NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4569 8.1476 120.3487 55.1839 34.4273 177.3533 2 K 4.0940 7.9039 119.9860 58.5112 32.4989 173.9775 3 V 3.5273 7.8934 119.3251 65.7184 32.0472 178.8525 4 K 3.9209 8.0192 118.8936 59.7109 32.1241 178.5791 5 Q 4.0094 8.4748 118.6263 58.9644 28.6290 178.7331 6 L 4.1141 8.1619 120.1672 57.7677 41.6674 179.2679 7 E 3.9731 8.6541 118.9848 59.7014 29.4234 179.2811 8 D 4.3733 8.2992 118.5877 57.1605 40.7656 178.6684 9 A 4.0113 8.1370 121.5155 55.0213 18.3660 179.7961 10 V 3.5224 7.9668 116.8233 66.2302 31.5924 178.0683 11 E 3.9972 8.2426 118.2414 59.5889 29.2871 179.2958 12 E 4.0232 8.3318 118.5387 59.3098 29.4204 179.4220 13 L 4.0657 8.2760 119.4081 57.6811 41.6512 179.3827 14 L 4.0046 8.4254 119.3898 58.0398 41.5784 179.8800 15 S 4.1501 8.1766 114.7793 61.4420 62.7977 176.4590 16 A 4.1045 8.5131 123.9407 55.4546 18.1337 179.5165 17 N 4.3477 8.5087 115.0988 56.3444 38.5738 176.8864 18 Y 4.2591 8.2246 121.0817 61.3391 38.8925 178.1897 19 H 3.9958 8.3567 116.8581 58.7515 28.7163 177.8584 20 L 3.9965 8.0594 120.8556 57.7370 41.3909 179.2310 21 E 3.9348 8.5883 118.9728 59.6053 29.3705 179.2707 22 N 4.1716 7.8645 116.1340 56.1401 38.5621 177.3966 23 A 3.9462 7.9752 122.2439 54.9893 18.4427 179.8126 24 V 3.4872 8.1723 116.9952 66.1362 31.6153 178.1129 25 A 4.0095 8.1067 120.5067 55.1733 18.2021 179.8355 26 R 3.8334 8.0880 116.5631 59.5262 30.1802 179.3641 27 L 4.0704 8.0051 118.6631 57.3712 41.5201 179.5213 28 K 3.9397 8.4837 119.1347 59.4975 32.0320 179.4724 29 K 3.9616 8.0371 118.6748 59.1551 31.7303 179.1412 30 L 3.9667 7.7761 119.6448 58.2314 42.1956 178.9928 31 V 4.0104 7.8179 109.4651 61.5310 31.8144 176.8647 32 G 3.8205 7.6453 106.0071 45.7862 0.0000 172.6506 33 E 4.4358 7.9977 120.1565 54.0280 30.8015 176.2141 34 R 4.1033 8.5749 123.4329 56.7280 30.0666 176.4598 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 8.15 4.46 0.00 2.11 2.13 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 2.56 2.60 0.00 2 K 7.90 4.09 0.00 2.10 2.05 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.49 1.41 7.81 3 V 7.89 3.53 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 0.99 0.00 0.00 0.93 0.00 0.00 4 K 8.02 3.92 0.00 1.86 1.95 0.00 1.77 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.51 1.54 7.81 5 Q 8.47 4.01 0.00 2.23 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.53 0.00 6 L 8.16 4.11 0.00 1.74 1.71 0.95 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 7 E 8.65 3.97 0.00 2.11 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 8 D 8.30 4.37 0.00 2.85 2.71 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 9 A 8.14 4.01 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 10 V 7.97 3.52 2.24 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 0.98 0.00 0.00 0.95 0.00 0.00 11 E 8.24 4.00 0.00 2.19 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 2.55 2.49 0.00 12 E 8.33 4.02 0.00 2.14 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 13 L 8.28 4.07 0.00 1.84 1.73 0.93 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 14 L 8.43 4.00 0.00 1.80 1.72 0.91 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 15 S 8.18 4.15 0.00 4.09 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 A 8.51 4.10 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 17 N 8.51 4.35 0.00 2.96 2.91 0.00 0.00 6.67 7.58 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 18 Y 8.22 4.26 0.00 3.08 3.15 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 19 H 8.36 4.00 0.00 3.26 3.31 0.00 5.67 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 L 8.06 4.00 0.00 1.84 1.71 0.93 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 21 E 8.59 3.93 0.00 2.04 1.93 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 2.32 2.52 0.00 22 N 7.86 4.17 0.00 2.75 2.70 0.00 0.00 6.93 7.23 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 23 A 7.98 3.95 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 24 V 8.17 3.49 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 0.99 0.00 0.00 0.91 0.00 0.00 25 A 8.11 4.01 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 26 R 8.09 3.83 0.00 2.06 1.97 0.00 3.27 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.79 0.00 27 L 8.01 4.07 0.00 1.69 1.70 0.91 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 28 K 8.48 3.94 0.00 1.97 2.05 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.61 1.61 7.81 29 K 8.04 3.96 0.00 1.99 1.84 0.00 1.66 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.54 7.81 30 L 7.78 3.97 0.00 1.71 1.86 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 31 V 7.82 4.01 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 0.81 0.00 0.00 1.00 0.00 0.00 32 G 7.65 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 33 E 8.00 4.44 0.00 1.92 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.26 0.00 34 R 8.57 4.10 0.00 1.83 1.83 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 1.63 1.57 0.00