NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.2788 8.1127 120.8599 56.6497 32.2063 177.3649 2 M 3.8742 7.9506 116.8966 57.4694 32.1595 176.2992 3 K 4.1802 8.7155 121.9773 59.0869 32.8625 178.0770 4 Q 3.9825 8.0276 117.7184 58.9641 28.6159 178.5205 5 L 3.9681 8.0116 121.2310 58.0423 41.8186 178.5788 6 E 3.9485 8.4648 118.9365 59.7739 29.4834 179.1758 7 D 4.3682 8.2264 118.6198 57.2470 40.7893 178.8208 8 K 3.9462 8.0651 120.1009 59.5402 32.1452 179.0613 9 V 3.5851 8.1219 118.8220 65.9792 31.4162 177.8854 10 E 3.9592 8.3896 118.4852 59.3789 29.2588 179.1685 11 E 4.0034 8.3092 118.6486 59.4650 29.4884 179.1290 12 N 4.3450 8.4527 116.7847 56.1869 38.5601 177.1167 13 L 3.9677 8.1597 121.8867 58.1428 42.0939 178.8650 14 S 4.1104 8.1993 112.9926 61.5501 62.2597 176.3964 15 K 4.0667 8.2798 121.0962 59.3993 31.6771 179.4759 16 V 3.5858 8.2863 119.0140 66.0937 31.4317 177.3815 17 Y 4.3646 8.1257 120.5636 60.5592 38.6717 177.8222 18 H 3.9648 8.3745 117.0769 58.9456 28.7707 177.4518 19 N 4.3092 8.4044 118.3843 56.3804 38.4247 177.0462 20 E 3.9257 8.3888 120.1646 59.7660 29.5749 179.3860 21 N 4.3495 7.8756 116.2097 56.2305 38.5045 177.4512 22 E 3.9466 8.2145 120.1071 59.2439 29.4871 179.4815 23 V 3.5403 8.2048 118.5898 65.9110 31.4296 177.9251 24 A 3.9725 8.0349 120.4819 55.2335 18.1915 179.8471 25 R 3.8525 7.9757 116.6026 59.3182 30.1566 179.0520 26 L 3.9630 8.1176 120.2473 57.9348 42.0297 178.9130 27 K 3.9584 8.2447 119.7895 59.3966 31.8725 179.0290 28 K 4.0081 7.6400 118.0477 59.4042 32.0732 179.1033 29 L 4.1359 7.7807 118.3603 56.9568 41.6222 178.9068 30 V 4.3650 7.6508 109.5576 60.2292 32.7819 176.3802 31 G 3.8292 7.3237 107.9740 44.2273 0.0000 173.2502 32 E 3.8279 8.6264 120.8271 57.3174 30.0106 177.0585 33 R 4.1092 8.7127 123.9575 56.8752 30.3882 175.8931 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 R 8.11 4.28 0.00 1.86 1.99 0.00 3.15 0.00 0.00 3.34 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 2 M 7.95 3.87 0.00 2.20 2.04 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 2.66 2.65 0.00 3 K 8.72 4.18 0.00 1.90 1.79 0.00 1.70 0.00 0.00 1.77 0.00 0.00 3.02 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.51 1.46 7.81 4 Q 8.03 3.98 0.00 2.29 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.68 0.00 0.00 0.00 0.00 0.00 2.45 2.42 0.00 5 L 8.01 3.97 0.00 1.86 1.80 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 6 E 8.46 3.95 0.00 2.20 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 2.33 2.53 0.00 7 D 8.23 4.37 0.00 2.88 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.07 3.95 0.00 1.84 1.94 0.00 1.64 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.45 7.81 9 V 8.12 3.59 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 1.05 0.00 0.00 0.97 0.00 0.00 10 E 8.39 3.96 0.00 2.25 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 2.32 2.48 0.00 11 E 8.31 4.00 0.00 2.15 2.01 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 2.53 2.50 0.00 12 N 8.45 4.35 0.00 2.89 2.88 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 13 L 8.16 3.97 0.00 1.85 1.85 0.94 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.20 4.11 0.00 3.95 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 15 K 8.28 4.07 0.00 2.02 1.88 0.00 1.75 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.51 1.71 7.81 16 V 8.29 3.59 2.26 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 1.12 0.00 0.00 0.99 0.00 0.00 17 Y 8.13 4.36 0.00 3.03 3.08 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 18 H 8.37 3.96 0.00 3.40 3.29 0.00 5.70 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 N 8.40 4.31 0.00 2.89 2.86 0.00 0.00 7.06 8.38 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 20 E 8.39 3.93 0.00 2.06 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 2.33 2.57 0.00 21 N 7.88 4.35 0.00 2.69 2.70 0.00 0.00 7.08 7.83 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 22 E 8.21 3.95 0.00 2.08 1.97 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 2.49 2.43 0.00 23 V 8.20 3.54 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 1.00 0.00 0.00 0.93 0.00 0.00 24 A 8.03 3.97 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 25 R 7.98 3.85 0.00 2.04 1.97 0.00 3.25 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 1.63 1.74 0.00 26 L 8.12 3.96 0.00 1.96 1.75 0.91 0.26 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 27 K 8.24 3.96 0.00 2.04 1.92 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.48 7.81 28 K 7.64 4.01 0.00 1.89 1.85 0.00 1.75 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.62 7.81 29 L 7.78 4.14 0.00 1.80 1.73 0.91 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 30 V 7.65 4.37 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 0.79 0.00 0.00 1.01 0.00 0.00 31 G 7.32 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 32 E 8.63 3.83 0.00 1.94 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 2.29 2.34 0.00 33 R 8.71 4.11 0.00 1.95 1.85 0.00 3.45 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.54 0.00