NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3326 8.1233 123.5819 51.7265 20.6431 178.4611 3 K 3.8610 8.1139 114.5421 57.8939 31.8974 176.1088 4 A 3.9889 8.5162 123.9762 54.1004 19.2133 178.0390 5 A 4.1814 7.3376 118.4189 54.4322 17.8747 178.1221 6 A 4.2049 7.8776 119.5588 52.1962 18.8511 178.8190 7 A 4.2120 7.7614 120.4013 55.1076 19.4011 179.3225 8 A 3.9506 7.6722 119.4268 55.1661 18.5176 179.8500 9 I 3.7298 7.9661 110.3894 63.3995 36.9049 178.5389 10 K 3.9162 7.9556 121.1863 59.1893 32.1976 178.4165 11 A 4.0011 7.4860 120.6984 55.4458 18.3846 179.7526 12 I 3.6988 7.7121 118.0494 64.4003 37.1947 178.5125 13 A 4.2659 8.6648 121.5184 54.3104 18.0370 179.3271 14 A 4.1279 7.4448 116.3817 54.9262 19.0239 179.6459 15 I 3.6780 7.9307 118.3061 64.5242 36.9435 178.5698 16 I 4.0575 8.3601 121.1346 64.4920 36.7948 178.1612 17 K 3.9094 7.5361 118.3662 59.7402 32.0975 178.3960 18 A 4.2676 8.2456 120.1946 54.7343 18.4171 179.5107 19 G 3.6074 8.3175 103.8151 45.3884 0.0000 174.2797 20 G 3.9218 7.7703 108.1924 46.4013 0.0000 173.3514 21 Y 4.3523 8.4858 122.4291 58.2936 37.8569 176.6789 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 2 A 8.12 4.33 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.11 3.86 0.00 1.84 1.89 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.50 7.81 4 A 8.52 3.99 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.34 4.18 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.88 4.20 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.76 4.21 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 8 A 7.67 3.95 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.97 3.73 1.86 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.29 0.96 0.00 0.00 10 K 7.96 3.92 0.00 1.90 1.83 0.00 1.74 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.50 1.54 7.81 11 A 7.49 4.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.71 3.70 1.87 0.00 0.00 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 1.61 0.78 0.90 0.00 0.00 13 A 8.66 4.27 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.44 4.13 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 I 7.93 3.68 2.05 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.71 0.99 0.00 0.00 16 I 8.36 4.06 2.12 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.51 0.94 0.00 0.00 17 K 7.54 3.91 0.00 1.91 1.98 0.00 1.81 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.49 7.81 18 A 8.25 4.27 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 19 G 8.32 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.77 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 21 Y 8.49 4.35 0.00 2.98 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00