NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 R 4.2629 8.1133 117.2706 56.3664 29.8311 176.7539 11 T 3.7627 8.3222 112.0627 64.3582 68.3366 174.3556 12 G 3.7697 7.5462 108.0418 47.2098 0.0000 175.3740 13 R 4.0931 7.6562 116.6741 58.3640 29.9638 177.6449 14 F 5.0849 8.2065 118.0087 58.0590 39.3905 176.5262 15 G 3.8218 8.0841 108.4310 46.6380 0.0000 172.5723 16 P 4.7331 0.0000 0.0000 62.7000 31.8607 175.9979 17 R 4.1049 7.4915 117.6800 56.6639 31.5870 177.0962 18 Y 3.8504 8.0896 117.0330 57.3864 36.7388 170.8762 19 G 4.0098 7.6903 104.2196 44.9733 0.0000 173.0910 20 L 4.0126 7.8831 117.3266 57.4433 41.3326 179.6556 21 K 3.8521 8.0004 117.2794 60.0410 32.1986 178.9112 22 I 3.6841 7.8732 119.2694 64.6820 37.1170 178.3557 23 R 4.3626 7.8182 117.2788 57.9123 29.5636 178.8002 24 V 3.6468 8.2018 119.9561 66.0301 31.4183 178.1233 25 R 3.9594 8.1687 117.8018 58.8200 29.8086 179.1277 26 V 3.5485 7.5859 118.2755 65.5904 31.5297 178.0640 27 A 3.9379 8.0965 120.6342 55.1908 18.4269 179.0444 28 D 4.2782 8.2058 117.5646 57.7135 40.8846 179.2851 29 V 3.5759 7.9652 118.5412 66.3207 31.5068 177.9866 30 E 4.1119 8.4659 118.0849 58.7897 29.0215 179.2620 31 I 3.6947 8.1175 118.8118 63.9932 38.4658 177.5335 32 K 4.0956 7.9082 118.9410 59.8844 31.7154 178.3575 33 H 4.9590 8.2018 118.5877 58.6221 29.8239 176.3345 34 K 4.4829 7.8910 116.1393 55.3302 32.4429 177.0290 35 K 4.1709 7.2768 119.3734 55.8896 32.6473 176.7650 36 K 4.1671 8.2463 120.2622 56.7108 32.9124 176.4109 37 H 5.0073 8.4934 119.4739 53.7732 32.3809 173.0202 38 K 4.6010 8.6136 122.1393 55.6897 32.5676 176.4771 39 C 4.1864 9.1453 127.1680 59.3517 31.4667 172.1540 40 P 4.3445 0.0000 0.0000 65.5936 30.6331 177.4880 41 V 3.4112 6.8628 117.6132 65.0584 32.1489 179.2376 42 C 4.5287 7.5959 120.2382 57.6384 31.9638 173.8697 43 G 4.1469 8.6012 108.5886 45.5248 0.0000 173.0137 44 F 3.9902 8.1679 119.2204 56.6146 40.0905 175.7299 45 K 4.5000 7.8646 122.8634 55.4835 29.9408 176.9684 46 K 4.8096 7.6824 115.2923 56.1310 33.9814 177.4672 47 L 5.1979 8.0752 120.1275 53.5291 43.0685 177.0219 48 K 4.9894 9.2881 123.1473 54.2371 36.4405 175.8005 49 R 3.4172 8.7372 123.1917 56.0867 30.3534 176.2323 50 A 4.2748 8.8436 129.0510 51.9258 20.1835 176.6597 51 G 3.6639 6.8083 101.7912 45.8523 0.0000 171.2254 52 T 3.7305 8.2768 116.9810 64.9582 68.2611 174.8316 53 G 4.3875 8.6033 114.6207 46.3410 0.0000 171.4737 54 I 4.8426 7.1250 121.3906 59.1548 39.4555 174.8493 55 W 5.0718 9.1270 126.7035 55.3027 33.0830 174.2539 56 M 5.3312 9.0399 120.6307 54.6350 36.0904 173.0551 57 C 5.0764 9.3602 126.3398 58.2736 32.4163 174.6649 58 G 3.9254 9.1281 116.2971 47.8903 0.0000 173.9877 59 H 4.3836 8.1915 119.8331 58.4797 30.1884 175.5672 60 C 4.2974 8.0982 112.1788 57.8174 30.4944 174.6263 61 G 3.9613 8.7064 109.4828 44.8158 0.0000 173.1018 62 Y 4.3191 7.9542 121.0821 58.4632 39.7340 174.8124 63 K 4.9637 8.3974 127.6692 54.7371 33.9214 174.8782 64 I 4.3807 8.7799 121.2525 58.9509 40.9498 174.1579 65 A 4.9012 8.4605 125.0035 51.1614 19.9964 176.8758 66 G 4.1040 8.3166 109.8050 44.7832 0.0000 171.7178 67 G 4.0899 8.3306 109.8211 45.3251 0.0000 174.0407 68 C 3.9867 8.5157 115.8232 61.9828 28.3920 174.4274 69 Y 5.0811 7.8129 113.4216 57.5697 39.2786 174.7365 70 Q 4.6581 8.0382 118.8354 53.3896 33.0091 174.1403 71 P 2.9700 0.0000 0.0000 64.1791 31.6067 176.1062 72 E 4.6157 7.5791 117.1137 54.2867 32.7009 175.0174 73 T 4.6399 8.0175 112.1704 59.4517 71.3580 175.2565 74 V 3.5714 8.5221 121.8868 66.4428 31.2696 177.9017 75 A 4.2878 8.0134 119.9988 54.7579 18.4081 179.5945 76 G 3.5787 8.1729 104.2795 47.8035 0.0000 176.1457 77 K 4.1048 8.0039 120.1314 59.2336 31.7068 179.2491 78 A 4.0929 7.7066 120.9882 54.8775 17.9670 179.8608 79 V 3.5361 7.2141 114.8026 66.4604 31.7161 176.9564 80 M 4.1064 7.2722 115.9164 58.4433 31.8116 177.8414 81 K 3.8300 7.7961 115.7989 57.3735 32.3195 176.8040 82 A 4.1693 6.7695 129.2201 53.0109 18.1243 177.8996 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 10 R 8.11 4.26 0.00 1.98 2.01 0.00 2.93 0.00 0.00 3.33 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.72 0.00 11 T 8.32 3.76 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 1.31 0.00 0.00 12 G 7.55 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 0.00 0.00 0.00 13 R 7.66 4.09 0.00 1.91 1.95 0.00 2.86 0.00 0.00 3.07 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.12 0.00 14 F 8.21 5.08 0.00 3.41 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 15 G 8.08 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 16 P 0.00 4.73 0.00 2.14 2.11 0.00 3.72 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.94 0.00 17 R 7.49 4.10 0.00 0.92 0.66 0.00 2.82 0.00 0.00 3.01 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.42 0.00 18 Y 8.09 3.85 0.00 3.04 2.98 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 19 G 7.69 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 0.00 0.00 0.00 20 L 7.88 4.01 0.00 1.71 1.66 0.93 0.87 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 21 K 8.00 3.85 0.00 1.80 1.89 0.00 1.69 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.55 1.57 7.81 22 I 7.87 3.68 2.05 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 1.64 0.66 0.81 0.00 0.00 23 R 7.82 4.36 0.00 2.28 2.55 0.00 3.24 0.00 0.00 3.53 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.59 0.00 24 V 8.20 3.65 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 1.11 0.00 0.00 0.99 0.00 0.00 25 R 8.17 3.96 0.00 2.10 1.93 0.00 3.16 0.00 0.00 3.08 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.80 0.00 26 V 7.59 3.55 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 1.16 0.00 0.00 1.12 0.00 0.00 27 A 8.10 3.94 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.21 4.28 0.00 2.90 2.74 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 V 7.97 3.58 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 0.70 0.00 0.00 0.84 0.00 0.00 30 E 8.47 4.11 0.00 2.11 2.03 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 2.34 2.48 0.00 31 I 8.12 3.69 1.96 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 1.54 0.76 1.01 0.00 0.00 32 K 7.91 4.10 0.00 2.09 1.96 0.00 1.78 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.50 7.81 33 H 8.20 4.96 0.00 3.44 3.63 0.00 5.78 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 K 7.89 4.48 0.00 1.81 1.85 0.00 1.85 0.00 0.00 1.72 0.00 0.00 3.09 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.64 7.81 35 K 7.28 4.17 0.00 1.83 1.65 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.47 1.68 7.81 36 K 8.25 4.17 0.00 1.70 1.71 0.00 1.66 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.44 1.43 7.81 37 H 8.49 5.01 0.00 3.15 3.03 0.00 5.61 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 K 8.61 4.60 0.00 1.63 1.76 0.00 1.73 0.00 0.00 1.59 0.00 0.00 2.78 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.39 1.41 7.81 39 C 9.15 4.19 0.00 3.06 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 40 P 0.00 4.34 0.00 2.26 2.16 0.00 4.00 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 2.17 2.11 0.00 41 V 6.86 3.41 1.69 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 0.63 0.00 0.00 -0.39 0.00 0.00 42 C 7.60 4.53 0.00 3.19 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.60 4.15 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 F 8.17 3.99 0.00 2.99 3.01 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 45 K 7.86 4.50 0.00 1.56 1.75 0.00 1.58 0.00 0.00 1.64 0.00 0.00 2.82 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.36 1.31 7.81 46 K 7.68 4.81 0.00 1.82 1.86 0.00 1.90 0.00 0.00 1.91 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.57 1.73 7.81 47 L 8.08 5.20 0.00 1.76 1.78 0.99 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 48 K 9.29 4.99 0.00 1.71 1.71 0.00 1.70 0.00 0.00 1.62 0.00 0.00 2.82 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.43 7.81 49 R 8.74 3.42 0.00 1.09 1.44 0.00 2.99 0.00 0.00 2.93 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.50 0.00 50 A 8.84 4.27 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 6.81 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.28 3.73 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 1.07 0.00 0.00 53 G 8.60 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 I 7.12 4.84 1.66 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.00 0.81 0.00 0.00 55 W 9.13 5.07 0.00 3.22 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 56 M 9.04 5.33 0.00 2.09 1.84 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.58 0.00 57 C 9.36 5.08 0.00 3.19 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 58 G 9.13 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 59 H 8.19 4.38 0.00 3.07 3.34 0.00 5.91 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 C 8.10 4.30 0.00 3.10 2.97 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 61 G 8.71 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 62 Y 7.95 4.32 0.00 3.02 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 63 K 8.40 4.96 0.00 1.70 1.55 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.23 1.34 7.81 64 I 8.78 4.38 1.88 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 1.11 0.86 0.00 0.00 65 A 8.46 4.90 1.25 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 0.00 0.00 0.00 66 G 8.32 4.10 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 0.00 0.00 0.00 67 G 8.33 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 C 8.52 3.99 0.00 2.28 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 Y 7.81 5.08 0.00 3.13 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 70 Q 8.04 4.66 0.00 2.11 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.90 0.00 0.00 0.00 0.00 0.00 2.43 2.49 0.00 71 P 0.00 2.97 0.00 1.63 0.89 0.00 2.94 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.22 0.00 72 E 7.58 4.62 0.00 1.82 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 2.10 2.10 0.00 73 T 8.02 4.64 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 1.22 0.00 0.00 74 V 8.52 3.57 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 0.87 0.00 0.00 0.94 0.00 0.00 75 A 8.01 4.29 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 76 G 8.17 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 K 8.00 4.10 0.00 1.98 1.86 0.00 1.66 0.00 0.00 1.63 0.00 0.00 3.09 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.57 1.60 7.81 78 A 7.71 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 79 V 7.21 3.54 2.25 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 0.87 0.00 0.00 0.95 0.00 0.00 80 M 7.27 4.11 0.00 2.15 2.26 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.55 0.00 81 K 7.80 3.83 0.00 1.87 1.67 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.60 7.81 82 A 6.77 4.17 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