NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 4.0143 8.3544 109.7405 44.2561 0.0000 174.6552 2 I 3.8565 7.2495 117.2964 60.1243 39.9432 172.7724 3 V 3.4427 7.6456 118.8897 66.0302 31.8466 177.1094 4 E 3.4784 8.0963 117.2214 59.0250 29.4525 177.9482 5 Q 4.1536 7.9463 118.4313 58.4347 29.4556 177.4009 6 C 4.6445 8.2456 116.3015 57.4962 40.6166 174.2682 7 C 4.5720 8.4532 120.9758 59.2535 31.1917 173.5306 8 T 4.4912 7.9460 108.3662 62.6269 70.0477 175.4471 9 S 4.5007 7.5266 114.2150 57.3952 64.8336 169.8305 10 I 3.2636 7.5404 128.9058 60.9830 37.3741 173.4175 11 C 4.6200 8.5983 122.3297 56.4009 42.3543 173.4358 12 S 4.6552 8.6193 116.6605 57.1134 64.2677 175.0250 13 L 3.8275 8.5148 122.5110 58.9159 41.3424 178.9578 14 Y 4.1991 7.5409 114.3969 60.9403 38.0714 177.9369 15 Q 4.2652 8.3129 119.3851 58.7585 28.8692 178.4072 16 L 4.4854 8.0020 119.6019 57.6156 41.6887 178.9946 17 E 4.0277 8.0881 118.9240 59.5520 29.1545 178.8791 18 N 4.2536 7.5763 114.1363 56.2333 38.5961 176.1083 19 Y 4.3850 7.5396 115.6571 57.7896 38.6100 175.3770 20 C 4.2568 7.6496 120.6320 59.5549 32.3701 172.8454 21 N 4.5305 8.5282 119.9965 53.6605 38.5754 174.5433 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 8.35 4.01 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 0.00 0.00 0.00 2 I 7.25 3.86 1.37 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.07 0.76 0.00 0.00 3 V 7.65 3.44 2.04 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 0.89 0.00 0.00 0.87 0.00 0.00 4 E 8.10 3.48 0.00 1.99 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.37 0.00 5 Q 7.95 4.15 0.00 2.18 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.96 0.00 0.00 0.00 0.00 0.00 2.37 2.49 0.00 6 C 8.25 4.64 0.00 2.97 3.04 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 7 C 8.45 4.57 0.00 2.86 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 8 T 7.95 4.49 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 9 S 7.53 4.50 0.00 3.82 3.83 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.54 3.26 1.87 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 1.29 0.35 0.91 0.00 0.00 11 C 8.60 4.62 0.00 2.97 3.08 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 12 S 8.62 4.66 0.00 4.12 4.05 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 0.00 0.00 0.00 0.00 13 L 8.51 3.83 0.00 1.52 1.15 0.76 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 7.54 4.20 0.00 3.12 3.04 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 15 Q 8.31 4.27 0.00 2.48 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.87 0.00 0.00 0.00 0.00 0.00 2.47 2.49 0.00 16 L 8.00 4.49 0.00 1.85 1.78 0.91 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.09 4.03 0.00 2.21 2.04 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 2.35 2.36 0.00 18 N 7.58 4.25 0.00 2.07 2.50 0.00 0.00 6.97 7.33 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 19 Y 7.54 4.38 0.00 3.16 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 20 C 7.65 4.26 0.00 2.98 2.88 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 21 N 8.53 4.53 0.00 2.73 2.68 0.00 0.00 6.86 7.58 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