NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 S 4.5949 8.1885 115.4829 57.9611 64.6211 174.4949 6 A 3.8845 8.5906 124.8320 54.9087 18.3002 178.7689 7 L 3.6105 7.5222 117.4712 57.6683 42.0653 178.1140 8 S 4.4051 8.0549 114.2439 61.8650 63.0192 176.1345 9 Y 4.0373 8.2359 120.4462 60.5572 37.5923 178.4218 10 A 4.0371 8.4982 121.8350 55.0539 18.4498 179.5790 11 A 4.0055 8.0239 119.0273 55.3883 18.5159 179.9090 12 L 3.9742 7.8970 117.3589 57.9679 41.5821 179.8502 13 I 3.7567 7.9203 119.7865 64.3160 36.9562 178.4568 14 L 4.0651 8.3538 120.9357 57.2575 41.3365 179.4980 15 A 4.0180 8.2264 120.7211 55.2089 18.0742 179.4079 16 D 4.3483 8.1001 116.8858 57.5559 40.6824 178.9643 17 S 4.2421 8.3864 114.9200 59.7958 62.7135 175.3817 18 E 4.3013 7.8708 120.6157 56.1759 27.7679 174.3978 19 I 4.5623 7.5471 118.8971 59.1531 39.5534 175.7742 20 E 4.0836 8.5265 122.8898 56.5605 29.8757 177.6099 21 I 4.1773 8.0979 123.6904 60.2868 36.2746 175.4237 22 S 4.8465 7.9661 120.2116 55.3564 67.6870 174.7316 23 S 4.1256 8.4901 115.8666 61.6297 62.5906 176.2015 24 E 3.9515 8.1135 121.8067 59.0974 29.2049 179.3936 25 K 3.9920 7.5352 118.7594 59.4630 32.0351 179.5088 26 L 4.0205 8.1974 119.4263 57.7245 41.4336 179.5230 27 L 4.5363 8.3463 120.5589 57.4391 41.5732 179.7000 28 T 3.8520 8.1115 109.8059 64.8832 68.7260 176.6232 29 L 4.0063 7.6981 122.4605 57.3891 41.5148 179.5229 30 T 3.8223 8.1206 109.9694 65.0274 68.4022 176.2480 31 N 4.2811 8.2271 118.4304 55.7991 38.6275 176.8959 32 A 4.0915 7.9112 120.9397 55.1157 18.4974 179.2100 33 A 3.9715 7.7192 118.4865 53.8971 18.5024 178.2037 34 N 4.4946 7.7800 111.9149 52.8695 37.4899 174.4736 35 V 3.9555 7.2204 118.3679 60.8490 32.5433 173.9253 36 P 4.3737 0.0000 0.0000 62.6711 31.8958 175.5961 37 D 4.5232 8.3703 120.6061 53.9130 41.4988 175.7914 38 E 4.6388 8.3846 122.0189 54.3983 32.5383 176.4800 39 N 4.5701 8.9887 122.0609 56.5109 39.3244 177.5382 40 I 3.8130 8.0924 118.6066 64.1633 37.2143 178.4044 41 W 4.3375 8.1555 119.7738 59.9839 28.9627 178.5305 42 A 4.1891 8.1990 120.1671 55.3032 17.8205 179.2397 43 D 4.3728 8.2298 117.1789 57.5748 40.8038 179.0181 44 I 3.7415 7.9885 120.3200 64.3978 37.1347 178.5226 45 F 3.6500 8.5187 118.3912 60.4210 38.6677 177.6194 46 A 4.0891 8.3805 120.4799 55.1372 17.9542 179.8571 47 K 4.0563 7.9853 115.8541 59.4409 32.1711 179.1715 48 A 4.0523 7.9913 120.4295 55.2440 18.3175 179.5638 49 L 4.9679 7.8904 118.5463 56.3536 41.7502 177.5118 50 D 4.2874 7.7432 118.5690 55.9757 41.2230 176.6337 51 G 3.9395 8.7631 109.4618 46.3564 0.0000 172.9785 52 Q 4.5434 7.4269 118.0046 53.6741 30.7273 175.2919 53 N 4.6070 8.4586 119.1352 53.0013 38.5719 176.0467 54 L 4.0323 8.3421 126.9473 57.4155 41.6690 179.3949 55 K 3.9703 7.9570 117.0514 59.7717 32.1962 178.6465 56 D 4.4994 7.9782 117.0242 57.2473 40.9343 178.3640 57 L 4.1425 7.7307 119.6085 57.8798 41.4805 179.3916 58 L 4.1859 7.7015 117.1360 57.1809 41.6424 178.2162 59 V 4.3463 7.5124 115.9309 62.6407 32.4354 174.1006 60 N 4.9168 7.5071 114.7368 51.6070 41.6264 173.6041 61 F 5.0029 9.0617 129.5017 58.3348 41.0096 174.4636 62 S 4.4399 7.9016 122.0850 58.6060 62.9071 168.4412 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 5 S 8.19 4.59 0.00 4.17 4.24 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 6 A 8.59 3.88 1.30 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 0.00 0.00 0.00 7 L 7.52 3.61 0.00 0.44 0.13 0.82 0.50 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 8 S 8.05 4.41 0.00 4.04 4.36 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 9 Y 8.24 4.04 0.00 3.14 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 10 A 8.50 4.04 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.02 4.01 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.90 3.97 0.00 1.75 1.74 0.79 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 13 I 7.92 3.76 1.91 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.90 0.93 0.00 0.00 14 L 8.35 4.07 0.00 1.89 1.89 0.96 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 15 A 8.23 4.02 1.34 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 0.00 0.00 16 D 8.10 4.35 0.00 2.83 2.76 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 0.00 0.00 0.00 17 S 8.39 4.24 0.00 4.04 4.13 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 18 E 7.87 4.30 0.00 2.01 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 0.00 2.20 2.38 0.00 19 I 7.55 4.56 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.59 0.92 0.00 0.00 20 E 8.53 4.08 0.00 1.97 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 2.33 2.34 0.00 21 I 8.10 4.18 1.91 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.54 0.99 0.00 0.00 22 S 7.97 4.85 0.00 4.00 3.96 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 23 S 8.49 4.13 0.00 4.10 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 0.00 24 E 8.11 3.95 0.00 2.04 2.05 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 2.41 2.42 0.00 25 K 7.54 3.99 0.00 2.02 1.87 0.00 1.93 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.49 7.81 26 L 8.20 4.02 0.00 1.70 1.71 1.01 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 27 L 8.35 4.54 0.00 1.89 1.71 0.94 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 28 T 8.11 3.85 4.24 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 1.33 0.00 0.00 29 L 7.70 4.01 0.00 1.67 1.75 0.93 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 30 T 8.12 3.82 4.18 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 1.17 0.00 0.00 31 N 8.23 4.28 0.00 2.87 2.91 0.00 0.00 7.06 7.96 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 32 A 7.91 4.09 1.34 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 0.00 0.00 33 A 7.72 3.97 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 34 N 7.78 4.49 0.00 2.70 3.27 0.00 0.00 6.96 8.99 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 35 V 7.22 3.96 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 0.69 0.00 0.00 0.85 0.00 0.00 36 P 0.00 4.37 0.00 2.12 1.98 0.00 3.42 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 2.01 0.00 37 D 8.37 4.52 0.00 2.67 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 38 E 8.38 4.64 0.00 1.83 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 0.00 2.19 2.12 0.00 39 N 8.99 4.57 0.00 2.80 2.91 0.00 0.00 7.11 7.14 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 40 I 8.09 3.81 2.12 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.95 0.89 0.00 0.00 41 W 8.16 4.34 0.00 3.32 3.28 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 42 A 8.20 4.19 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.23 4.37 0.00 2.80 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 44 I 7.99 3.74 2.19 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.83 0.87 0.00 0.00 45 F 8.52 3.65 0.00 3.35 3.19 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 46 A 8.38 4.09 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.99 4.06 0.00 1.90 1.87 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.47 7.81 48 A 7.99 4.05 1.06 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 0.00 0.00 49 L 7.89 4.97 0.00 1.89 1.74 1.04 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 50 D 7.74 4.29 0.00 2.81 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 51 G 8.76 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 52 Q 7.43 4.54 0.00 2.24 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.82 6.94 0.00 0.00 0.00 0.00 0.00 2.27 2.52 0.00 53 N 8.46 4.61 0.00 2.73 2.80 0.00 0.00 7.11 6.74 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 54 L 8.34 4.03 0.00 1.70 1.74 0.94 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 55 K 7.96 3.97 0.00 1.73 1.89 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.55 7.81 56 D 7.98 4.50 0.00 2.64 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 57 L 7.73 4.14 0.00 1.86 1.83 0.93 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 58 L 7.70 4.19 0.00 1.86 1.85 0.95 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 59 V 7.51 4.35 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 0.80 0.00 0.00 0.98 0.00 0.00 60 N 7.51 4.92 0.00 1.77 2.30 0.00 0.00 6.93 7.45 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 61 F 9.06 5.00 0.00 3.04 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 62 S 7.90 4.44 0.00 4.13 4.19 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