NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3499 8.3049 120.3352 55.9607 33.4505 175.5426 2 K 4.0211 7.6629 113.3238 54.8544 33.4569 174.3834 3 K 3.6950 8.3434 119.7861 56.2546 32.8627 175.0818 4 Y 4.8105 7.7759 123.7213 57.5293 41.2399 174.5769 5 V 5.0604 8.7220 117.5912 62.7668 35.7212 173.7046 6 C 3.4889 8.7724 125.4944 58.1266 33.1085 173.5200 7 T 4.4324 7.6352 114.8357 61.2277 67.5843 175.2196 8 V 4.4727 7.7730 119.8815 65.1077 37.2213 173.7979 9 C 4.5322 8.3278 110.3508 60.2517 31.1228 174.9036 10 G 4.2292 8.4017 111.3741 45.3045 0.0000 170.9110 11 Y 4.9936 7.9265 124.3120 54.6279 39.6478 172.0181 12 E 4.8259 8.7320 120.0541 56.1536 29.6754 176.4344 13 Y 4.1056 8.7699 125.6405 56.5579 41.1990 173.5625 14 D 4.6845 7.2117 123.9612 51.7461 42.9081 174.7021 15 P 4.4106 0.0000 0.0000 65.6242 31.6402 177.9802 16 A 4.2032 7.8795 120.1165 53.2239 19.0433 177.4306 17 E 4.2712 7.7922 115.2605 58.5430 32.1834 173.5460 18 G 3.9827 7.5380 104.1173 43.4680 0.0000 175.5960 19 D 4.4599 8.8244 122.1087 53.0111 42.8944 174.7660 20 P 4.4079 0.0000 0.0000 65.6150 32.0840 178.0811 21 D 4.4511 8.2087 117.7764 57.0262 41.2573 176.9310 22 N 4.6189 8.1134 113.6553 56.0059 39.6279 174.6642 23 G 3.9457 6.6344 107.5936 45.4186 0.0000 172.7419 24 V 4.4907 9.1990 125.1622 60.8992 35.0673 175.1627 25 K 4.3798 8.3439 124.3233 54.6329 34.2806 174.4874 26 P 4.8167 0.0000 0.0000 63.4606 31.9030 176.6222 27 G 3.8794 8.3221 108.4161 45.9435 0.0000 173.5538 28 T 4.4529 7.7597 116.3014 62.1589 70.1037 174.1045 29 S 4.9431 8.1121 116.8405 56.2373 65.4748 174.4477 30 F 2.9762 8.4583 125.5131 61.3486 38.9313 177.0958 31 D 4.1526 8.1531 117.9958 57.4759 40.7465 177.7802 32 D 4.3229 8.3402 118.0957 56.6520 41.4027 176.5620 33 L 3.7320 7.5899 118.8264 53.9244 42.2804 175.1068 34 P 4.4917 0.0000 0.0000 62.1428 32.2896 177.2960 35 A 4.0446 8.3694 121.5906 55.1310 18.4258 178.1804 36 D 4.5758 8.0305 112.3519 54.6532 41.4740 175.5617 37 W 4.5866 7.6595 128.1059 57.5437 31.4661 175.6834 38 V 4.3980 6.8055 116.5888 59.4904 35.1094 172.9187 39 C 3.8816 8.5676 123.6518 59.0990 31.4345 173.3520 40 P 4.5061 0.0000 0.0000 61.8232 30.0777 176.2537 41 V 4.2652 7.2398 116.5397 64.6910 36.6851 174.1363 42 C 4.5596 9.1908 110.7777 60.4780 31.2564 173.3319 43 G 3.3605 7.9370 112.9599 45.4353 0.0000 173.4645 44 A 3.7942 7.2799 122.9604 49.2720 20.0503 175.0261 45 P 4.8687 0.0000 0.0000 61.8910 32.3383 177.6495 46 K 4.8100 8.9766 118.5796 60.1359 32.5285 178.8867 47 S 4.4051 8.3100 114.3842 60.5286 63.1413 174.0053 48 E 4.8215 8.9213 121.2850 56.3284 30.1428 175.4021 49 F 5.2978 7.9791 117.4606 55.6684 42.2281 174.7946 50 E 4.7380 8.9484 118.8097 54.6720 33.7280 174.6830 51 A 4.7550 8.6688 123.6907 50.9798 18.6317 177.4694 52 A 4.2261 8.4884 123.8771 53.2476 18.7327 177.0846 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 M 8.30 4.35 0.00 1.92 2.07 0.00 0.00 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.59 0.00 2 K 7.66 4.02 0.00 1.61 1.35 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.44 7.81 3 K 8.34 3.69 0.00 1.60 1.75 0.00 1.71 0.00 0.00 1.88 0.00 0.00 3.20 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.33 7.81 4 Y 7.78 4.81 0.00 2.84 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 V 8.72 5.06 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 1.02 0.00 0.00 6 C 8.77 3.49 0.00 2.40 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 7 T 7.64 4.43 4.20 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 1.19 0.00 0.00 8 V 7.77 4.47 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 0.76 0.00 0.00 0.94 0.00 0.00 9 C 8.33 4.53 0.00 3.08 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 G 8.40 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 0.00 0.00 0.00 0.00 11 Y 7.93 4.99 0.00 2.98 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 12 E 8.73 4.83 0.00 2.01 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 2.14 0.00 13 Y 8.77 4.11 0.00 2.99 2.91 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 14 D 7.21 4.68 0.00 2.46 2.23 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 0.00 15 P 0.00 4.41 0.00 2.44 2.72 0.00 3.63 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.96 0.00 16 A 7.88 4.20 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.79 4.27 0.00 1.92 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.29 0.00 18 G 7.54 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 0.00 0.00 0.00 19 D 8.82 4.46 0.00 3.14 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 P 0.00 4.41 0.00 2.30 2.32 0.00 3.91 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.99 0.00 21 D 8.21 4.45 0.00 2.70 2.91 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 22 N 8.11 4.62 0.00 2.98 2.99 0.00 0.00 7.29 7.12 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 23 G 6.63 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 24 V 9.20 4.49 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 1.00 0.00 0.00 25 K 8.34 4.38 0.00 1.90 1.80 0.00 1.65 0.00 0.00 1.76 0.00 0.00 2.90 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.36 1.36 7.81 26 P 0.00 4.82 0.00 2.21 2.14 0.00 3.38 0.00 0.00 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.91 0.00 27 G 8.32 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 0.00 0.00 0.00 28 T 7.76 4.45 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 29 S 8.11 4.94 0.00 4.05 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 30 F 8.46 2.98 0.00 1.89 2.16 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 31 D 8.15 4.15 0.00 2.65 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.34 4.32 0.00 2.61 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.59 3.73 0.00 0.63 0.65 -2.01 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 34 P 0.00 4.49 0.00 2.27 2.20 0.00 3.64 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.02 0.00 35 A 8.37 4.04 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 36 D 8.03 4.58 0.00 2.68 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 37 W 7.66 4.59 0.00 3.17 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 38 V 6.81 4.40 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 0.85 0.00 0.00 0.76 0.00 0.00 39 C 8.57 3.88 0.00 3.41 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 40 P 0.00 4.51 0.00 2.10 1.97 0.00 3.58 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.81 0.00 41 V 7.24 4.27 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.21 0.00 0.00 42 C 9.19 4.56 0.00 3.05 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 G 7.94 3.36 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 0.00 44 A 7.28 3.79 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 45 P 0.00 4.87 0.00 2.33 2.25 0.00 3.96 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.98 0.00 46 K 8.98 4.81 0.00 2.14 2.81 0.00 1.57 0.00 0.00 1.88 0.00 0.00 2.82 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.69 1.75 7.81 47 S 8.31 4.41 0.00 3.97 4.03 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 48 E 8.92 4.82 0.00 1.96 1.89 0.00 0.00 0.00 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 2.31 0.00 49 F 7.98 5.30 0.00 3.02 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 0.00 0.00 0.00 50 E 8.95 4.74 0.00 1.98 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 2.20 2.29 0.00 51 A 8.67 4.75 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.49 4.23 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