NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 H 4.8605 8.4293 117.8304 55.8897 30.1869 172.1932 1 M 4.6280 8.4299 118.6501 52.4855 34.0267 173.7604 2 A 4.7011 8.3848 122.1465 49.7254 23.3974 178.0198 3 S 4.0292 8.8146 119.0567 61.8886 62.3567 176.6063 4 E 3.9747 8.1167 120.3250 59.4803 29.2210 179.1094 5 E 4.0084 8.0908 118.1754 59.3379 29.5616 179.1360 6 L 4.1612 8.1970 119.2479 57.9675 41.6520 179.6419 7 Q 4.0062 8.3442 118.1155 58.7795 28.7084 178.9004 8 K 4.0352 7.9699 119.3567 59.3799 31.9752 179.1196 9 D 4.3586 8.3143 119.3927 57.2234 40.6890 178.5140 10 L 3.9193 8.2315 121.1564 58.1494 42.1077 178.5763 11 E 3.8989 8.2714 119.2087 59.3297 29.4822 178.5055 12 E 3.9315 8.1338 119.0417 59.0196 29.6695 178.6454 13 V 3.5666 8.0266 118.6587 66.1822 31.5717 178.0038 14 K 3.8853 8.1793 118.0462 59.6455 31.7379 179.3972 15 V 3.7055 7.6378 116.8254 66.0843 31.5818 177.1811 16 L 4.0741 8.4342 119.9862 56.8560 41.3110 177.5153 17 L 4.4653 7.6964 120.1167 54.4977 42.4193 177.7046 18 E 4.1727 8.2251 117.9028 57.9113 29.1602 178.1847 19 K 4.2723 7.8324 118.4636 57.2407 33.3238 177.3003 20 A 4.1943 7.9097 121.2838 52.3647 18.7879 176.9329 21 T 4.5043 8.3606 109.7445 61.2729 71.1373 175.0209 22 R 4.3884 7.7129 121.9439 54.4779 32.0775 176.4181 23 K 3.8228 8.7455 125.0708 59.9816 32.2005 179.0996 24 R 3.9256 7.9363 115.3822 58.9908 29.3789 178.8343 25 V 3.5930 7.6712 118.7235 65.8520 31.6212 177.9478 26 R 3.9203 8.2598 118.1628 59.4324 29.9006 178.8019 27 D 4.3230 8.4788 118.6819 57.3390 40.8378 178.7139 28 A 4.0058 8.0476 121.2552 55.2001 18.2840 179.7458 29 L 4.0024 8.1773 117.6034 58.1013 41.6734 179.8237 30 T 3.8503 8.3427 116.0102 66.4673 68.3700 176.5594 31 A 3.9877 8.1658 122.7818 55.1221 18.3623 179.3145 32 E 3.8747 8.2337 117.8878 59.1384 29.6471 178.7899 33 K 3.8527 8.3411 120.0748 59.6839 32.2670 178.6141 34 S 4.0733 8.1872 113.2363 61.3318 62.3124 176.2760 35 K 3.9904 8.1207 121.1514 59.4980 31.7084 179.3586 36 I 3.7219 7.9517 120.1412 64.4885 37.0401 178.3220 37 E 3.9635 8.3985 119.4699 59.6679 29.2765 179.5651 38 T 3.8773 8.0226 115.7037 66.7713 68.4676 176.5619 39 E 4.0105 8.2854 120.4128 59.3633 29.3710 179.4892 40 I 3.6767 8.0883 120.2257 64.1337 37.1913 178.2186 41 K 3.8700 8.1274 120.4095 59.7606 32.0419 178.5246 42 N 4.6226 8.0971 117.8766 55.8693 38.3241 177.6557 43 K 4.0610 8.3542 120.0177 59.6114 31.8534 179.4048 44 M 4.1185 8.1291 118.6285 58.2378 32.1477 178.4545 45 Q 4.1474 8.1688 118.3787 59.0692 28.7498 178.4904 46 Q 4.2546 7.9747 116.6869 57.2763 28.9238 176.6824 47 K 4.2092 7.6189 125.6347 56.7648 32.3813 175.8571 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 0 H 8.43 4.86 0.00 3.18 3.28 0.00 5.61 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 M 8.43 4.63 0.00 2.16 2.00 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.56 0.00 2 A 8.38 4.70 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 3 S 8.81 4.03 0.00 3.90 3.90 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 0.00 0.00 0.00 4 E 8.12 3.97 0.00 2.05 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 2.40 2.40 0.00 5 E 8.09 4.01 0.00 2.10 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 2.40 2.34 0.00 6 L 8.20 4.16 0.00 1.85 1.72 0.92 1.10 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 7 Q 8.34 4.01 0.00 2.24 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.58 0.00 8 K 7.97 4.04 0.00 1.93 1.85 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.65 7.81 9 D 8.31 4.36 0.00 2.87 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 10 L 8.23 3.92 0.00 1.81 1.85 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 11 E 8.27 3.90 0.00 2.08 2.10 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 2.31 2.32 0.00 12 E 8.13 3.93 0.00 2.12 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 2.30 2.31 0.00 13 V 8.03 3.57 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 0.97 0.00 0.00 0.94 0.00 0.00 14 K 8.18 3.89 0.00 2.05 1.85 0.00 1.73 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.52 7.81 15 V 7.64 3.71 2.20 0.00 0.00 0.00 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 16 L 8.43 4.07 0.00 1.84 1.61 0.92 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 17 L 7.70 4.47 0.00 1.85 1.61 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 18 E 8.23 4.17 0.00 2.14 2.00 0.00 0.00 0.00 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 19 K 7.83 4.27 0.00 1.89 1.85 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.16 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.40 1.56 7.81 20 A 7.91 4.19 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.36 4.50 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 1.27 0.00 0.00 22 R 7.71 4.39 0.00 1.84 1.88 0.00 3.31 0.00 0.00 3.26 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.61 0.00 23 K 8.75 3.82 0.00 1.86 1.82 0.00 1.61 0.00 0.00 1.87 0.00 0.00 3.07 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.51 1.74 7.81 24 R 7.94 3.93 0.00 2.07 2.17 0.00 3.01 0.00 0.00 3.26 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.68 0.00 25 V 7.67 3.59 2.20 0.00 0.00 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 0.93 0.00 0.00 26 R 8.26 3.92 0.00 2.02 1.97 0.00 3.32 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.84 0.00 27 D 8.48 4.32 0.00 2.82 2.71 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 28 A 8.05 4.01 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 29 L 8.18 4.00 0.00 1.70 1.72 0.92 0.57 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 T 8.34 3.85 4.38 0.00 0.00 0.00 0.00 0.00 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 31 A 8.17 3.99 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 32 E 8.23 3.87 0.00 2.20 2.10 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 2.30 2.36 0.00 33 K 8.34 3.85 0.00 1.93 1.99 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.56 1.46 7.81 34 S 8.19 4.07 0.00 3.94 3.98 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 35 K 8.12 3.99 0.00 2.00 1.84 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.65 7.81 36 I 7.95 3.72 2.00 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 1.52 0.83 0.94 0.00 0.00 37 E 8.40 3.96 0.00 2.16 2.00 0.00 0.00 0.00 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 2.48 0.00 38 T 8.02 3.88 4.42 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 1.21 0.00 0.00 39 E 8.29 4.01 0.00 2.15 2.00 0.00 0.00 0.00 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 2.57 0.00 40 I 8.09 3.68 2.01 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 0.74 0.91 0.00 0.00 41 K 8.13 3.87 0.00 1.83 1.98 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.49 7.81 42 N 8.10 4.62 0.00 2.97 2.85 0.00 0.00 6.57 6.74 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 43 K 8.35 4.06 0.00 1.89 1.86 0.00 1.80 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.64 1.63 7.81 44 M 8.13 4.12 0.00 1.98 2.12 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.58 0.00 45 Q 8.17 4.15 0.00 2.26 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.85 0.00 0.00 0.00 0.00 0.00 2.38 2.56 0.00 46 Q 7.97 4.25 0.00 2.04 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.96 0.00 0.00 0.00 0.00 0.00 2.39 2.52 0.00 47 K 7.62 4.21 0.00 1.82 1.79 0.00 1.83 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.46 7.81