NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 4.0080 8.2127 109.7442 44.8362 0.0000 175.4714 2 I 3.2256 8.6140 122.6982 63.4762 37.3895 172.0068 3 V 3.5615 8.4775 119.8531 65.7980 31.8713 177.1600 4 E 3.9317 8.0743 118.1113 59.7369 29.1816 179.4651 5 Q 4.0536 8.0291 115.9867 58.6337 28.9582 178.4004 6 C 4.5830 8.4219 116.3662 58.2208 41.1248 174.1525 7 C 4.2523 7.8704 119.0649 61.0633 32.1478 174.2483 8 A 4.1725 8.1005 122.0763 54.9215 18.3906 177.0930 9 S 4.9825 7.4916 110.0262 57.2339 64.9271 173.4778 10 V 4.5078 8.2102 112.6602 60.1611 33.8615 173.7463 11 C 5.7869 8.5385 115.4502 52.5260 43.1581 174.0022 12 S 4.5387 8.4994 115.5929 57.4732 64.5989 174.3246 13 L 4.1309 8.1467 118.5824 56.7699 41.5345 178.5036 14 Y 4.2831 7.7391 117.1309 61.0531 37.8294 177.6772 15 Q 4.0905 7.8987 117.9514 59.0177 28.7159 178.8370 16 L 4.2612 7.6212 120.2347 57.9066 41.6248 179.1159 17 E 3.9606 8.0922 119.0431 59.0683 29.2869 178.2057 18 N 4.2931 7.6999 115.4240 55.0950 38.5432 174.8941 19 Y 4.5755 7.6600 116.7529 57.6222 38.6968 175.6915 20 C 4.4214 7.8943 118.6736 59.2435 28.9326 173.5454 21 N 4.5316 8.6839 119.3105 53.7590 38.0870 175.0496 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 4.01 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 8.61 3.23 0.89 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.39 0.69 0.00 0.00 3 V 8.48 3.56 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 0.99 0.00 0.00 0.87 0.00 0.00 4 E 8.07 3.93 0.00 2.35 1.99 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 2.34 2.40 0.00 5 Q 8.03 4.05 0.00 2.07 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.91 0.00 0.00 0.00 0.00 0.00 2.41 2.49 0.00 6 C 8.42 4.58 0.00 3.01 3.10 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 0.00 0.00 0.00 0.00 7 C 7.87 4.25 0.00 2.92 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 8 A 8.10 4.17 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 S 7.49 4.98 0.00 4.01 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 10 V 8.21 4.51 2.09 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 0.79 0.00 0.00 0.94 0.00 0.00 11 C 8.54 5.79 0.00 3.14 3.03 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 0.00 0.00 0.00 12 S 8.50 4.54 0.00 4.12 4.14 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 13 L 8.15 4.13 0.00 1.42 1.54 0.88 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 7.74 4.28 0.00 3.04 2.97 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 0.00 0.00 0.00 15 Q 7.90 4.09 0.00 2.28 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.79 0.00 0.00 0.00 0.00 0.00 2.45 2.49 0.00 16 L 7.62 4.26 0.00 1.95 1.81 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.09 3.96 0.00 2.19 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 18 N 7.70 4.29 0.00 2.33 2.39 0.00 0.00 6.87 7.35 0.00 0.00 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 7.66 4.58 0.00 3.07 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 20 C 7.89 4.42 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 8.68 4.53 0.00 2.72 2.75 0.00 0.00 6.83 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