NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 4.0176 8.2127 109.7424 45.7858 0.0000 176.2468 2 I 3.7150 8.5707 123.0158 62.4026 37.8840 171.8737 3 V 3.4898 8.4320 120.0871 66.5641 31.5457 176.9012 4 E 4.0148 8.1056 117.5665 59.2787 29.3270 178.7881 5 Q 3.9347 7.9995 118.3259 59.7218 29.1602 178.1294 6 C 4.2314 8.8391 116.8880 59.3113 40.1719 174.7466 7 C 4.4288 7.3205 117.5312 60.9797 32.2653 174.6838 8 A 4.2221 8.4797 122.2965 54.5997 19.5277 178.2265 9 S 4.7008 7.6425 104.4803 57.9912 61.6094 177.3975 10 V 4.5363 8.3690 105.7969 60.1055 35.0266 171.3587 11 C 5.2978 8.5274 116.5196 53.6411 46.2486 172.9804 12 S 5.0261 8.5344 113.8125 56.0266 65.2642 175.2152 13 L 3.9729 8.5718 121.8286 58.4577 41.0727 179.4441 14 Y 4.1704 7.9900 115.1508 61.1934 38.1633 178.3166 15 Q 4.2199 8.3835 119.1041 58.6867 28.7324 178.2685 16 L 4.3876 7.8857 119.0678 57.0337 41.6892 178.6033 17 E 4.1379 8.1766 118.5740 58.5919 29.0665 178.6796 18 N 4.2436 7.7600 116.2775 55.8798 38.6603 175.3909 19 Y 4.3850 7.4245 115.3869 58.4293 38.2682 175.4725 20 C 4.4829 7.3421 117.8912 58.8879 29.1378 173.5193 21 N 4.5132 8.6631 118.3475 53.8544 38.0696 175.1531 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 G 8.21 4.02 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 0.00 0.00 0.00 2 I 8.57 3.72 1.93 0.00 0.00 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 1.53 1.28 0.46 0.00 0.00 3 V 8.43 3.49 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 0.96 0.00 0.00 0.76 0.00 0.00 4 E 8.11 4.01 0.00 2.27 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 2.40 2.42 0.00 5 Q 8.00 3.93 0.00 2.16 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.75 0.00 0.00 0.00 0.00 0.00 2.39 2.43 0.00 6 C 8.84 4.23 0.00 3.00 3.14 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.32 4.43 0.00 3.06 2.99 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 8 A 8.48 4.22 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 9 S 7.64 4.70 0.00 3.82 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 10 V 8.37 4.54 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.95 0.00 0.00 11 C 8.53 5.30 0.00 3.16 3.06 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.53 5.03 0.00 4.17 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 L 8.57 3.97 0.00 1.52 1.63 0.86 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 7.99 4.17 0.00 2.93 3.01 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 0.00 0.00 0.00 15 Q 8.38 4.22 0.00 2.40 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.82 0.00 0.00 0.00 0.00 0.00 2.42 2.46 0.00 16 L 7.89 4.39 0.00 1.89 1.78 0.94 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.18 4.14 0.00 2.31 2.02 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 2.31 2.28 0.00 18 N 7.76 4.24 0.00 2.67 2.43 0.00 0.00 6.99 7.09 0.00 0.00 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 Y 7.42 4.39 0.00 2.98 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 20 C 7.34 4.48 0.00 3.09 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 21 N 8.66 4.51 0.00 2.72 2.75 0.00 0.00 6.81 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00