NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 G 3.9322 8.3549 109.7292 45.4732 0.0000 172.9980 -1 S 4.4462 8.0445 114.8314 56.3420 66.5563 172.5565 0 H 4.5820 9.3544 122.0597 56.3609 30.8242 175.5109 1 M 3.3041 8.6856 119.2870 55.4197 29.6861 176.4320 2 L 4.7407 7.2822 118.2136 52.6873 43.6921 175.8703 3 C 4.1492 8.8609 123.2871 59.4518 31.8404 174.4697 4 A 3.9615 7.8791 129.6605 54.0055 18.3395 178.4313 5 I 4.1780 7.8478 116.1596 63.3567 37.9051 177.2878 6 S 4.3040 8.0705 112.0907 58.4731 63.5768 175.2302 7 G 3.9011 8.4235 108.7449 45.3818 0.0000 173.1885 8 K 4.5807 7.2770 117.7078 53.7037 34.6553 175.9033 9 V 4.2675 8.0958 120.6333 62.0436 31.7528 174.4678 10 P 4.7093 0.0000 0.0000 62.4015 32.0767 176.8788 11 R 4.0889 9.1620 120.9714 59.0254 30.1993 177.5957 12 R 4.6970 8.5321 118.7757 53.1691 31.7769 172.5755 13 P 4.9188 0.0000 0.0000 62.8044 33.0720 175.9680 14 V 4.9950 9.0402 114.7866 59.7145 36.9539 173.8106 15 L 5.2167 8.9296 123.8594 53.3496 44.9527 175.3292 16 S 4.8182 8.9872 121.6914 57.4361 63.0886 173.1523 17 P 4.4873 0.0000 0.0000 64.6704 31.7413 177.7745 18 K 4.1368 7.8364 118.8552 59.2352 32.1866 178.3342 19 S 4.4004 8.1936 110.6870 58.2303 63.7092 174.0138 20 R 3.9969 7.8500 119.1225 57.8117 28.4061 175.7606 21 T 4.6881 7.6561 111.5702 61.5482 72.5315 173.8081 22 I 4.4894 7.8893 124.6278 61.4484 38.5808 175.0531 23 F 5.1827 9.1184 123.6266 55.3939 44.1894 173.7367 24 E 4.2938 8.8683 121.5602 55.8287 30.3739 176.8777 25 K 3.8684 9.1403 128.6899 60.1592 32.2051 178.9837 26 S 4.1408 8.0536 113.5438 61.4126 62.9797 176.1645 27 L 4.0834 7.8525 122.1217 57.3036 41.5455 178.9146 28 L 3.8011 8.1456 120.4509 58.0040 41.8972 178.7864 29 E 3.9422 8.3815 118.7649 59.4305 29.3759 179.1310 30 Q 3.9239 8.2598 119.6076 59.2807 28.8150 177.6364 31 Y 3.7995 8.1458 120.6126 60.5223 38.8092 178.2858 32 V 3.6434 8.0312 119.1870 65.9732 31.4735 178.0185 33 K 3.9044 7.9861 117.1481 59.7580 31.9621 178.7284 34 D 4.4362 7.9911 118.1896 56.5178 40.9021 177.9108 35 T 4.3742 7.6446 107.4453 60.2232 70.5559 175.4052 36 G 3.8809 8.4512 109.8196 45.5990 0.0000 172.3186 37 N 5.5130 7.7779 115.5504 50.8356 42.5287 173.3096 38 D 4.5311 8.8804 119.8555 53.1787 41.7673 175.5127 39 P 4.0116 0.0000 0.0000 64.0104 31.7792 177.1413 40 I 4.1632 8.3898 120.0183 63.1498 37.9283 176.9243 41 T 4.1483 8.1331 107.3695 61.4830 69.4019 175.0980 42 N 4.4320 8.2469 117.6681 53.7693 37.0341 174.0259 43 E 4.3048 7.7632 118.2633 55.2946 30.8608 174.6658 44 P 4.9286 0.0000 0.0000 63.4573 32.0424 175.5557 45 L 4.8898 8.9263 125.3055 53.6707 45.3236 175.6874 46 S 4.8373 9.2344 121.9220 56.7210 65.0876 175.5630 47 I 3.7690 8.1942 123.6243 64.5141 37.0725 178.4547 48 E 4.1090 8.0767 118.4071 58.7423 29.4281 177.6563 49 E 4.2187 7.8422 117.2777 57.9086 29.9783 177.1854 50 I 3.9026 7.4684 120.1212 61.3095 38.1076 175.7659 51 V 4.2873 8.5290 126.1870 61.2741 33.0918 174.5780 52 E 4.5882 8.7989 128.0573 56.1473 30.4217 176.1793 53 I 4.2931 8.1233 125.2312 60.0771 38.5087 175.6767 54 V 3.9637 8.2937 126.8608 60.9550 32.3312 173.8110 55 P 4.2559 0.0000 0.0000 63.1879 31.7752 176.3768 56 S 4.3032 8.6004 117.0511 58.9363 62.7485 174.1262 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 -2 G 8.35 3.93 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 0.00 0.00 0.00 -1 S 8.04 4.45 0.00 3.84 3.68 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 0 H 9.35 4.58 0.00 3.11 3.19 0.00 5.94 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 M 8.69 3.30 0.00 2.26 2.26 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.54 0.00 2 L 7.28 4.74 0.00 1.55 1.53 0.89 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 3 C 8.86 4.15 0.00 2.92 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 4 A 7.88 3.96 0.85 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 5 I 7.85 4.18 2.02 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 1.52 0.93 0.98 0.00 0.00 6 S 8.07 4.30 0.00 3.99 4.02 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 0.00 0.00 0.00 7 G 8.42 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 8 K 7.28 4.58 0.00 1.85 1.69 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.51 7.81 9 V 8.10 4.27 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.92 0.00 0.00 10 P 0.00 4.71 0.00 2.18 2.06 0.00 3.73 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 11 R 9.16 4.09 0.00 1.95 2.00 0.00 3.11 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.61 0.00 12 R 8.53 4.70 0.00 1.81 1.83 0.00 3.13 0.00 0.00 3.23 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00 13 P 0.00 4.92 0.00 2.13 2.18 0.00 3.65 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.00 0.00 14 V 9.04 5.00 2.22 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 0.75 0.00 0.00 1.04 0.00 0.00 15 L 8.93 5.22 0.00 1.73 1.51 0.99 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 16 S 8.99 4.82 0.00 4.01 3.93 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 17 P 0.00 4.49 0.00 2.23 2.18 0.00 3.83 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.15 0.00 18 K 7.84 4.14 0.00 2.01 2.12 0.00 1.72 0.00 0.00 1.77 0.00 0.00 3.15 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.48 1.53 7.81 19 S 8.19 4.40 0.00 4.05 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 0.00 20 R 7.85 4.00 0.00 1.99 2.05 0.00 3.11 0.00 0.00 3.24 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 21 T 7.66 4.69 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 0.80 0.00 0.00 22 I 7.89 4.49 1.86 0.00 0.00 0.86 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 1.16 0.87 0.00 0.00 23 F 9.12 5.18 0.00 2.95 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 24 E 8.87 4.29 0.00 2.10 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 2.41 2.40 0.00 25 K 9.14 3.87 0.00 1.98 1.84 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.58 7.81 26 S 8.05 4.14 0.00 4.10 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 27 L 7.85 4.08 0.00 1.80 1.82 0.98 0.59 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 28 L 8.15 3.80 0.00 1.46 1.56 0.02 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 29 E 8.38 3.94 0.00 2.11 1.98 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 2.32 2.45 0.00 30 Q 8.26 3.92 0.00 2.31 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.56 0.00 31 Y 8.15 3.80 0.00 3.22 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 32 V 8.03 3.64 2.20 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 1.02 0.00 0.00 0.95 0.00 0.00 33 K 7.99 3.90 0.00 1.86 1.83 0.00 1.74 0.00 0.00 1.69 0.00 0.00 3.10 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.61 7.81 34 D 7.99 4.44 0.00 2.52 2.54 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 0.00 35 T 7.64 4.37 4.02 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 0.00 0.00 0.53 0.00 0.00 36 G 8.45 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 0.00 0.00 0.00 37 N 7.78 5.51 0.00 2.88 2.87 0.00 0.00 6.86 8.06 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 38 D 8.88 4.53 0.00 2.72 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.01 0.00 1.74 0.49 0.00 3.04 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.17 0.00 40 I 8.39 4.16 2.05 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.69 0.92 0.00 0.00 41 T 8.13 4.15 4.28 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 1.23 0.00 0.00 42 N 8.25 4.43 0.00 2.95 3.02 0.00 0.00 7.01 7.17 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 43 E 7.76 4.30 0.00 1.94 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.31 0.00 44 P 0.00 4.93 0.00 1.93 2.01 0.00 3.63 0.00 0.00 3.59 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 45 L 8.93 4.89 0.00 1.54 1.38 0.97 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 46 S 9.23 4.84 0.00 3.90 3.73 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.19 3.77 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.63 0.91 0.00 0.00 48 E 8.08 4.11 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 2.31 2.39 0.00 49 E 7.84 4.22 0.00 2.12 2.01 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 2.33 2.28 0.00 50 I 7.47 3.90 1.99 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.45 0.98 0.00 0.00 51 V 8.53 4.29 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 1.00 0.00 0.00 52 E 8.80 4.59 0.00 1.91 1.88 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 2.32 2.35 0.00 53 I 8.12 4.29 2.04 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.53 0.92 0.00 0.00 54 V 8.29 3.96 2.08 0.00 0.00 0.00 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 0.94 0.00 0.00 55 P 0.00 4.26 0.00 2.08 2.00 0.00 3.73 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 56 S 8.60 4.30 0.00 3.85 3.77 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