NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2662 8.3049 118.1756 54.9488 32.5476 174.5904 2 I 4.2251 7.4114 121.1805 59.0487 41.0761 173.8700 3 F 4.9818 8.9063 122.2834 54.6533 43.8872 172.1205 4 P 4.4746 0.0000 0.0000 64.9904 31.0532 176.6930 5 G 4.0297 9.0435 111.3268 44.9596 0.0000 172.7742 6 A 4.7505 8.0696 122.3172 50.5201 21.5023 176.6233 7 T 4.6992 8.3476 118.0762 63.3361 70.0997 174.3571 8 V 4.9562 8.9499 118.9239 59.5190 36.5300 174.3386 9 R 5.0205 8.8843 123.3842 54.4644 33.1571 174.9076 10 V 4.2301 8.5810 126.7774 62.6184 32.3270 175.8258 11 T 4.6527 8.2677 118.0138 61.4837 69.7766 173.9046 12 N 4.6826 8.0986 121.8556 52.7849 39.1044 175.9142 13 V 2.6571 8.3241 126.5115 65.2340 31.8014 175.6236 14 D 4.7133 8.0939 118.0957 53.9423 40.9646 174.9158 15 D 5.1430 7.4266 115.8587 51.8614 43.8011 176.2962 16 T 4.0016 8.4738 119.2511 66.3462 68.8014 175.0625 17 Y 4.7896 8.8821 118.6120 57.7767 38.1664 174.5849 18 Y 4.5183 8.1253 121.3232 59.1925 39.1579 176.4356 19 R 3.6521 8.4169 126.8733 56.3251 31.0150 176.2388 20 F 4.5917 7.7639 115.8775 57.5995 40.3769 174.1046 21 E 5.2742 9.1741 119.8935 54.9352 32.2902 175.4715 22 G 3.8341 9.3220 109.7713 44.6638 0.0000 170.3056 23 L 5.0716 8.2611 121.4540 52.6153 44.7948 175.7572 24 V 4.0037 8.4871 126.9764 63.7864 31.7402 176.2990 25 Q 4.4449 9.3008 128.5357 58.1024 29.8015 176.4149 26 R 4.4623 7.4331 111.7729 55.5021 32.3739 174.2174 27 V 4.3189 8.4749 120.8730 62.1868 32.3181 175.7570 28 S 4.5039 8.8500 124.1087 57.3480 63.4873 173.7203 29 D 4.4512 9.8144 127.7277 55.1551 38.1822 175.4342 30 G 3.9310 8.6695 107.2978 45.0578 0.0000 174.1164 31 K 4.4150 7.9898 119.3665 54.8377 34.3633 174.5574 32 A 5.1237 9.1114 120.7762 50.2613 21.9785 175.4247 33 A 4.5209 9.1862 125.8914 51.2932 19.6858 176.3172 34 V 4.2083 8.5922 123.4911 62.3153 33.2785 174.4490 35 L 4.5871 8.4958 130.8797 53.5870 43.8637 174.8234 36 F 5.0473 8.0033 123.6511 55.8647 41.3123 174.5305 37 E 4.9741 8.7510 122.9153 54.3895 32.5823 174.1627 38 N 5.0703 9.4919 124.1846 53.4763 39.8894 174.7157 39 G 4.0764 9.2964 103.8629 43.9929 0.0000 174.4439 40 N 4.8517 7.7693 128.4068 54.3980 39.4608 174.7780 41 W 4.4984 7.5767 128.4323 57.1279 31.5654 174.0571 42 D 4.7690 7.1409 122.6112 52.8353 42.2737 174.9064 43 K 3.9426 7.5704 117.4418 55.5634 34.6424 173.7296 44 L 4.2174 8.4657 131.2786 54.7631 42.8060 176.0259 45 V 4.2829 8.8804 126.7057 61.2590 34.5240 174.3302 46 T 4.5841 8.2897 124.7873 63.2184 69.4943 173.8826 47 F 5.0860 9.2117 124.3600 55.5885 43.7384 174.6730 48 R 4.6623 8.5958 118.0283 55.3863 31.2614 178.0831 49 L 4.0962 8.3705 119.4461 57.7903 41.8381 179.9783 50 S 4.2336 8.0227 112.0745 60.6607 63.4219 174.7277 51 E 4.3250 8.1251 119.7435 56.9232 29.7703 175.4953 52 L 5.4220 7.4280 117.9712 52.6343 45.3796 175.6681 53 E 4.8249 8.8058 117.9154 54.3384 33.1485 174.7050 54 A 4.5955 8.5592 123.6464 52.0072 19.3625 177.5740 55 V 4.1168 8.5012 123.3216 61.4555 33.6985 175.1367 56 K 4.3809 8.3308 122.1945 54.5468 33.0021 176.2081 57 P 4.6130 0.0000 0.0000 61.9790 33.1789 175.8915 58 I 3.9209 8.0550 118.1742 61.9614 37.5061 176.7683 59 L 4.3858 8.0360 123.9759 53.7144 40.0940 176.5942 60 E 4.1364 8.0477 121.3133 56.0876 30.4843 176.7922 61 H 4.5497 8.4830 121.6957 54.8869 29.1233 174.1015 62 H 4.6957 8.1659 122.2144 55.1258 29.7252 174.7578 63 H 4.7883 7.9529 114.6703 55.2024 30.7756 172.4436 64 H 5.1264 8.5309 118.0973 54.7646 32.8513 172.0717 65 H 4.9874 8.4401 114.8199 54.6106 31.1988 173.2295 66 H 4.4850 8.4834 115.2380 55.8105 28.4851 173.6078 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 4.27 0.00 2.07 1.73 0.00 0.00 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.59 0.00 2 I 7.41 4.23 1.70 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.65 0.84 0.00 0.00 3 F 8.91 4.98 0.00 3.03 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 4 P 0.00 4.47 0.00 2.07 2.14 0.00 3.83 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.13 0.00 5 G 9.04 4.03 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 0.00 0.00 0.00 6 A 8.07 4.75 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 7 T 8.35 4.70 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 1.21 0.00 0.00 8 V 8.95 4.96 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 0.73 0.00 0.00 0.90 0.00 0.00 9 R 8.88 5.02 0.00 1.80 1.70 0.00 3.01 0.00 0.00 2.94 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.73 0.00 10 V 8.58 4.23 2.34 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 0.80 0.00 0.00 0.84 0.00 0.00 11 T 8.27 4.65 4.31 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 1.28 0.00 0.00 12 N 8.10 4.68 0.00 2.78 2.79 0.00 0.00 7.12 7.77 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 13 V 8.32 2.66 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 0.44 0.00 0.00 0.67 0.00 0.00 14 D 8.09 4.71 0.00 2.64 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 15 D 7.43 5.14 0.00 2.70 2.73 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 16 T 8.47 4.00 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 0.85 0.00 0.00 17 Y 8.88 4.79 0.00 3.13 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.13 4.52 0.00 3.09 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 R 8.42 3.65 0.00 0.98 1.51 0.00 3.06 0.00 0.00 2.89 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.19 0.00 20 F 7.76 4.59 0.00 3.43 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 21 E 9.17 5.27 0.00 1.93 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 2.22 2.32 0.00 22 G 9.32 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 0.00 0.00 0.00 23 L 8.26 5.07 0.00 1.65 1.40 0.96 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 24 V 8.49 4.00 2.21 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 0.67 0.00 0.00 0.94 0.00 0.00 25 Q 9.30 4.44 0.00 1.96 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.46 0.00 0.00 0.00 0.00 0.00 2.42 2.36 0.00 26 R 7.43 4.46 0.00 1.81 1.95 0.00 2.92 0.00 0.00 3.24 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.51 0.00 27 V 8.47 4.32 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 0.84 0.00 0.00 0.96 0.00 0.00 28 S 8.85 4.50 0.00 3.81 3.74 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 0.00 0.00 0.00 0.00 29 D 9.81 4.45 0.00 2.79 2.73 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 30 G 8.67 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 31 K 7.99 4.41 0.00 1.99 2.00 0.00 1.60 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.37 7.81 32 A 9.11 5.12 1.20 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 0.00 0.00 33 A 9.19 4.52 1.24 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 0.00 0.00 34 V 8.59 4.21 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.20 0.00 0.00 1.12 0.00 0.00 35 L 8.50 4.59 0.00 1.61 1.43 0.78 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 36 F 8.00 5.05 0.00 2.65 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 37 E 8.75 4.97 0.00 1.88 1.78 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 2.14 2.22 0.00 38 N 9.49 5.07 0.00 3.23 3.10 0.00 0.00 7.60 7.60 0.00 0.00 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 G 9.30 4.08 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 N 7.77 4.85 0.00 2.80 2.95 0.00 0.00 7.11 7.99 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 41 W 7.58 4.50 0.00 3.42 3.10 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 0.00 0.00 0.00 0.00 42 D 7.14 4.77 0.00 2.55 2.38 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.57 3.94 0.00 1.53 1.49 0.00 1.87 0.00 0.00 2.02 0.00 0.00 2.88 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.38 1.37 7.81 44 L 8.47 4.22 0.00 1.60 1.49 0.85 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 45 V 8.88 4.28 2.12 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 0.51 0.00 0.00 1.12 0.00 0.00 46 T 8.29 4.58 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 1.20 0.00 0.00 47 F 9.21 5.09 0.00 2.92 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 48 R 8.60 4.66 0.00 2.02 1.89 0.00 3.46 0.00 0.00 3.38 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.74 0.00 49 L 8.37 4.10 0.00 1.67 1.69 0.86 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 50 S 8.02 4.23 0.00 3.99 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 51 E 8.13 4.33 0.00 2.25 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 2.45 2.60 0.00 52 L 7.43 5.42 0.00 1.46 1.50 0.97 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 53 E 8.81 4.82 0.00 1.98 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 2.27 2.20 0.00 54 A 8.56 4.60 1.22 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 0.00 0.00 0.00 55 V 8.50 4.12 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 0.95 0.00 0.00 0.95 0.00 0.00 56 K 8.33 4.38 0.00 1.76 1.72 0.00 1.69 0.00 0.00 1.75 0.00 0.00 3.16 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.41 1.48 7.81 57 P 0.00 4.61 0.00 2.19 2.11 0.00 3.78 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 58 I 8.05 3.92 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 1.42 0.42 0.92 0.00 0.00 59 L 8.04 4.39 0.00 1.64 1.64 0.93 0.98 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 60 E 8.05 4.14 0.00 1.99 1.91 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 2.33 2.31 0.00 61 H 8.48 4.55 0.00 3.07 3.25 0.00 5.92 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 H 8.17 4.70 0.00 3.24 3.25 0.00 5.62 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 H 7.95 4.79 0.00 3.23 3.27 0.00 5.67 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 H 8.53 5.13 0.00 3.13 3.18 0.00 5.71 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 H 8.44 4.99 0.00 3.17 3.24 0.00 5.66 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 H 8.48 4.48 0.00 3.22 3.25 0.00 5.56 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00