NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3157 8.3049 120.3265 53.6219 34.3202 173.9677 2 K 3.5874 7.9428 119.6953 55.6913 28.7893 173.7427 3 L 4.0211 8.9315 125.5083 57.6964 42.5589 178.6610 4 K 4.0134 8.0233 117.9070 59.4942 32.0100 179.1641 5 Q 3.9745 8.1018 118.3726 58.8547 28.5361 178.9307 6 V 3.5541 7.7794 118.5536 65.9063 31.5697 177.6835 7 A 3.9697 8.3764 120.8682 55.3595 18.2229 179.2357 8 D 4.2876 8.2627 117.4400 57.3905 40.8417 179.0936 9 K 3.9250 8.0800 120.0008 59.5861 32.1752 178.9093 10 L 3.9855 8.1944 119.5351 57.6753 41.4960 179.1163 11 E 3.8892 8.4340 119.5342 59.1699 29.5302 178.4901 12 E 3.9342 8.1032 119.4028 59.2898 29.6776 179.0040 13 V 3.5673 8.0442 118.1397 65.8599 31.5343 177.6246 14 A 4.0216 8.2789 120.8579 55.5737 18.1720 179.8802 15 S 4.0729 8.1955 113.4214 61.5136 62.7912 177.0638 16 K 4.0570 8.3153 121.3205 59.5763 31.8661 179.3899 17 L 4.0013 8.4019 119.6648 57.7667 41.4838 178.8193 18 Y 4.1623 8.2831 119.6515 61.3027 38.7556 178.1706 19 H 4.1059 8.2821 116.9592 58.7904 28.7917 177.4920 20 N 4.3175 8.5322 118.4066 56.3677 38.3362 177.3234 21 A 3.9963 8.0977 122.0534 55.0654 18.4479 179.4628 22 N 4.1315 7.9405 115.0746 56.3045 38.5820 177.1255 23 E 3.8927 8.1381 120.6272 59.3323 29.6220 178.9335 24 L 3.9306 7.9702 118.6281 57.7156 41.7245 179.1796 25 A 3.9634 8.3137 121.1118 55.4304 18.1871 179.9810 26 R 3.8719 8.1125 116.4311 59.2933 30.1473 179.4876 27 V 3.5405 7.8501 117.9314 65.8524 31.3033 177.8472 28 A 4.0016 8.0219 119.7530 55.0509 18.4926 179.3651 29 K 4.0102 8.0895 116.8721 59.6915 32.1905 179.1919 30 L 3.9708 8.0856 120.6780 58.2242 41.7718 178.8324 31 L 4.2631 7.9389 117.4170 56.7545 41.5284 179.3406 32 G 3.7096 7.7821 105.9175 47.6584 0.0000 173.4342 33 E 4.1613 7.9021 124.3626 56.3222 29.4499 176.6801 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 4.32 0.00 2.00 2.19 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.63 0.00 2 K 7.94 3.59 0.00 2.18 1.82 0.00 1.57 0.00 0.00 1.82 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.58 7.81 3 L 8.93 4.02 0.00 1.68 1.73 0.92 0.93 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 4 K 8.02 4.01 0.00 1.79 1.85 0.00 1.67 0.00 0.00 1.81 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.53 7.81 5 Q 8.10 3.97 0.00 2.32 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.36 0.00 6 V 7.78 3.55 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 1.13 0.00 0.00 0.93 0.00 0.00 7 A 8.38 3.97 1.39 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 8 D 8.26 4.29 0.00 2.89 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 9 K 8.08 3.93 0.00 1.88 1.98 0.00 1.63 0.00 0.00 1.65 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.53 7.81 10 L 8.19 3.99 0.00 1.84 1.70 0.92 1.12 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 11 E 8.43 3.89 0.00 2.17 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 2.29 2.34 0.00 12 E 8.10 3.93 0.00 2.19 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 0.00 2.32 2.33 0.00 13 V 8.04 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 1.01 0.00 0.00 0.97 0.00 0.00 14 A 8.28 4.02 1.39 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 15 S 8.20 4.07 0.00 4.06 3.99 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 16 K 8.32 4.06 0.00 2.00 1.90 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.66 7.81 17 L 8.40 4.00 0.00 1.88 1.76 0.94 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 18 Y 8.28 4.16 0.00 2.95 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 19 H 8.28 4.11 0.00 3.40 3.30 0.00 5.68 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 N 8.53 4.32 0.00 2.94 2.87 0.00 0.00 6.90 8.20 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 21 A 8.10 4.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.94 4.13 0.00 2.72 2.72 0.00 0.00 6.64 7.82 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 23 E 8.14 3.89 0.00 2.11 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 2.29 2.34 0.00 24 L 7.97 3.93 0.00 1.95 1.68 0.91 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 25 A 8.31 3.96 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.11 3.87 0.00 2.00 1.97 0.00 3.11 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.77 0.00 27 V 7.85 3.54 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 1.00 0.00 0.00 28 A 8.02 4.00 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 29 K 8.09 4.01 0.00 2.01 1.86 0.00 1.67 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.44 7.81 30 L 8.09 3.97 0.00 1.95 1.76 0.91 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 31 L 7.94 4.26 0.00 1.83 1.71 0.92 0.69 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 32 G 7.78 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.90 4.16 0.00 2.16 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 2.34 2.29 0.00