NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9328 8.3549 109.7364 44.2335 0.0000 173.2890 2 P 4.1858 0.0000 0.0000 62.4555 32.3783 175.4085 3 L 3.9071 8.6012 121.7250 56.1135 42.6219 178.3186 4 G 3.9954 9.2544 102.7412 45.2810 0.0000 171.8721 5 S 4.6098 7.8131 111.1257 56.3428 65.3343 173.3196 6 D 4.5161 8.4550 125.8490 54.3653 41.1810 176.2894 7 T 4.2624 8.0753 112.1598 60.8556 70.0759 172.7473 8 K 4.5623 7.8054 120.0584 54.2309 35.5437 174.9104 9 L 3.8313 8.1154 119.3742 56.1052 40.2250 175.3019 10 Y 4.3075 7.7680 114.7815 57.8730 39.0838 175.9472 11 C 4.2847 8.4509 122.2010 56.8968 43.7194 175.1911 12 I 3.5472 8.8978 121.8341 63.2796 36.9973 174.6310 13 C 4.5960 8.4080 116.0888 55.9585 42.4119 173.9294 14 K 3.7573 8.2575 115.5357 58.0417 30.8003 174.9807 15 T 4.5393 7.3862 105.8315 60.5517 71.7643 172.5671 16 P 4.7186 0.0000 0.0000 62.2248 32.1057 175.3536 17 Y 3.6895 9.0389 120.5822 58.0164 39.1725 175.6183 18 D 4.7859 8.8958 125.6738 52.7094 43.8476 176.2862 19 E 3.7636 9.2894 124.9557 59.4336 29.7257 179.0862 20 S 4.2843 8.2023 113.9379 60.3707 63.2256 174.1921 21 K 4.3803 8.6274 121.6052 54.4279 33.7297 175.0650 22 F 5.2130 7.1753 118.5119 55.4608 40.8166 173.7347 23 Y 5.4942 9.2009 116.7052 55.0903 41.8030 174.7262 24 I 4.5365 8.2971 113.3805 59.1104 40.2494 174.6281 25 G 4.5697 9.1573 115.1367 45.4971 0.0000 172.5621 26 C 4.3730 9.4331 126.7220 57.2074 44.0096 173.9210 27 D 4.4433 8.2938 127.9281 56.7916 40.5979 178.2533 28 R 4.5219 7.9346 112.0646 55.9711 31.1018 175.1144 29 C 4.5585 7.9163 112.1534 54.8374 42.2302 174.0203 30 Q 2.9017 7.3802 116.7142 57.3817 27.2796 172.6991 31 N 3.4732 6.5979 116.8303 51.8895 43.7121 172.9306 32 W 5.2686 6.8130 119.7966 53.8260 32.8218 174.5642 33 Y 5.0937 8.1171 120.6070 56.0419 41.9222 174.5705 34 H 3.6248 7.6473 119.0284 55.2619 29.7458 176.0286 35 G 3.9535 7.7209 111.6173 49.1613 0.0000 175.8934 36 R 4.0100 7.7312 116.5624 57.6558 29.9420 177.9097 37 C 3.9329 7.9861 119.4175 61.9236 31.4200 174.4997 38 V 4.1905 7.7833 108.9400 60.4867 32.4397 175.0400 39 G 3.6637 8.3914 107.5873 46.8825 0.0000 172.8299 40 I 4.5635 7.3443 116.9094 58.1437 40.3504 174.3822 41 L 4.3420 8.0936 122.6414 54.6306 42.4073 178.7043 42 Q 4.1391 8.6050 118.8936 59.1201 29.2841 178.8203 43 S 3.9189 8.0741 111.6718 61.3110 62.2289 175.6271 44 E 3.4142 7.4165 116.9517 59.0803 29.3123 179.1383 45 A 4.1183 7.6559 120.5546 54.7126 18.8602 179.0123 46 E 4.1874 8.7157 118.1021 58.7483 29.7209 178.7672 47 L 4.2549 7.5625 115.1429 55.8213 40.4196 175.8434 48 I 4.5551 7.1551 118.7757 60.3129 39.7384 175.2217 49 D 4.6184 8.3166 123.4614 53.6975 41.7264 175.7867 50 E 4.8293 8.2108 110.7922 56.5759 31.3413 174.6813 51 Y 4.2133 7.9860 121.4631 57.9368 39.5391 174.7215 52 V 4.4327 6.5923 123.9869 60.1855 34.6152 174.6024 53 C 5.4484 8.4321 120.2887 54.1338 43.8494 172.8723 54 P 4.0592 0.0000 0.0000 65.9087 31.0134 178.3961 55 Q 4.0799 7.8641 117.3670 58.5997 28.5765 178.9783 56 C 4.3625 7.8938 118.7281 59.6329 38.5804 175.6591 57 Q 3.6430 7.7009 119.1022 59.3511 28.0284 179.4638 58 S 3.9666 7.5720 114.6982 61.6437 63.1497 176.3770 59 T 4.1462 7.7631 111.8063 64.7253 68.7654 175.9916 60 E 3.8818 8.4240 120.3311 58.2428 29.7153 177.1429 61 D 4.6189 7.6215 116.3940 52.4781 43.0427 175.3339 62 A 4.3072 8.3736 121.1492 52.2947 19.2716 176.5445 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 G 8.35 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 2 P 0.00 4.19 0.00 2.13 2.01 0.00 3.69 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 2.03 2.16 0.00 3 L 8.60 3.91 0.00 1.63 1.74 0.92 0.97 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 4 G 9.25 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 S 7.81 4.61 0.00 3.77 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 6 D 8.45 4.52 0.00 2.70 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.08 4.26 4.17 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 0.00 0.00 0.00 1.20 0.00 0.00 8 K 7.81 4.56 0.00 1.76 1.76 0.00 1.55 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.20 1.25 7.81 9 L 8.12 3.83 0.00 1.98 1.76 0.89 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 10 Y 7.77 4.31 0.00 3.18 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 11 C 8.45 4.28 0.00 2.81 3.45 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.90 3.55 1.78 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.65 0.45 0.00 0.00 13 C 8.41 4.60 0.00 3.15 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 14 K 8.26 3.76 0.00 1.99 1.93 0.00 1.61 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.35 1.43 7.81 15 T 7.39 4.54 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 1.25 0.00 0.00 16 P 0.00 4.72 0.00 2.24 2.24 0.00 3.79 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 2.12 2.15 0.00 17 Y 9.04 3.69 0.00 1.78 2.48 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 18 D 8.90 4.79 0.00 2.74 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.29 3.76 0.00 2.04 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 2.39 2.45 0.00 20 S 8.20 4.28 0.00 3.89 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 K 8.63 4.38 0.00 1.54 1.44 0.00 1.47 0.00 0.00 1.21 0.00 0.00 2.82 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.71 0.96 7.81 22 F 7.18 5.21 0.00 3.25 3.21 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 23 Y 9.20 5.49 0.00 3.05 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.30 4.54 0.77 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.27 0.77 0.00 0.00 25 G 9.16 4.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 9.43 4.37 0.00 3.10 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 27 D 8.29 4.44 0.00 2.64 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.93 4.52 0.00 1.86 2.09 0.00 3.05 0.00 0.00 3.27 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 29 C 7.92 4.56 0.00 3.09 3.20 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 0.00 0.00 0.00 0.00 30 Q 7.38 2.90 0.00 2.38 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.76 0.00 0.00 0.00 0.00 0.00 2.22 2.22 0.00 31 N 6.60 3.47 0.00 2.69 2.24 0.00 0.00 6.48 7.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 W 6.81 5.27 0.00 3.09 3.21 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 33 Y 8.12 5.09 0.00 2.90 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 H 7.65 3.62 0.00 2.89 2.59 0.00 6.13 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 35 G 7.72 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 0.00 0.00 0.00 36 R 7.73 4.01 0.00 2.02 2.19 0.00 2.95 0.00 0.00 3.21 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.53 0.00 37 C 7.99 3.93 0.00 2.98 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 38 V 7.78 4.19 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 0.53 0.00 0.00 1.10 0.00 0.00 39 G 8.39 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.34 4.56 1.97 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.12 0.95 0.00 0.00 41 L 8.09 4.34 0.00 1.84 1.59 0.94 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 42 Q 8.61 4.14 0.00 2.06 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.09 6.91 0.00 0.00 0.00 0.00 0.00 2.60 2.40 0.00 43 S 8.07 3.92 0.00 3.83 3.81 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 0.00 0.00 0.00 0.00 44 E 7.42 3.41 0.00 2.16 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 0.00 2.39 2.57 0.00 45 A 7.66 4.12 0.81 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 0.00 0.00 0.00 0.00 0.00 0.00 46 E 8.72 4.19 0.00 1.86 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 2.18 2.09 0.00 47 L 7.56 4.25 0.00 1.76 1.74 0.95 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 48 I 7.16 4.56 2.03 0.00 0.00 0.96 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 0.99 1.02 0.00 0.00 49 D 8.32 4.62 0.00 2.63 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 E 8.21 4.83 0.00 2.09 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 2.20 2.29 0.00 51 Y 7.99 4.21 0.00 3.14 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 52 V 6.59 4.43 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 0.79 0.00 0.00 0.92 0.00 0.00 53 C 8.43 5.45 0.00 3.44 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 54 P 0.00 4.06 0.00 2.14 2.15 0.00 3.39 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 1.65 1.74 0.00 55 Q 7.86 4.08 0.00 2.12 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.96 0.00 0.00 0.00 0.00 0.00 2.38 2.28 0.00 56 C 7.89 4.36 0.00 3.07 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 57 Q 7.70 3.64 0.00 2.22 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.75 0.00 0.00 0.00 0.00 0.00 2.33 2.54 0.00 58 S 7.57 3.97 0.00 4.00 3.91 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 59 T 7.76 4.15 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 1.24 0.00 0.00 60 E 8.42 3.88 0.00 2.08 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 2.45 2.48 0.00 61 D 7.62 4.62 0.00 2.69 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 A 8.37 4.31 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00