NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.5583 8.2076 120.1633 54.4892 42.7794 177.6043 2 Y 4.3008 7.4959 117.3675 59.4045 37.8690 176.5406 3 L 3.9394 7.0217 120.9311 57.4383 42.0467 180.2414 4 R 3.9523 8.2903 119.0921 59.0911 29.9093 178.0781 5 E 3.9763 8.0848 117.6246 58.7454 29.9412 178.4171 6 L 4.1368 7.5417 118.8247 57.8135 41.6667 178.9569 7 L 3.9971 8.0009 120.1657 58.2289 41.5902 179.0606 8 K 4.0056 8.3643 119.6896 59.1508 32.0482 178.8698 9 L 4.1333 7.8953 119.5231 57.6658 41.6438 179.1279 10 E 4.1900 8.1861 117.8654 58.9708 29.2672 179.3011 11 L 4.1474 7.7281 119.3790 58.0374 41.7335 179.3598 12 Q 3.8776 7.6997 116.5780 58.8906 28.6487 178.9046 13 L 3.8623 8.5918 121.5885 58.3296 42.3083 179.2016 14 I 3.9752 8.6006 120.8316 63.9431 36.9227 178.4275 15 K 3.9392 8.6946 121.3416 59.5696 32.1001 178.7521 16 Q 3.9195 8.1084 118.3421 59.4150 28.6102 178.6944 17 Y 4.2066 7.7482 117.3885 61.1133 37.6165 179.1124 18 R 3.9894 7.8484 117.9397 59.2725 30.4022 178.3877 19 E 4.1738 8.4270 118.3088 59.6214 29.5058 179.4800 20 A 4.0661 8.1535 120.6426 55.0228 18.2676 179.4253 21 L 4.2502 8.1715 118.2556 58.1605 42.1317 178.7617 22 E 4.1197 7.9197 118.1963 58.6224 29.4821 177.1092 23 Y 4.3917 8.2027 114.3067 57.7883 40.0752 175.7825 24 V 4.4402 8.2134 118.6950 61.2451 33.4338 175.1582 25 K 4.4331 8.4022 123.3912 56.0943 32.4356 176.4736 26 L 4.2090 7.7348 120.6024 53.8190 41.5027 175.8664 27 P 4.2309 0.0000 0.0000 65.4804 31.3215 178.7899 28 V 3.5912 7.9068 117.4412 65.2646 30.9388 178.2240 29 L 3.9168 8.0113 119.0179 57.5344 41.4920 179.3872 30 A 3.9974 8.5031 121.0046 54.6409 18.1133 179.5514 31 K 3.8045 7.8536 117.0719 59.6751 32.6046 178.7134 32 I 3.6688 7.4707 119.9442 64.0707 36.9868 177.9613 33 L 3.5850 7.3613 121.1013 58.2564 41.8284 178.3421 34 E 3.9324 8.0171 118.9549 59.7550 29.2842 178.7870 35 D 4.1026 7.8003 118.5053 57.2158 40.8545 178.6665 36 E 3.7945 7.7713 118.4476 59.3716 29.5239 178.6649 37 E 3.8296 8.0232 118.7206 59.6818 29.4470 179.6994 38 K 3.5773 7.4681 118.7478 59.5505 32.0999 178.5276 39 H 4.0200 7.7909 116.6086 58.8555 28.4853 177.8849 40 I 3.7523 8.1680 121.9619 64.2119 36.9555 177.9137 41 E 3.9124 7.8096 119.9864 59.1764 29.4072 179.0430 42 W 4.4710 7.7290 118.6443 59.9652 29.1383 178.5473 43 L 4.1453 8.5888 119.3285 57.7833 40.7497 179.5522 44 E 3.9873 8.2877 118.3264 59.6906 29.2768 179.0873 45 T 4.0603 8.1076 115.7741 66.7300 68.2859 176.7656 46 I 3.7735 7.6720 120.6747 64.2623 37.2616 177.8407 47 L 4.2323 7.7764 116.7243 55.3258 41.5081 177.3881 48 G 4.0115 7.6889 113.4113 45.6505 0.0000 173.5357 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 4.56 0.00 2.77 2.76 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 2 Y 7.50 4.30 0.00 3.40 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 7.02 3.94 0.00 1.41 1.63 0.71 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 4 R 8.29 3.95 0.00 1.77 1.95 0.00 3.08 0.00 0.00 3.08 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 5 E 8.08 3.98 0.00 2.01 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 2.32 2.49 0.00 6 L 7.54 4.14 0.00 1.98 1.75 1.03 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 7 L 8.00 4.00 0.00 1.79 1.81 0.94 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 8 K 8.36 4.01 0.00 2.10 1.97 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.48 7.81 9 L 7.90 4.13 0.00 1.96 1.72 0.95 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.19 4.19 0.00 2.01 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 2.46 2.40 0.00 11 L 7.73 4.15 0.00 1.78 1.72 0.93 1.20 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 12 Q 7.70 3.88 0.00 2.25 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.49 0.00 13 L 8.59 3.86 0.00 2.01 1.89 0.74 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 14 I 8.60 3.98 2.08 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 1.45 1.17 0.94 0.00 0.00 15 K 8.69 3.94 0.00 1.79 1.86 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.48 7.81 16 Q 8.11 3.92 0.00 2.16 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.57 0.00 0.00 0.00 0.00 0.00 2.27 2.33 0.00 17 Y 7.75 4.21 0.00 3.10 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 18 R 7.85 3.99 0.00 2.20 2.03 0.00 3.20 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.83 0.00 19 E 8.43 4.17 0.00 2.20 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 2.36 2.46 0.00 20 A 8.15 4.07 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 21 L 8.17 4.25 0.00 1.96 1.84 0.93 0.90 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 22 E 7.92 4.12 0.00 2.28 2.03 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 2.30 2.37 0.00 23 Y 8.20 4.39 0.00 2.89 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 24 V 8.21 4.44 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 0.83 0.00 0.00 1.00 0.00 0.00 25 K 8.40 4.43 0.00 1.76 1.79 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.08 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.35 1.48 7.81 26 L 7.73 4.21 0.00 1.74 1.65 0.94 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 27 P 0.00 4.23 0.00 2.14 2.09 0.00 3.64 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.14 0.00 28 V 7.91 3.59 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.93 0.00 0.00 29 L 8.01 3.92 0.00 1.98 1.81 1.03 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 30 A 8.50 4.00 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 31 K 7.85 3.80 0.00 1.85 1.79 0.00 1.76 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.38 1.45 7.81 32 I 7.47 3.67 1.34 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 1.30 0.49 0.33 0.00 0.00 33 L 7.36 3.58 0.00 1.62 1.60 0.94 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 34 E 8.02 3.93 0.00 2.10 2.07 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 2.21 2.30 0.00 35 D 7.80 4.10 0.00 2.86 2.46 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 36 E 7.77 3.79 0.00 2.00 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 2.45 2.39 0.00 37 E 8.02 3.83 0.00 2.04 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 2.29 2.30 0.00 38 K 7.47 3.58 0.00 1.62 1.22 0.00 1.41 0.00 0.00 1.47 0.00 0.00 2.94 0.00 0.00 2.89 0.00 0.00 0.00 0.00 0.71 1.16 7.81 39 H 7.79 4.02 0.00 3.33 3.35 0.00 5.69 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 I 8.17 3.75 2.09 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.73 0.89 0.00 0.00 41 E 7.81 3.91 0.00 1.86 1.90 0.00 0.00 0.00 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 2.35 0.00 42 W 7.73 4.47 0.00 3.65 3.11 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 0.00 0.00 0.00 43 L 8.59 4.15 0.00 1.87 1.77 1.03 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 44 E 8.29 3.99 0.00 2.18 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 2.36 2.44 0.00 45 T 8.11 4.06 4.47 0.00 0.00 0.00 0.00 0.00 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 46 I 7.67 3.77 2.05 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.59 0.90 0.00 0.00 47 L 7.78 4.23 0.00 1.86 1.70 0.90 0.88 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 48 G 7.69 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00