NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4789 8.1633 120.3554 55.3599 32.9828 175.9531 2 T 3.8325 8.5051 124.6181 66.2591 68.0086 175.0894 3 I 3.8982 8.5614 122.9036 64.3237 37.4258 177.9726 4 L 4.0461 7.7237 119.2809 57.8038 41.4376 179.3574 5 F 4.1028 8.2296 120.1796 61.3301 39.2160 176.8573 6 Q 4.1180 8.5861 117.0960 57.7112 28.3678 177.6600 7 L 4.5631 7.5500 118.9986 55.7677 43.0437 178.5298 8 A 3.9894 9.0077 122.0003 55.3952 18.3639 179.0034 9 L 4.0006 8.4750 118.8795 58.1904 42.1740 178.7381 10 A 4.1297 7.9108 120.8466 55.0764 18.2506 179.6750 11 A 3.8720 8.0754 119.6234 55.4362 18.4764 179.7065 12 L 3.9355 8.3011 118.8702 58.3452 41.9762 178.2073 13 V 3.8057 8.4953 119.8246 64.8432 31.3588 177.4227 14 I 3.5026 8.2577 119.0730 64.5229 37.2358 178.0490 15 L 3.9030 7.8908 120.7239 58.4235 41.9427 179.2543 16 S 3.8404 7.6164 114.7762 61.4366 62.4803 176.3835 17 F 3.8451 8.3287 119.7136 61.1769 38.8992 177.6975 18 V 3.7271 8.1974 117.5888 65.9987 31.3047 177.7500 19 M 4.0448 8.5871 117.5486 58.8309 32.2860 178.8563 20 V 3.6256 7.7840 117.9618 65.3321 30.6747 177.1662 21 I 4.3201 8.6903 120.0785 63.1007 37.9427 177.7783 22 G 3.5024 8.2269 106.3640 47.6369 0.0000 176.2744 23 V 3.6576 7.9418 121.2993 64.7151 32.2083 176.3509 24 P 4.2450 0.0000 0.0000 65.5978 31.2241 178.8613 25 V 3.6904 7.4395 116.9995 65.8076 31.1603 177.7927 26 A 4.2004 8.2316 119.9754 54.6011 18.4002 176.8498 27 Y 4.4911 8.1757 114.4815 58.8768 38.9047 176.5335 28 A 4.7099 7.2381 121.8254 52.7206 18.6088 179.3585 29 S 3.8167 7.4109 117.6614 59.9382 64.4262 173.1302 30 P 4.5167 0.0000 0.0000 62.9171 30.9186 175.5115 31 Q 4.3857 7.6625 120.5524 55.3919 29.6041 174.3273 32 D 4.3498 7.6680 123.9449 51.7117 40.5876 177.9719 33 W 4.2472 9.1041 121.8456 58.4950 28.8246 178.2094 34 D 3.4007 7.0792 119.6863 57.2102 39.9483 178.9182 35 R 3.9067 7.5855 117.5405 59.3994 29.9923 179.2601 36 S 4.2554 7.3284 113.4057 61.6085 63.0245 176.7152 37 K 4.3626 8.9047 121.8555 59.6617 31.2138 178.7110 38 Q 3.9109 7.7461 117.6366 58.9676 28.5408 178.6349 39 L 4.0948 7.8426 119.9985 58.4394 41.7112 179.7950 40 I 3.8523 7.7025 119.8787 64.4389 37.1195 178.2531 41 F 4.2254 9.0150 117.9086 59.6870 38.6823 177.4321 42 L 4.1528 7.8098 119.8963 58.0848 42.0260 178.8145 43 G 3.6428 8.5288 106.0531 48.0245 0.0000 175.8046 44 S 4.3222 8.7142 118.0880 61.1903 62.5453 177.0544 45 G 3.5594 8.2938 108.5207 47.7345 0.0000 175.3715 46 L 4.0580 8.7861 124.7711 57.9290 42.1124 178.3153 47 W 4.3621 9.1471 129.1714 60.5896 30.0792 177.3794 48 I 3.6756 8.1282 118.6212 63.8301 37.3706 178.1568 49 A 4.0230 7.8139 121.3576 55.1836 18.4115 179.3778 50 L 3.9761 8.1071 117.6457 58.0687 41.5665 179.7735 51 V 3.7427 8.6598 118.3689 66.3424 31.4216 177.9849 52 L 4.1005 7.6466 117.2646 57.1574 41.2927 179.2656 53 V 3.4934 7.6202 118.1097 65.6445 31.7584 177.5537 54 V 3.1831 7.8993 117.8450 66.1164 31.4338 177.9400 55 G 3.8538 7.7502 104.9399 48.3282 0.0000 175.6151 56 V 3.6750 7.5752 119.6569 65.0803 31.5028 177.7458 57 L 3.9550 7.6736 118.2854 55.4827 41.4679 176.6194 58 N 4.6508 7.8496 119.7601 53.7655 39.1470 173.8400 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 8.16 4.48 0.00 2.09 2.06 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.60 0.00 2 T 8.51 3.83 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 1.21 0.00 0.00 3 I 8.56 3.90 1.89 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 1.65 0.92 0.93 0.00 0.00 4 L 7.72 4.05 0.00 1.86 1.72 0.93 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 5 F 8.23 4.10 0.00 3.11 2.94 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 6 Q 8.59 4.12 0.00 2.32 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.36 0.00 0.00 0.00 0.00 0.00 2.34 2.61 0.00 7 L 7.55 4.56 0.00 1.84 1.70 0.93 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 8 A 9.01 3.99 1.29 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 0.00 0.00 0.00 9 L 8.47 4.00 0.00 2.12 1.75 1.05 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 10 A 7.91 4.13 1.36 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 11 A 8.08 3.87 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.30 3.94 0.00 1.74 1.81 0.36 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 13 V 8.50 3.81 2.17 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 1.20 0.00 0.00 1.04 0.00 0.00 14 I 8.26 3.50 1.81 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.50 0.84 0.00 0.00 15 L 7.89 3.90 0.00 1.86 1.55 0.98 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 16 S 7.62 3.84 0.00 3.77 3.55 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.33 3.85 0.00 3.06 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 18 V 8.20 3.73 2.28 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 1.04 0.00 0.00 1.04 0.00 0.00 19 M 8.59 4.04 0.00 2.15 2.19 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.86 0.00 20 V 7.78 3.63 2.09 0.00 0.00 0.00 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 0.89 0.00 0.00 21 I 8.69 4.32 1.98 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 1.45 1.07 0.93 0.00 0.00 22 G 8.23 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.94 3.66 2.10 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 0.96 0.00 0.00 1.03 0.00 0.00 24 P 0.00 4.24 0.00 2.19 2.02 0.00 3.72 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 2.22 2.04 0.00 25 V 7.44 3.69 2.24 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 1.06 0.00 0.00 0.97 0.00 0.00 26 A 8.23 4.20 1.57 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 0.00 0.00 27 Y 8.18 4.49 0.00 3.02 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 28 A 7.24 4.71 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 29 S 7.41 3.82 0.00 3.86 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 30 P 0.00 4.52 0.00 2.25 2.15 0.00 3.78 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.97 0.00 31 Q 7.66 4.39 0.00 2.01 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.53 6.43 0.00 0.00 0.00 0.00 0.00 2.29 2.32 0.00 32 D 7.67 4.35 0.00 2.78 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 33 W 9.10 4.25 0.00 3.63 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 34 D 7.08 3.40 0.00 2.42 2.36 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 35 R 7.59 3.91 0.00 1.81 1.93 0.00 3.10 0.00 0.00 3.31 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 36 S 7.33 4.26 0.00 3.75 4.01 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 37 K 8.90 4.36 0.00 2.21 2.14 0.00 1.96 0.00 0.00 2.56 0.00 0.00 3.09 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.88 1.74 7.81 38 Q 7.75 3.91 0.00 2.37 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.68 0.00 0.00 0.00 0.00 0.00 2.24 2.41 0.00 39 L 7.84 4.09 0.00 1.82 1.81 0.98 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 40 I 7.70 3.85 2.25 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.00 0.73 0.00 0.00 41 F 9.01 4.23 0.00 3.00 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 42 L 7.81 4.15 0.00 2.01 1.77 0.95 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 43 G 8.53 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.71 4.32 0.00 3.88 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 45 G 8.29 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.79 4.06 0.00 2.03 1.91 0.97 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 47 W 9.15 4.36 0.00 3.43 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 48 I 8.13 3.68 1.59 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.04 0.97 0.00 0.00 49 A 7.81 4.02 1.45 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 0.00 0.00 0.00 0.00 0.00 0.00 50 L 8.11 3.98 0.00 1.98 1.81 0.98 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 51 V 8.66 3.74 2.33 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 1.07 0.00 0.00 1.31 0.00 0.00 52 L 7.65 4.10 0.00 1.85 1.69 0.91 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 53 V 7.62 3.49 2.17 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 0.71 0.00 0.00 0.96 0.00 0.00 54 V 7.90 3.18 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 1.10 0.00 0.00 0.93 0.00 0.00 55 G 7.75 3.85 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 0.00 0.00 0.00 56 V 7.58 3.68 2.19 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 0.84 0.00 0.00 1.00 0.00 0.00 57 L 7.67 3.96 0.00 1.27 1.46 0.58 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 58 N 7.85 4.65 0.00 2.94 2.87 0.00 0.00 6.86 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