NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4697 8.2893 120.3261 54.1426 33.5882 174.4681 2 P 4.3047 0.0000 0.0000 62.5070 32.5093 174.6929 3 R 4.3849 9.6131 123.0749 56.3660 32.1248 176.5004 4 L 4.8259 9.2511 123.3519 53.0972 44.0806 175.4432 5 K 4.8003 8.3644 125.5279 55.5473 34.5456 175.9179 6 V 4.8241 8.6582 119.8861 59.9189 35.6795 173.8917 7 K 5.3326 8.6186 127.6202 53.8345 34.4278 175.0829 8 L 4.6511 8.3703 128.8933 55.2431 43.0306 177.0353 9 V 4.3611 8.9066 116.2903 62.0924 35.8229 175.8462 10 K 4.4615 7.8873 120.2399 53.9752 33.5765 175.5767 11 S 4.1987 8.7123 121.2473 58.0163 62.8097 172.2489 12 P 4.6297 0.0000 0.0000 63.9230 31.5957 176.2495 13 I 3.8525 7.0820 119.5913 63.2607 37.3920 176.5381 14 G 3.9776 8.8713 112.2262 45.9567 0.0000 173.4975 15 Y 4.2543 7.6878 117.6100 56.8218 38.2111 174.0006 16 P 4.2108 0.0000 0.0000 62.0372 33.5845 176.9318 17 K 3.8624 8.8865 122.5067 59.8434 31.9960 178.2819 18 D 4.3883 8.2431 118.6616 57.1984 38.9616 178.8950 19 Q 4.0047 7.8292 119.0126 57.9993 28.7947 178.8421 20 K 3.8813 8.0119 119.4385 59.7261 32.1734 179.0743 21 A 4.1487 8.0220 120.3118 54.4793 18.2906 179.6519 22 A 3.8876 7.7911 119.2070 55.5291 18.5983 179.6295 23 L 4.1893 7.8947 117.2652 57.6271 41.5797 179.9119 24 K 3.9289 7.5902 118.5922 59.3594 31.9665 178.7865 25 A 4.0872 7.7912 120.0241 54.8437 18.3601 178.8358 26 L 4.3078 8.3118 114.7487 54.4683 41.5021 177.4020 27 G 3.9684 7.6460 106.3398 46.5658 0.0000 175.3946 28 L 4.5330 7.8860 121.9241 52.3097 40.3133 177.1885 29 R 3.6366 8.5192 119.3929 58.0561 30.0595 178.8520 30 R 4.5817 8.0218 119.7252 54.1334 33.2919 176.0857 31 L 4.0620 8.0948 118.7304 56.0345 42.5378 176.4687 32 Q 3.5285 8.4099 119.9462 56.7630 27.2168 173.1299 33 Q 4.3784 7.4352 119.3893 55.2731 30.1876 175.5537 34 E 4.5017 8.8176 125.8197 56.2957 31.2724 176.5755 35 R 4.3952 7.6969 115.0605 56.1829 33.8231 172.4997 36 V 4.9648 8.3721 126.8455 61.2619 32.8725 174.6214 37 L 4.5782 9.0174 126.9343 54.3874 44.1584 174.3047 38 E 4.1361 8.7574 119.3548 57.1283 30.1067 177.5072 39 D 4.7307 8.1546 124.0816 53.2997 40.0021 175.6638 40 T 4.5496 7.8039 114.0868 58.7188 71.9027 174.9018 41 P 4.2010 0.0000 0.0000 65.8105 31.3711 178.9037 42 A 4.0925 7.9314 118.8905 54.6897 18.3987 179.6999 43 I 3.6955 7.8531 118.6504 64.6997 37.1933 178.5523 44 R 4.0079 7.9665 118.9155 59.2935 29.6773 178.9923 45 G 3.9234 7.6754 103.9554 48.2494 0.0000 175.1505 46 N 4.4465 7.7631 117.8924 56.0662 38.5152 177.6222 47 V 3.5774 7.6067 119.1129 66.0968 31.3397 177.6158 48 E 3.9116 8.7416 119.4016 59.1309 29.3080 178.6343 49 K 3.9162 7.7256 117.2935 59.7325 32.4597 179.2880 50 V 3.6826 7.0135 108.9794 61.4395 31.1404 177.6906 51 A 3.9196 7.7981 125.2618 55.8483 18.1285 180.1341 52 H 4.3891 7.9413 105.6294 56.5880 28.2737 175.3585 53 L 4.8041 8.1596 117.7851 54.5313 44.3377 176.2083 54 V 4.9350 7.9755 111.5064 59.9107 36.2048 174.3387 55 R 4.5836 8.6478 122.8748 54.5413 32.4737 175.2084 56 V 4.6247 8.3495 123.7509 61.6093 32.9381 175.2186 57 E 4.5916 9.0762 128.4154 55.1409 32.3864 174.8991 58 V 4.4420 8.0471 119.2646 61.3954 34.5607 175.3542 59 V 4.0889 8.8170 126.9344 63.2809 31.8882 174.2915 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 8.29 4.47 0.00 2.02 2.09 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.53 0.00 2 P 0.00 4.30 0.00 2.19 2.17 0.00 3.69 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.06 0.00 3 R 9.61 4.38 0.00 1.91 1.88 0.00 3.10 0.00 0.00 3.16 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 4 L 9.25 4.83 0.00 1.52 1.56 1.00 -0.17 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 5 K 8.36 4.80 0.00 1.79 1.65 0.00 1.57 0.00 0.00 1.64 0.00 0.00 2.82 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.38 1.40 7.81 6 V 8.66 4.82 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 0.69 0.00 0.00 0.96 0.00 0.00 7 K 8.62 5.33 0.00 1.84 1.64 0.00 1.82 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.34 1.32 7.81 8 L 8.37 4.65 0.00 1.75 1.49 0.90 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 9 V 8.91 4.36 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 0.75 0.00 0.00 0.95 0.00 0.00 10 K 7.89 4.46 0.00 1.71 1.72 0.00 1.88 0.00 0.00 1.72 0.00 0.00 3.13 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.41 1.44 7.81 11 S 8.71 4.20 0.00 3.90 3.83 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 12 P 0.00 4.63 0.00 2.31 2.29 0.00 3.81 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 2.11 2.00 0.00 13 I 7.08 3.85 1.90 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 1.26 0.82 0.90 0.00 0.00 14 G 8.87 3.98 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 0.00 0.00 0.00 15 Y 7.69 4.25 0.00 3.31 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 16 P 0.00 4.21 0.00 2.33 2.03 0.00 3.97 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 2.24 2.25 0.00 17 K 8.89 3.86 0.00 1.80 1.85 0.00 1.77 0.00 0.00 1.88 0.00 0.00 3.07 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.53 1.48 7.81 18 D 8.24 4.39 0.00 2.91 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 19 Q 7.83 4.00 0.00 2.16 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.78 0.00 0.00 0.00 0.00 0.00 2.40 2.58 0.00 20 K 8.01 3.88 0.00 2.01 1.89 0.00 1.71 0.00 0.00 1.83 0.00 0.00 2.99 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.81 1.65 7.81 21 A 8.02 4.15 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 22 A 7.79 3.89 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 23 L 7.89 4.19 0.00 1.84 1.73 0.93 0.79 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 24 K 7.59 3.93 0.00 1.92 1.93 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.45 7.81 25 A 7.79 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 26 L 8.31 4.31 0.00 1.56 1.69 0.91 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 27 G 7.65 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 28 L 7.89 4.53 0.00 1.79 1.63 0.89 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 29 R 8.52 3.64 0.00 1.81 1.79 0.00 3.29 0.00 0.00 3.27 7.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.74 0.00 30 R 8.02 4.58 0.00 1.89 1.94 0.00 3.04 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.58 0.00 31 L 8.09 4.06 0.00 1.75 1.57 0.96 0.72 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 32 Q 8.41 3.53 0.00 2.25 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.52 0.00 0.00 0.00 0.00 0.00 2.30 2.42 0.00 33 Q 7.44 4.38 0.00 2.45 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.18 6.88 0.00 0.00 0.00 0.00 0.00 2.32 2.33 0.00 34 E 8.82 4.50 0.00 1.89 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 2.31 2.25 0.00 35 R 7.70 4.40 0.00 1.91 1.93 0.00 3.12 0.00 0.00 3.09 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.44 0.00 36 V 8.37 4.96 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 0.87 0.00 0.00 0.93 0.00 0.00 37 L 9.02 4.58 0.00 1.71 1.70 0.91 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 38 E 8.76 4.14 0.00 1.87 1.93 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 2.31 2.32 0.00 39 D 8.15 4.73 0.00 3.02 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 40 T 7.80 4.55 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 1.26 0.00 0.00 41 P 0.00 4.20 0.00 2.17 2.14 0.00 3.59 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.15 0.00 42 A 7.93 4.09 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.85 3.70 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 1.52 1.35 0.96 0.00 0.00 44 R 7.97 4.01 0.00 2.01 1.99 0.00 3.16 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.77 0.00 45 G 7.68 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 46 N 7.76 4.45 0.00 3.02 2.85 0.00 0.00 6.67 7.56 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 47 V 7.61 3.58 2.15 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 0.97 0.00 0.00 0.96 0.00 0.00 48 E 8.74 3.91 0.00 2.32 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 0.00 2.30 2.39 0.00 49 K 7.73 3.92 0.00 1.75 1.86 0.00 1.75 0.00 0.00 1.70 0.00 0.00 3.10 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.74 7.81 50 V 7.01 3.68 1.94 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 0.72 0.00 0.00 0.91 0.00 0.00 51 A 7.80 3.92 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 52 H 7.94 4.39 0.00 3.19 3.37 0.00 5.67 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 L 8.16 4.80 0.00 1.50 1.67 0.28 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 54 V 7.98 4.93 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 0.59 0.00 0.00 0.97 0.00 0.00 55 R 8.65 4.58 0.00 1.73 1.81 0.00 3.25 0.00 0.00 3.08 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.68 0.00 56 V 8.35 4.62 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 0.86 0.00 0.00 0.91 0.00 0.00 57 E 9.08 4.59 0.00 1.87 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 2.26 2.38 0.00 58 V 8.05 4.44 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 0.77 0.00 0.00 0.93 0.00 0.00 59 V 8.82 4.09 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 0.83 0.00 0.00 0.93 0.00 0.00