NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3808 8.3049 120.3427 55.2610 33.5417 175.4138 2 N 4.3811 7.8063 115.1363 49.8412 40.0651 173.1603 3 P 4.3664 0.0000 0.0000 63.0790 33.2220 174.7961 4 N 4.9724 8.5803 122.5890 52.0811 40.1287 174.7945 5 C 3.9796 8.9399 123.0695 59.9842 32.2673 174.4075 6 A 3.8581 7.6542 127.9082 53.2814 17.9044 176.8359 7 R 4.5110 7.3412 112.4506 57.9216 32.1554 176.5926 8 C 4.2321 8.3434 110.8635 62.3123 30.1627 173.4317 9 G 3.4185 7.8568 107.4550 44.1863 0.0000 173.4717 10 K 4.4971 7.8166 120.5847 54.6251 34.4520 175.7546 11 I 3.7879 8.2375 122.0115 62.1544 38.4081 175.6135 12 V 4.1826 8.1894 129.5428 61.2009 31.5622 175.1547 13 Y 4.1473 8.4034 125.8641 56.9013 38.4253 175.9742 14 P 4.2668 0.0000 0.0000 65.2580 31.5302 177.5829 15 T 4.0262 7.9964 113.2738 64.5904 67.3911 173.4294 16 E 4.8447 8.1869 121.6958 55.6742 30.3083 176.9536 17 K 4.4338 8.1294 117.4563 55.6000 29.6894 176.3506 18 V 3.8333 8.0730 121.1993 63.0279 32.3571 176.1117 19 N 4.8447 8.6544 124.7768 52.3451 37.6267 174.5914 20 C 4.6957 8.0592 122.6371 58.7050 30.4715 173.2458 21 L 3.9169 7.9262 118.7297 58.3937 41.3540 178.3018 22 D 4.6196 7.7371 112.8359 53.5690 42.3035 174.1377 23 K 4.0274 7.7023 118.5884 56.0105 36.5501 174.1213 24 F 5.5032 8.2159 117.1672 56.2263 41.8053 175.3769 25 W 5.3352 8.7809 120.9531 55.8826 33.3339 173.1794 26 H 5.0995 8.8666 115.9591 53.8869 31.0653 173.6967 27 K 3.7312 8.6156 119.6644 60.9073 32.0986 177.8478 28 A 4.2996 7.9028 121.9591 54.0004 18.7554 177.6807 29 C 4.5382 8.0948 112.4614 59.8507 29.0290 173.6809 30 F 3.9258 7.8387 125.9410 58.4022 38.7813 174.7656 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 4.38 0.00 1.97 2.09 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.55 0.00 2 N 7.81 4.38 0.00 2.70 2.53 0.00 0.00 7.13 7.08 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 3 P 0.00 4.37 0.00 2.16 2.29 0.00 3.51 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.71 0.00 4 N 8.58 4.97 0.00 2.53 2.82 0.00 0.00 7.34 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 C 8.94 3.98 0.00 3.00 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 A 7.65 3.86 -0.35 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 7 R 7.34 4.51 0.00 2.26 2.21 0.00 3.47 0.00 0.00 3.37 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.69 0.00 8 C 8.34 4.23 0.00 3.17 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 9 G 7.86 3.42 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 0.00 10 K 7.82 4.50 0.00 1.80 1.76 0.00 1.70 0.00 0.00 1.77 0.00 0.00 2.98 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.49 1.45 7.81 11 I 8.24 3.79 1.64 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.34 0.37 0.64 0.00 0.00 12 V 8.19 4.18 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.73 0.00 0.00 13 Y 8.40 4.15 0.00 3.10 2.86 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.27 0.00 2.17 2.14 0.00 3.99 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.99 0.00 15 T 8.00 4.03 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 16 E 8.19 4.84 0.00 2.00 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 2.40 2.38 0.00 17 K 8.13 4.43 0.00 1.87 1.96 0.00 1.69 0.00 0.00 1.61 0.00 0.00 2.74 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.04 1.49 7.81 18 V 8.07 3.83 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 1.22 0.00 0.00 19 N 8.65 4.84 0.00 2.80 2.84 0.00 0.00 7.04 7.77 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 20 C 8.06 4.70 0.00 3.13 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.93 3.92 0.00 1.66 1.72 0.81 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 22 D 7.74 4.62 0.00 2.69 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.70 4.03 0.00 1.52 1.75 0.00 1.23 0.00 0.00 1.52 0.00 0.00 2.75 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.49 1.20 7.81 24 F 8.22 5.50 0.00 2.88 2.84 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 0.00 0.00 0.00 25 W 8.78 5.34 0.00 3.16 3.20 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 0.00 0.00 0.00 0.00 26 H 8.87 5.10 0.00 3.33 3.49 0.00 5.85 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 K 8.62 3.73 0.00 1.93 1.85 0.00 1.66 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.47 7.81 28 A 7.90 4.30 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 29 C 8.09 4.54 0.00 3.49 3.26 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 0.00 30 F 7.84 3.93 0.00 2.99 2.96 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