NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 F 4.8521 8.3244 122.8262 58.0382 40.5445 173.5664 2 V 3.7233 5.9318 124.5479 60.8628 32.2821 173.7140 3 N 4.9852 8.2911 124.1423 51.5095 42.4456 173.0611 4 Q 4.5350 8.2128 120.3335 55.2466 31.2158 173.3865 5 H 4.3454 9.4073 113.2963 55.8978 29.0069 175.1366 6 L 4.6153 8.3541 121.5421 53.2319 42.7302 175.1301 7 C 4.8814 7.9254 119.8941 58.4930 32.8734 175.2775 8 G 3.9152 8.6191 107.9467 45.5526 0.0000 173.6664 9 S 4.1332 8.4749 111.9599 61.4112 62.8597 175.8877 10 H 4.0716 8.3024 118.0312 58.9051 28.7572 177.0708 11 L 4.0837 8.0431 120.0824 58.1159 41.9327 178.6849 12 V 3.4856 7.2154 116.2008 65.7173 31.2862 176.8056 13 E 4.3225 7.3629 115.8205 56.7790 29.8846 177.6322 14 A 4.2803 9.9242 122.1230 54.7067 18.9701 179.2942 15 L 3.9243 7.5791 115.2794 56.3864 41.8780 178.3209 16 Y 4.0651 7.6633 119.5851 59.2398 38.9763 175.3955 17 L 4.0520 7.6429 119.0033 54.5707 42.8769 176.4578 18 V 4.1073 7.3823 115.5212 63.8884 33.2470 175.6667 19 C 4.1058 7.8488 118.8527 59.1664 31.6366 174.4391 20 G 3.8608 7.8750 107.9882 44.6716 0.0000 173.2991 21 E 4.1740 8.6481 117.1452 57.9433 28.9068 178.2001 22 R 3.9230 7.1080 118.3826 55.3708 30.5316 178.6918 23 G 3.9498 7.1723 109.1037 45.8317 0.0000 169.8096 24 F 4.6936 7.1403 113.6351 56.3575 39.9406 172.2483 25 F 5.1643 7.9930 114.7619 55.7375 40.7338 172.9073 26 Y 4.6943 8.7455 120.9999 55.9628 41.0624 174.0660 27 T 4.3542 7.7905 117.5682 58.9332 69.8427 172.2767 28 P 4.2557 0.0000 0.0000 64.9820 31.8014 177.3048 29 K 4.0895 7.7747 118.8667 56.0997 32.4448 176.8829 30 T 4.0351 8.5548 119.5015 64.0123 68.3011 174.0241 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 F 8.32 4.85 0.00 2.90 3.07 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 0.00 0.00 0.00 2 V 5.93 3.72 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 0.58 0.00 0.00 0.73 0.00 0.00 3 N 8.29 4.99 0.00 2.69 2.70 0.00 0.00 6.89 7.69 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 4 Q 8.21 4.54 0.00 2.25 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.95 0.00 0.00 0.00 0.00 0.00 2.20 2.36 0.00 5 H 9.41 4.35 0.00 3.25 3.35 0.00 5.66 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 L 8.35 4.62 0.00 1.64 1.68 1.02 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 7 C 7.93 4.88 0.00 2.93 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 G 8.62 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.47 4.13 0.00 3.90 4.04 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.30 4.07 0.00 3.21 3.39 0.00 5.61 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 L 8.04 4.08 0.00 1.79 1.75 1.05 1.06 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 12 V 7.22 3.49 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 0.67 0.00 0.00 -0.34 0.00 0.00 13 E 7.36 4.32 0.00 2.19 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.44 0.00 14 A 9.92 4.28 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.58 3.92 0.00 1.17 0.93 0.79 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 16 Y 7.66 4.07 0.00 2.93 3.18 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 0.00 0.00 0.00 17 L 7.64 4.05 0.00 1.60 1.62 0.79 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 18 V 7.38 4.11 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 0.68 0.00 0.00 1.03 0.00 0.00 19 C 7.85 4.11 0.00 2.84 2.92 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.88 3.86 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 0.00 0.00 0.00 21 E 8.65 4.17 0.00 1.98 2.03 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 2.32 2.28 0.00 22 R 7.11 3.92 0.00 1.90 1.89 0.00 3.59 0.00 0.00 3.25 7.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.60 0.00 23 G 7.17 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 24 F 7.14 4.69 0.00 2.96 2.87 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.99 5.16 0.00 3.08 3.07 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 0.00 0.00 0.00 26 Y 8.75 4.69 0.00 3.02 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 27 T 7.79 4.35 4.18 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 0.00 0.00 1.29 0.00 0.00 28 P 0.00 4.26 0.00 2.27 2.46 0.00 3.71 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.08 0.00 29 K 7.77 4.09 0.00 1.74 1.79 0.00 1.74 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.46 7.81 30 T 8.55 4.04 4.25 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 0.00 0.00 0.00 1.22 0.00 0.00