NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 R 4.2874 8.1127 119.7053 55.9870 31.5861 173.7059 5 E 4.7109 8.2598 120.3633 53.1003 32.3252 173.7397 6 C 4.1649 9.5873 127.6865 59.6832 32.5182 173.4751 7 D 4.4159 8.5475 126.6398 55.9748 39.7934 175.9493 8 Y 4.4338 7.2809 118.5705 58.7094 41.1074 176.2507 9 C 3.9740 8.0015 114.3592 59.1322 30.8207 175.3326 10 G 3.9516 8.3733 107.6291 45.2710 0.0000 173.5967 11 T 4.3196 7.7197 109.4693 61.4196 70.4487 173.3013 12 D 4.9365 8.4872 122.1880 54.2931 41.7349 176.4123 13 I 4.1105 8.4929 125.0865 60.1109 37.6795 175.6906 14 E 3.8866 8.9874 128.9254 55.5642 29.7564 174.7984 15 P 4.2401 0.0000 0.0000 64.4490 31.5362 175.6862 16 G 3.8912 9.2873 106.7419 46.5484 0.0000 173.3455 17 T 4.4743 7.8922 113.0362 62.8805 72.5552 174.5411 18 G 4.1363 9.0573 108.6367 45.7355 0.0000 172.5842 19 T 4.8196 8.3559 113.5416 61.7147 72.6998 173.0850 20 M 5.0885 8.7324 123.8999 53.8867 34.4491 174.3793 21 F 4.8701 9.3672 129.5277 56.9732 41.4902 174.3737 22 V 4.3617 7.5580 126.1440 61.4363 32.5531 175.3746 23 H 4.1665 8.8257 125.8727 54.8969 29.5778 176.6077 24 K 3.8653 8.7568 122.0696 59.7925 31.8835 177.9261 25 D 4.3953 7.9800 115.8959 54.3536 39.4463 176.5908 26 G 3.9381 7.7357 105.9560 45.0658 0.0000 174.1093 27 A 4.2547 9.3795 123.2415 52.5015 19.6938 176.5690 28 T 5.0578 8.3732 115.2149 62.0801 72.0920 174.0475 29 T 4.6483 8.7693 121.1979 62.2400 72.3572 172.6250 30 H 5.0635 9.9035 125.1102 54.9276 30.6142 174.6995 31 F 5.3557 9.5596 122.0333 55.9735 41.6587 176.1971 32 C 4.4780 9.0589 116.0093 59.5596 30.7925 173.5979 33 S 4.6007 7.5302 114.4730 56.4762 66.3000 175.6833 34 S 4.7258 8.3429 118.2806 60.7605 62.7608 176.0584 35 K 3.7449 8.0355 122.8158 59.6451 31.7347 178.3536 36 C 4.2565 7.7809 115.1688 62.8522 28.1755 175.6118 37 E 2.6820 7.5391 119.6007 59.3699 28.7487 179.3764 38 N 4.1836 8.3186 116.3763 56.4111 38.1756 177.3132 39 N 4.3969 8.1318 117.6461 56.0101 38.5443 177.4609 40 A 4.0593 7.7850 122.5758 55.2975 18.3313 179.4173 41 D 4.2881 7.9753 116.0719 56.8846 40.8977 178.1729 42 L 4.3177 7.3199 117.5608 54.8314 41.8906 177.7213 43 G 3.9744 8.5384 107.8597 45.4612 0.0000 174.0853 44 R 4.3028 7.4881 117.7778 55.5493 31.0899 175.6557 45 E 4.6019 8.4945 119.9062 54.3111 31.5039 176.9106 46 A 3.4611 8.1946 126.6796 55.2739 18.3621 179.7500 47 R 3.8041 7.6826 113.3844 59.0108 30.1888 177.1695 48 N 4.5372 8.2642 113.2987 53.1198 39.1018 174.6562 49 L 4.4994 7.2777 120.3335 52.6405 42.3559 177.2135 50 E 4.0010 8.8242 124.6538 58.5496 29.5553 178.4101 51 W 4.5058 7.6164 114.0712 57.8726 29.1205 176.8049 52 T 3.7588 6.9560 117.8449 63.0246 68.3486 175.0347 53 D 4.2873 8.8026 126.1671 57.8916 40.6599 177.7516 54 T 3.6871 7.5672 114.4388 66.7470 68.8653 174.8654 55 A 3.9800 7.7710 124.6065 55.4421 18.6950 177.6597 56 R 4.0902 7.9135 118.3834 56.5765 30.0783 176.3790 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 4 R 8.11 4.29 0.00 1.88 1.89 0.00 3.00 0.00 0.00 3.19 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 5 E 8.26 4.71 0.00 1.95 1.76 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 0.00 2.18 2.39 0.00 6 C 9.59 4.16 0.00 3.09 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 7 D 8.55 4.42 0.00 2.65 2.63 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 8 Y 7.28 4.43 0.00 2.88 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.00 3.97 0.00 3.09 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 10 G 8.37 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 11 T 7.72 4.32 4.30 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 0.00 0.00 0.00 1.33 0.00 0.00 12 D 8.49 4.94 0.00 2.61 2.66 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 13 I 8.49 4.11 1.90 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.59 0.96 0.00 0.00 14 E 8.99 3.89 0.00 1.93 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 2.32 2.40 0.00 15 P 0.00 4.24 0.00 2.22 2.08 0.00 3.94 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.00 0.00 16 G 9.29 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 17 T 7.89 4.47 4.54 0.00 0.00 0.00 0.00 0.00 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 G 9.06 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 19 T 8.36 4.82 4.48 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 1.30 0.00 0.00 20 M 8.73 5.09 0.00 1.97 1.85 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.38 0.00 21 F 9.37 4.87 0.00 3.29 3.18 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 0.00 0.00 0.00 0.00 22 V 7.56 4.36 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.83 0.00 0.00 23 H 8.83 4.17 0.00 3.32 3.25 0.00 5.68 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 K 8.76 3.87 0.00 1.74 1.88 0.00 1.80 0.00 0.00 1.78 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.45 7.81 25 D 7.98 4.40 0.00 2.82 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.74 3.94 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 0.00 0.00 0.00 27 A 9.38 4.25 1.18 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 0.00 0.00 0.00 0.00 0.00 0.00 28 T 8.37 5.06 4.26 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 1.18 0.00 0.00 29 T 8.77 4.65 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.00 0.00 30 H 9.90 5.06 0.00 3.05 3.25 0.00 5.76 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 F 9.56 5.36 0.00 2.98 3.04 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 32 C 9.06 4.48 0.00 3.16 3.15 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 0.00 33 S 7.53 4.60 0.00 4.04 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 34 S 8.34 4.73 0.00 3.98 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 35 K 8.04 3.74 0.00 1.74 1.83 0.00 1.38 0.00 0.00 1.41 0.00 0.00 2.13 0.00 0.00 2.31 0.00 0.00 0.00 0.00 1.37 1.34 7.81 36 C 7.78 4.26 0.00 3.42 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 37 E 7.54 2.68 0.00 1.69 1.21 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 1.47 2.17 0.00 38 N 8.32 4.18 0.00 2.77 2.78 0.00 0.00 7.12 6.93 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 39 N 8.13 4.40 0.00 3.14 3.13 0.00 0.00 6.90 7.00 0.00 0.00 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 7.79 4.06 1.15 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 0.00 0.00 0.00 41 D 7.98 4.29 0.00 2.65 2.65 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 0.00 0.00 0.00 0.00 42 L 7.32 4.32 0.00 1.85 1.73 0.94 0.87 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 43 G 8.54 3.97 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 0.00 0.00 0.00 44 R 7.49 4.30 0.00 2.17 1.98 0.00 3.26 0.00 0.00 3.36 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.67 0.00 45 E 8.49 4.60 0.00 1.96 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 0.00 2.34 2.29 0.00 46 A 8.19 3.46 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.68 3.80 0.00 1.72 1.92 0.00 3.13 0.00 0.00 3.16 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.54 0.00 48 N 8.26 4.54 0.00 2.73 2.82 0.00 0.00 6.90 7.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.28 4.50 0.00 1.16 0.87 1.17 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 50 E 8.82 4.00 0.00 2.02 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 0.00 2.31 2.31 0.00 51 W 7.62 4.51 0.00 3.54 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 52 T 6.96 3.76 3.99 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 0.00 0.00 0.96 0.00 0.00 53 D 8.80 4.29 0.00 2.80 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 54 T 7.57 3.69 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 1.06 0.00 0.00 55 A 7.77 3.98 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 56 R 7.91 4.09 0.00 1.94 1.84 0.00 3.21 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.64 0.00