NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 V 4.0590 8.0544 120.3262 61.5554 32.3827 174.3063 7 D 4.5268 8.7761 125.3711 52.8437 41.7145 174.8246 8 C 5.0028 8.4831 123.4829 56.7425 41.7194 175.6411 9 S 3.9742 8.3485 117.2963 60.9056 62.6706 174.5463 10 E 4.3758 8.3051 120.0554 56.0614 29.1123 174.7340 11 Y 4.4942 7.7924 115.5902 55.0716 40.1657 173.4421 12 P 4.8567 0.0000 0.0000 62.7533 32.2350 175.7994 13 K 4.4052 8.5928 121.0361 53.9094 33.7035 174.9940 14 P 4.3368 0.0000 0.0000 65.0482 31.3802 176.3596 15 A 4.8769 7.7229 119.0518 49.8588 21.9485 175.5112 16 C 5.1689 8.4256 116.7714 54.8552 43.5117 174.6849 17 T 4.2164 8.3741 112.9980 61.9100 68.9484 174.3232 18 L 4.3519 8.2875 121.2533 54.8354 42.2294 176.8888 19 E 3.8270 8.1536 120.4865 56.7981 29.6831 175.5656 20 Y 4.7967 8.6063 127.7710 56.9382 38.6602 174.8217 21 R 4.6364 8.7480 128.1245 53.3264 30.7456 172.9561 22 P 4.6416 0.0000 0.0000 62.6087 33.2698 176.3210 23 L 4.9508 8.6987 120.8415 53.0914 46.0985 174.4852 24 C 4.9343 8.8344 123.1319 55.2708 45.7464 173.6165 25 G 4.6115 9.1895 114.4172 45.4165 0.0000 174.6401 26 S 4.5061 9.3038 114.8007 59.5443 63.0517 174.7600 27 D 4.6061 8.1718 119.7569 52.7873 39.4563 175.5118 28 N 4.2027 8.2598 116.7890 54.8605 38.0630 173.4426 29 K 4.6311 8.0611 114.2690 54.4368 35.1742 175.4821 30 T 4.7423 8.1811 119.7955 62.7783 69.7339 173.8367 31 Y 4.4214 9.2154 124.6341 56.3019 39.7302 176.9741 32 A 4.1036 8.9652 126.2420 55.3658 18.9349 176.7647 33 N 5.2466 7.6507 112.6539 51.8807 40.7999 175.0925 34 K 3.9038 8.4449 120.4922 59.8720 32.0751 178.8539 35 C 4.4748 8.1876 119.4218 59.3347 40.5200 175.1560 36 N 4.3814 8.8228 118.2647 56.1926 38.1249 177.2050 37 F 3.3997 8.4950 122.1861 61.4336 39.5615 176.5033 38 C 3.6810 8.4468 116.4020 59.8823 39.5114 175.9959 39 N 4.2754 7.8126 116.9438 56.1589 38.1330 177.0384 40 A 4.0337 7.7301 122.2973 54.8362 18.5346 179.6792 41 V 3.1925 7.3952 117.1602 66.3270 31.2879 178.8363 42 V 3.6374 7.4326 110.3224 63.9324 31.4370 177.6391 43 E 4.2957 7.5018 116.2610 57.1964 29.2104 177.8224 44 S 4.3062 7.7613 113.9284 58.1394 63.1824 174.0701 45 N 4.0006 8.8553 118.4547 54.7030 35.6296 174.5822 46 G 3.8945 7.7633 100.6551 46.2863 0.0000 175.1866 47 T 4.3631 7.5875 110.4118 61.0518 70.6236 174.0585 48 L 4.4581 7.7207 124.0711 53.6823 43.1689 174.9139 49 T 4.8741 8.6820 115.4391 59.5765 73.0555 172.1350 50 L 4.0072 8.4479 123.5802 55.0987 42.2584 176.2759 51 S 4.4385 9.0291 124.2899 60.3337 63.4693 173.8162 52 H 4.3058 7.0351 112.0816 54.5626 31.5946 172.3528 53 F 4.2390 7.8794 117.7549 58.0763 39.4758 176.6980 54 G 4.0653 8.6296 108.4422 44.9776 0.0000 173.6390 55 K 4.0983 8.1104 117.8979 56.0775 32.6858 178.2757 56 C 4.3831 8.7306 118.5771 57.7090 41.1275 173.9835 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 6 V 8.05 4.06 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 0.89 0.00 0.00 1.04 0.00 0.00 7 D 8.78 4.53 0.00 2.78 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.48 5.00 0.00 2.92 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 9 S 8.35 3.97 0.00 4.03 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 10 E 8.31 4.38 0.00 1.93 1.94 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 2.16 2.20 0.00 11 Y 7.79 4.49 0.00 3.34 2.85 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 0.00 0.00 0.00 12 P 0.00 4.86 0.00 2.21 2.10 0.00 3.76 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 1.99 2.00 0.00 13 K 8.59 4.41 0.00 1.65 1.66 0.00 1.33 0.00 0.00 1.59 0.00 0.00 2.89 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.02 0.21 7.81 14 P 0.00 4.34 0.00 2.17 2.17 0.00 3.64 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 15 A 7.72 4.88 1.23 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 16 C 8.43 5.17 0.00 3.00 3.05 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 0.00 0.00 0.00 17 T 8.37 4.22 4.29 0.00 0.00 0.00 0.00 0.00 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 18 L 8.29 4.35 0.00 1.69 1.78 0.94 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.15 3.83 0.00 1.97 1.94 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 2.35 2.37 0.00 20 Y 8.61 4.80 0.00 2.83 2.93 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 21 R 8.75 4.64 0.00 1.63 1.74 0.00 3.33 0.00 0.00 3.22 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.70 0.00 22 P 0.00 4.64 0.00 1.90 1.46 0.00 3.26 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.44 0.00 23 L 8.70 4.95 0.00 1.33 1.08 0.59 0.58 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 24 C 8.83 4.93 0.00 2.77 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 25 G 9.19 4.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 9.30 4.51 0.00 3.99 4.10 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 27 D 8.17 4.61 0.00 2.87 2.88 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 28 N 8.26 4.20 0.00 2.87 2.91 0.00 0.00 6.98 7.10 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 29 K 8.06 4.63 0.00 1.83 1.34 0.00 1.91 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.30 1.55 7.81 30 T 8.18 4.74 4.22 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 1.23 0.00 0.00 31 Y 9.22 4.42 0.00 3.05 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 32 A 8.97 4.10 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.65 5.25 0.00 2.99 3.07 0.00 0.00 6.36 7.76 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 34 K 8.44 3.90 0.00 1.89 1.92 0.00 1.79 0.00 0.00 1.83 0.00 0.00 3.10 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.51 1.55 7.81 35 C 8.19 4.47 0.00 3.21 3.34 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.82 4.38 0.00 3.16 3.10 0.00 0.00 6.71 8.63 0.00 0.00 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 F 8.49 3.40 0.00 2.98 3.13 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 0.00 0.00 0.00 38 C 8.45 3.68 0.00 1.55 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 N 7.81 4.28 0.00 2.94 2.91 0.00 0.00 7.02 6.65 0.00 0.00 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 A 7.73 4.03 1.16 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 41 V 7.40 3.19 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 -0.23 0.00 0.00 42 V 7.43 3.64 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 0.87 0.00 0.00 0.99 0.00 0.00 43 E 7.50 4.30 0.00 1.89 1.97 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 2.51 2.44 0.00 44 S 7.76 4.31 0.00 4.04 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 45 N 8.86 4.00 0.00 2.86 2.94 0.00 0.00 7.08 7.65 0.00 0.00 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 G 7.76 3.89 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 0.00 0.00 0.00 47 T 7.59 4.36 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 48 L 7.72 4.46 0.00 1.53 1.42 1.07 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 49 T 8.68 4.87 4.27 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 1.21 0.00 0.00 50 L 8.45 4.01 0.00 1.43 1.44 0.12 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 51 S 9.03 4.44 0.00 3.71 3.78 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.04 4.31 0.00 3.11 3.25 0.00 5.65 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 F 7.88 4.24 0.00 3.08 3.01 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 54 G 8.63 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 55 K 8.11 4.10 0.00 1.79 1.80 0.00 1.94 0.00 0.00 1.78 0.00 0.00 2.86 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.54 1.50 7.81 56 C 8.73 4.38 0.00 2.94 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