NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.1225 8.3144 120.1341 57.3835 33.5326 174.7901 2 S 3.3860 8.7435 108.3304 60.3154 59.6856 169.3156 3 E 3.5799 8.2648 121.3589 58.0788 30.5810 176.4177 4 E 3.8640 8.7472 119.0546 59.4254 29.4589 178.2898 5 E 3.8760 8.2091 118.3734 59.4347 29.6746 178.4456 6 L 3.9434 7.9265 119.3117 58.0294 42.2213 178.3099 7 A 4.0926 8.4494 121.1332 55.4832 18.2505 179.4135 8 N 4.2489 8.2311 114.4761 56.3986 38.6840 177.4059 9 A 3.6767 8.1500 122.2558 55.0164 18.4668 179.1598 10 F 4.5285 8.8279 119.4340 61.9979 39.1958 177.6571 11 R 3.8683 7.9087 115.9099 59.2698 29.9014 178.8258 12 I 3.7192 7.5089 118.7334 64.3222 37.0914 178.2050 13 F 4.6797 7.5396 117.5682 60.0049 40.1638 177.0169 14 D 4.7043 8.5508 119.1432 52.9334 37.7439 176.8933 15 K 3.8015 7.7888 123.1206 59.9802 32.7173 178.5614 16 N 4.6021 8.3632 112.1422 52.2042 37.1302 174.3100 17 A 3.6998 7.8246 119.3343 53.6679 16.6494 178.2041 18 D 4.4203 8.1169 116.0618 54.3048 39.8339 176.8551 19 G 3.6428 7.7136 107.1507 46.5215 0.0000 172.8027 20 Y 5.1958 7.9808 115.6778 56.3697 42.2558 174.3171 21 I 4.7210 8.4580 121.0926 59.6364 39.8483 175.5325 22 D 4.9870 8.9789 124.0422 50.9552 43.1849 176.9213 23 I 3.6083 8.2757 118.3540 64.6011 37.5693 177.2181 24 E 4.0021 8.1058 117.5805 59.2909 29.7056 178.5975 25 E 3.9538 8.1326 119.0872 59.1153 29.5874 178.8857 26 L 3.9335 8.6487 120.7657 57.8717 42.1578 178.8379 27 G 3.8241 8.3083 106.1903 48.3612 0.0000 175.4073 28 E 4.0381 8.2634 120.3014 58.8343 29.4398 179.4467 29 I 3.3700 7.2106 119.3130 64.0621 37.1737 178.0390 30 L 4.5710 8.4028 119.9525 55.8408 41.1523 179.0756 31 R 3.7997 7.8114 117.3519 60.2241 30.1239 177.9225 32 A 4.1535 7.8759 120.9867 54.6630 19.5141 177.6508 33 T 4.2162 7.8311 108.3883 61.9562 69.1795 175.3468 34 G 4.3091 8.0221 114.8340 47.2016 0.0000 173.2918 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 K 8.31 4.12 0.00 1.76 1.76 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.41 1.44 7.81 2 S 8.74 3.39 0.00 4.10 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 3 E 8.26 3.58 0.00 2.23 2.00 0.00 0.00 0.00 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 2.30 0.00 4 E 8.75 3.86 0.00 2.10 1.96 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 2.31 2.34 0.00 5 E 8.21 3.88 0.00 2.12 1.95 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 2.39 2.45 0.00 6 L 7.93 3.94 0.00 1.79 1.71 0.95 0.94 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 7 A 8.45 4.09 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 8 N 8.23 4.25 0.00 2.95 2.84 0.00 0.00 7.26 7.25 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 9 A 8.15 3.68 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 10 F 8.83 4.53 0.00 3.20 3.36 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 11 R 7.91 3.87 0.00 2.08 1.93 0.00 3.35 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.83 0.00 12 I 7.51 3.72 1.44 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.44 0.66 0.00 0.00 13 F 7.54 4.68 0.00 3.26 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 14 D 8.55 4.70 0.00 2.38 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.79 3.80 0.00 1.90 1.89 0.00 1.78 0.00 0.00 1.78 0.00 0.00 3.13 0.00 0.00 3.44 0.00 0.00 0.00 0.00 1.50 1.64 7.81 16 N 8.36 4.60 0.00 2.83 2.90 0.00 0.00 6.08 7.63 0.00 0.00 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 A 7.82 3.70 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 18 D 8.12 4.42 0.00 2.88 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 19 G 7.71 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 20 Y 7.98 5.20 0.00 3.16 2.69 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 0.00 0.00 0.00 0.00 21 I 8.46 4.72 2.05 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.53 0.96 0.00 0.00 22 D 8.98 4.99 0.00 2.89 2.78 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 0.00 0.00 0.00 23 I 8.28 3.61 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 1.68 1.42 0.90 0.00 0.00 24 E 8.11 4.00 0.00 2.20 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.34 0.00 25 E 8.13 3.95 0.00 2.36 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 0.00 2.50 2.45 0.00 26 L 8.65 3.93 0.00 1.68 1.78 0.90 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 27 G 8.31 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 28 E 8.26 4.04 0.00 2.07 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 0.00 2.37 2.48 0.00 29 I 7.21 3.37 1.67 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.25 0.57 0.00 0.00 30 L 8.40 4.57 0.00 1.78 1.67 0.87 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 31 R 7.81 3.80 0.00 1.89 1.98 0.00 3.34 0.00 0.00 3.24 7.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.96 0.00 32 A 7.88 4.15 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 33 T 7.83 4.22 4.23 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 0.00 0.00 0.00 1.21 0.00 0.00 34 G 8.02 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 0.00 0.00 0.00 0.00