NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.2851 8.0976 120.8621 56.1391 31.1863 174.2292 2 I 4.4597 8.0719 118.1215 58.3547 40.2186 173.6363 3 H 4.7619 9.6663 122.9684 58.7783 32.7995 176.9158 4 M 4.7864 8.2884 113.8195 55.2232 32.2640 178.1545 5 V 4.3316 8.2493 115.6663 62.3614 33.8505 171.0870 6 Y 4.2898 8.1039 120.7811 58.5707 39.0080 176.1699 7 S 4.8555 7.6660 116.9333 59.0559 70.0800 175.1211 8 K 4.7221 7.5825 116.3094 54.9184 35.0582 174.9231 9 R 3.8760 7.9123 118.6424 58.4224 30.1671 176.7582 10 S 4.3511 8.0798 121.9799 58.4225 63.4078 175.2148 11 G 4.0766 8.4279 118.9232 49.5660 0.0000 174.4760 12 K 4.1477 6.8770 119.8932 58.0195 35.3217 174.2476 13 P 4.2817 0.0000 0.0000 65.1179 31.7956 177.4625 14 R 3.8690 7.6236 114.9576 57.3700 30.1199 178.5546 15 G 3.5113 7.4362 105.5017 45.9881 0.0000 173.4079 16 Y 4.0106 7.5967 121.5884 59.9148 39.0914 177.0450 17 A 3.8429 7.7322 118.1508 53.3722 18.1626 177.2444 18 F 4.9935 7.4544 111.8164 58.3927 44.5831 175.5563 19 I 4.1212 7.8940 121.3409 63.5890 37.3635 176.6836 20 E 3.9966 7.7140 119.4810 58.2432 30.1567 175.4173 21 Y 4.0078 7.2363 123.1891 57.7757 38.6696 175.3884 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 8.10 4.29 0.00 1.84 1.95 0.00 3.11 0.00 0.00 3.19 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.53 0.00 2 I 8.07 4.46 2.08 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.74 0.96 0.00 0.00 3 H 9.67 4.76 0.00 3.34 3.63 0.00 5.87 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 M 8.29 4.79 0.00 1.75 1.14 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.47 0.00 5 V 8.25 4.33 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.00 0.00 0.88 0.00 0.00 6 Y 8.10 4.29 0.00 2.99 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 7 S 7.67 4.86 0.00 3.90 3.88 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 0.00 0.00 0.00 8 K 7.58 4.72 0.00 1.83 1.81 0.00 1.63 0.00 0.00 1.84 0.00 0.00 2.82 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.39 1.40 7.81 9 R 7.91 3.88 0.00 1.81 2.02 0.00 3.27 0.00 0.00 3.16 7.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 10 S 8.08 4.35 0.00 4.07 3.87 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 11 G 8.43 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 0.00 0.00 0.00 12 K 6.88 4.15 0.00 1.68 1.85 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.77 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.22 1.20 7.81 13 P 0.00 4.28 0.00 2.15 2.06 0.00 3.86 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.90 0.00 14 R 7.62 3.87 0.00 1.72 2.08 0.00 2.85 0.00 0.00 3.28 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.31 0.00 15 G 7.44 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.60 4.01 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 17 A 7.73 3.84 0.90 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 0.00 0.00 18 F 7.45 4.99 0.00 3.11 3.02 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.89 4.12 2.06 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.14 1.00 0.00 0.00 20 E 7.71 4.00 0.00 1.71 1.12 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 2.08 2.00 0.00 21 Y 7.24 4.01 0.00 2.71 2.58 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 0.00 0.00 0.00 0.00