NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5249 8.3049 120.3327 54.8053 33.4503 174.8306 2 K 4.1191 8.5489 121.6124 55.7897 32.9600 175.6952 3 K 4.6622 9.4523 124.6369 56.7984 34.1465 175.1911 4 Y 4.9321 9.0431 119.4040 56.4559 42.3456 174.3344 5 T 5.0963 8.8702 116.9244 60.1210 70.9949 172.5593 6 C 3.3080 8.9543 129.5750 59.1243 31.8508 174.4190 7 T 3.9824 8.5396 117.4946 63.5519 68.9902 176.0899 8 V 3.7904 7.6633 122.0446 64.9844 31.7580 176.0065 9 C 4.6774 8.0421 110.3727 57.0753 30.9364 174.7236 10 G 3.9113 8.7102 109.3437 44.5976 0.0000 172.9601 11 Y 4.2531 7.8402 120.5990 58.5791 39.8189 175.0574 12 I 4.6883 7.6195 126.4566 59.5254 38.9070 174.7154 13 Y 4.1228 9.0485 130.1113 57.6063 39.8365 173.8702 14 N 4.8746 8.0237 126.8296 51.0150 40.2876 173.6915 15 P 4.2085 0.0000 0.0000 65.6853 31.6828 178.4683 16 E 4.1939 7.9958 117.5961 58.8600 29.6805 177.5501 17 D 4.4084 7.9048 117.5829 54.3925 41.9144 177.9538 18 G 4.1238 7.8252 107.3794 45.4010 0.0000 173.1213 19 D 4.9576 8.5879 111.8472 52.1597 41.8324 175.0362 20 P 4.4584 0.0000 0.0000 65.3099 32.0609 179.2330 21 D 4.4116 8.2875 117.4864 55.6149 39.0794 176.7064 22 N 4.9394 8.5720 115.7564 52.9011 39.3057 175.1412 23 G 3.8231 8.7898 106.0152 45.2571 0.0000 174.3047 24 V 4.0467 7.4194 119.9245 60.6304 31.7350 174.9022 25 N 4.7450 8.3322 125.1188 52.1250 39.1962 173.2959 26 P 4.4340 0.0000 0.0000 64.6493 31.7721 177.0499 27 G 3.9632 9.2460 111.2763 45.3728 0.0000 173.6167 28 T 4.1379 7.3775 116.8520 62.4358 69.0475 174.2738 29 D 4.5133 8.6539 126.3003 54.2226 42.2187 176.6144 30 F 3.3299 9.0618 127.9864 61.0131 39.3384 177.1461 31 K 3.8454 7.5928 118.6068 58.8042 31.9679 176.8672 32 D 4.5136 7.5893 116.6175 54.5566 41.3527 176.9108 33 I 3.3960 6.7130 121.2549 60.1446 37.5781 174.2759 34 P 4.1917 0.0000 0.0000 63.2396 31.5884 176.7035 35 D 4.5711 8.5513 120.7925 55.3229 41.0086 176.5691 36 D 4.6632 7.8154 117.9518 52.8982 40.4748 176.4146 37 W 4.3115 8.2282 131.7110 58.0537 31.6812 175.0789 38 V 4.4508 7.2475 117.8169 58.7290 35.2643 174.8642 39 C 3.6129 8.4832 123.3156 59.3069 31.6121 173.2413 40 P 4.1661 0.0000 0.0000 64.7962 31.2742 176.9847 41 L 4.3610 7.4610 117.9253 55.5639 42.6895 176.7173 42 C 4.5863 7.9732 109.3418 57.2005 30.9324 174.7465 43 G 3.7765 8.0993 108.7334 44.9573 0.0000 173.8071 44 A 4.0843 7.5613 122.9004 51.2856 19.1584 175.7005 45 P 4.6539 0.0000 0.0000 62.1744 32.3747 177.4870 46 K 4.0676 8.3177 121.3228 59.8459 32.1285 178.0354 47 D 4.8031 8.2517 114.9815 54.1544 39.5574 176.1972 48 Q 4.6213 8.7327 118.8143 56.0643 28.9755 175.1876 49 F 5.1530 8.5095 117.3361 56.5275 40.7146 174.8022 50 E 4.9783 8.7015 119.5621 54.5500 33.3208 174.4148 51 E 3.1036 8.5327 120.2520 56.5861 29.5005 177.5927 52 V 3.3055 8.3022 124.5752 65.6311 31.6884 176.0630 53 E 4.2526 8.0553 117.3573 56.4552 31.2360 175.3677 54 E 4.1618 7.9127 124.8406 56.3602 29.6124 176.0533 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 4.52 0.00 2.13 2.12 0.00 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.86 0.00 2 K 8.55 4.12 0.00 1.94 1.57 0.00 1.85 0.00 0.00 1.93 0.00 0.00 2.89 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.58 7.81 3 K 9.45 4.66 0.00 1.67 1.72 0.00 1.57 0.00 0.00 1.77 0.00 0.00 2.89 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.50 1.46 7.81 4 Y 9.04 4.93 0.00 2.56 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.87 5.10 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 6 C 8.95 3.31 0.00 2.29 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 7 T 8.54 3.98 4.21 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 0.00 0.00 1.23 0.00 0.00 8 V 7.66 3.79 2.02 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 0.81 0.00 0.00 0.91 0.00 0.00 9 C 8.04 4.68 0.00 3.07 2.95 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 10 G 8.71 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 0.00 0.00 0.00 0.00 11 Y 7.84 4.25 0.00 3.13 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 12 I 7.62 4.69 1.69 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.94 0.83 0.00 0.00 13 Y 9.05 4.12 0.00 3.62 3.17 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.02 4.87 0.00 2.67 2.46 0.00 0.00 6.90 7.71 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 15 P 0.00 4.21 0.00 2.30 2.61 0.00 3.69 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.36 0.00 16 E 8.00 4.19 0.00 1.93 2.02 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 2.28 2.25 0.00 17 D 7.90 4.41 0.00 2.68 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 18 G 7.83 4.12 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 0.00 0.00 0.00 19 D 8.59 4.96 0.00 3.20 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 20 P 0.00 4.46 0.00 2.29 2.33 0.00 3.86 0.00 0.00 3.95 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 8.29 4.41 0.00 2.85 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 8.57 4.94 0.00 3.06 2.93 0.00 0.00 7.21 7.04 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 23 G 8.79 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.42 4.05 2.27 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 0.92 0.00 0.00 0.56 0.00 0.00 25 N 8.33 4.75 0.00 2.86 2.72 0.00 0.00 7.04 8.03 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 26 P 0.00 4.43 0.00 2.03 2.19 0.00 3.65 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 27 G 9.25 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 0.00 0.00 0.00 28 T 7.38 4.14 4.25 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 1.07 0.00 0.00 29 D 8.65 4.51 0.00 2.76 2.52 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 30 F 9.06 3.33 0.00 2.66 2.27 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 31 K 7.59 3.85 0.00 1.83 1.79 0.00 1.80 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.59 7.81 32 D 7.59 4.51 0.00 2.73 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 I 6.71 3.40 0.93 0.00 0.00 -1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 -0.10 0.03 0.00 0.00 34 P 0.00 4.19 0.00 2.29 1.93 0.00 3.36 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.04 0.00 35 D 8.55 4.57 0.00 2.63 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 7.82 4.66 0.00 2.78 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 37 W 8.23 4.31 0.00 3.27 2.99 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 0.00 38 V 7.25 4.45 1.99 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 0.69 0.00 0.00 0.66 0.00 0.00 39 C 8.48 3.61 0.00 3.19 2.83 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 0.00 0.00 0.00 40 P 0.00 4.17 0.00 2.05 2.22 0.00 3.03 0.00 0.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 2.12 0.00 41 L 7.46 4.36 0.00 1.58 1.73 1.13 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 42 C 7.97 4.59 0.00 2.99 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 8.10 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 0.00 0.00 0.00 44 A 7.56 4.08 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 45 P 0.00 4.65 0.00 2.45 2.02 0.00 3.65 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.09 0.00 46 K 8.32 4.07 0.00 2.22 1.89 0.00 1.28 0.00 0.00 1.64 0.00 0.00 2.24 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.46 1.18 7.81 47 D 8.25 4.80 0.00 2.92 2.84 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.73 4.62 0.00 2.31 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 49 F 8.51 5.15 0.00 3.43 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 50 E 8.70 4.98 0.00 2.00 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 2.19 2.26 0.00 51 E 8.53 3.10 0.00 1.62 1.59 0.00 0.00 0.00 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 2.13 0.00 52 V 8.30 3.31 2.06 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 0.67 0.00 0.00 0.86 0.00 0.00 53 E 8.06 4.25 0.00 1.86 1.81 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 2.13 2.25 0.00 54 E 7.91 4.16 0.00 1.75 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 2.23 2.37 0.00