NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1H T 4.3293 8.1593 110.9326 61.6905 70.0076 172.7975 1G F 4.3035 8.8733 114.8438 56.4498 38.5393 174.0909 1F G 4.0711 5.5284 109.9237 44.2669 0.0000 172.9228 1E A 4.3411 7.8092 120.2432 51.9951 19.3815 177.7675 1D G 4.1553 8.8372 110.4451 47.6389 0.0000 178.7220 1C E 3.4990 6.9420 115.2146 58.1140 31.8613 179.6032 1B A 4.6447 7.5741 121.5621 50.8456 19.2730 175.7513 1A D 4.9129 8.6055 117.7655 55.3077 42.3641 175.5682 1 C 4.3708 7.8484 113.2862 59.3917 30.4012 175.1395 2 G 4.0405 8.6306 107.3808 46.1818 0.0000 174.5914 3 L 4.3572 7.3714 120.1862 52.4981 40.3751 174.9432 4 R 3.9717 8.2514 120.4501 55.9745 30.8269 175.9467 5 P 4.1673 0.0000 0.0000 65.6848 31.4164 177.3313 6 L 4.2745 7.8137 114.1359 54.8398 41.9907 176.8481 7 F 4.9382 7.2828 114.6862 56.7456 41.7656 176.2430 8 E 4.0401 9.2014 124.4404 60.1551 30.0679 179.0991 9 K 4.1356 8.1692 115.6533 57.8343 32.5130 177.5968 10 K 4.3242 8.4964 120.0759 55.3475 32.1466 176.1891 11 Q 3.5520 8.1880 114.7321 56.1566 27.7181 172.9419 12 V 4.3428 7.4075 116.1433 60.5263 32.8785 175.9486 13 Q 4.4788 8.8758 122.7572 54.5210 30.1798 174.6116 14 D 5.0623 8.0857 118.7075 51.3073 41.6480 177.2416 14A Q 3.9621 8.7633 118.2147 59.4383 28.2735 177.9716 14B T 4.3279 7.8883 112.5783 62.9142 68.8656 175.7542 14C E 3.6042 8.0605 123.5201 59.5325 29.4564 178.7591 14D K 3.8290 8.0515 117.6602 59.6352 31.7762 178.3768 14E E 3.8150 7.5491 118.6465 59.3674 29.7530 178.6997 14F L 3.7320 7.6138 118.6510 57.8052 41.3502 179.4574 14G F 4.0953 7.1648 116.9172 60.5739 38.6499 177.1795 14H E 3.9547 8.1852 118.6378 59.2978 29.8247 178.7567 14I S 4.3306 7.8098 114.1751 61.2262 63.1051 175.4471 14J Y 4.5547 7.3346 117.8846 58.4013 37.6216 176.1488 14K I 3.4365 7.4515 124.1149 62.3249 36.3297 173.6038 14L E 3.8419 8.2296 123.5773 56.6600 29.1503 176.5841 14M G 4.0026 8.3773 115.7609 44.4597 0.0000 172.9318 15 R 4.1806 8.2263 116.9737 56.1973 30.4621 176.4460 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 1H T 8.16 4.33 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 1.12 0.00 0.00 1G F 8.87 4.30 0.00 3.23 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 1F G 5.53 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 1E A 7.81 4.34 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1D G 8.84 4.16 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 0.00 0.00 0.00 1C E 6.94 3.50 0.00 2.14 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.41 0.00 1B A 7.57 4.64 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 1A D 8.61 4.91 0.00 2.85 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 1 C 7.85 4.37 0.00 3.18 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 2 G 8.63 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 3 L 7.37 4.36 0.00 1.80 1.62 0.92 0.97 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 4 R 8.25 3.97 0.00 2.03 2.10 0.00 3.32 0.00 0.00 3.38 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.88 0.00 5 P 0.00 4.17 0.00 2.02 2.07 0.00 3.70 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.05 0.00 6 L 7.81 4.27 0.00 1.36 1.30 0.86 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 7 F 7.28 4.94 0.00 2.98 2.81 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 8 E 9.20 4.04 0.00 2.07 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 2.37 2.49 0.00 9 K 8.17 4.14 0.00 1.89 1.81 0.00 1.52 0.00 0.00 1.46 0.00 0.00 2.79 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.41 1.46 7.81 10 K 8.50 4.32 0.00 1.80 1.77 0.00 1.68 0.00 0.00 1.55 0.00 0.00 2.77 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.27 1.28 7.81 11 Q 8.19 3.55 0.00 2.18 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.49 0.00 0.00 0.00 0.00 0.00 2.26 2.41 0.00 12 V 7.41 4.34 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 0.60 0.00 0.00 0.98 0.00 0.00 13 Q 8.88 4.48 0.00 2.13 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.87 0.00 0.00 0.00 0.00 0.00 2.52 2.37 0.00 14 D 8.09 5.06 0.00 2.66 1.74 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 14A Q 8.76 3.96 0.00 2.17 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.98 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 14B T 7.89 4.33 4.15 0.00 0.00 0.00 0.00 0.00 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 14C E 8.06 3.60 0.00 2.24 1.86 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 2.07 2.02 0.00 14D K 8.05 3.83 0.00 1.83 1.86 0.00 1.59 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.56 1.60 7.81 14E E 7.55 3.81 0.00 1.89 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.30 0.00 14F L 7.61 3.73 0.00 1.10 1.04 0.64 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 14G F 7.16 4.10 0.00 2.94 2.90 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 14H E 8.19 3.95 0.00 2.06 2.14 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 2.30 2.36 0.00 14I S 7.81 4.33 0.00 4.15 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14J Y 7.33 4.55 0.00 2.99 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 14K I 7.45 3.44 1.93 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 1.21 0.25 0.94 0.00 0.00 14L E 8.23 3.84 0.00 1.94 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 2.30 2.39 0.00 14M G 8.38 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 15 R 8.23 4.18 0.00 1.73 1.77 0.00 3.34 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.42 0.00