.34 0.00 15 Q 8.13 4.05 0.00 2.21 2.10 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 2.35 2.59 0.00 16 A 7.85 3.87 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 17 I 7.72 3.68 2.01 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 1.44 0.69 0.91 0.00 0.00 18 G 8.01 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.56 3.82 0.00 1.68 1.63 0.52 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 20 S 8.56 4.04 0.00 4.05 3.95 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 0.00 0.00 0.00 21 V 8.06 3.64 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 1.08 0.00 0.00 1.01 0.00 0.00 22 T 8.15 4.08 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 1.39 0.00 0.00 23 F 8.84 4.19 0.00 3.17 3.10 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 24 L 8.40 4.13 0.00 1.90 1.79 0.97 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 25 S 8.27 4.25 0.00 4.04 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 0.00 26 F 7.89 4.29 0.00 3.39 3.13 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 0.00 0.00 0.00 27 L 8.29 4.28 0.00 1.76 1.76 0.91 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 28 L 8.15 4.03 0.00 1.83 1.75 0.95 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 29 P 0.00 4.27 0.00 2.17 2.10 0.00 3.84 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 2.22 2.14 0.00 30 A 7.62 4.20 1.42 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 0.00 0.00 0.00 0.00 0.00 0.00 31 G 8.24 3.67 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 0.00 0.00 0.00 32 W 8.95 4.30 0.00 3.47 3.44 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.16 3.75 2.39 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 1.06 0.00 0.00 1.29 0.00 0.00 34 L 8.35 4.15 0.00 2.10 1.76 0.97 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 35 Y 8.02 4.04 0.00 2.97 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 36 H 7.57 3.98 0.00 2.30 2.08 0.00 5.88 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 L 7.00 3.80 0.00 1.67 1.60 0.90 1.06 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 38 D 7.63 4.30 0.00 2.54 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.28 4.32 0.00 2.17 2.69 0.00 0.00 6.99 8.46 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 40 Y 7.11 4.61 0.00 3.01 2.87 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 41 K 7.59 4.24 0.00 1.85 1.90 0.00 1.61 0.00 0.00 1.77 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.66 7.81 42 K 7.06 4.41 0.00 1.76 1.68 0.00 1.72 0.00 0.00 1.70 0.00 0.00 3.12 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.32 1.40 7.81 43 S 8.21 4.28 0.00 3.94 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00