NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 4.3876 8.2127 109.7394 45.9232 0.0000 175.5790 2 I 3.2930 7.4709 120.4440 62.9399 37.6812 172.3492 3 V 3.5040 7.4393 119.1844 65.6522 30.9366 177.3101 4 E 3.9564 7.9992 116.9933 59.5680 29.4342 178.7842 5 Q 4.0936 8.4109 120.0904 58.1903 29.2672 176.0033 6 C 5.5487 8.3570 113.4132 56.2819 40.8878 173.9781 7 C 4.3055 7.7201 118.4585 61.3767 28.9273 175.4001 8 T 4.1834 7.3629 112.8801 65.3021 68.6235 175.1721 9 S 4.7504 7.5785 113.8740 55.8015 66.0948 173.1779 10 I 4.0218 8.3766 123.3140 61.8141 37.2856 176.1521 11 C 5.0313 8.5909 123.0974 55.3635 37.7255 174.5493 12 S 4.5905 9.1020 120.2532 57.3859 65.4105 175.3897 13 L 3.9754 8.1274 121.7555 58.8209 39.8781 178.8167 14 Y 4.0470 7.3782 116.7971 61.0713 37.9752 177.8364 15 Q 4.1863 8.3208 119.1032 58.8684 28.7976 178.6153 16 L 4.3413 8.0392 120.0313 57.8147 41.6272 179.3166 17 E 3.9814 8.2217 118.3697 59.2232 29.0853 178.9719 18 N 4.3105 7.6198 115.7191 55.5222 38.5211 175.7909 19 Y 4.6217 7.4929 116.0837 57.1824 38.4981 175.3656 20 C 4.5216 7.3212 118.5288 58.8634 29.3105 173.5218 21 N 4.5455 8.5128 117.1276 53.8267 38.1793 175.4874 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 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.47 3.29 0.60 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.76 0.64 0.00 0.00 3 V 7.44 3.50 2.03 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 1.00 0.00 0.00 0.87 0.00 0.00 4 E 8.00 3.96 0.00 2.24 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.53 0.00 5 Q 8.41 4.09 0.00 2.27 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.93 0.00 0.00 0.00 0.00 0.00 2.44 2.47 0.00 6 C 8.36 5.55 0.00 2.97 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 7 C 7.72 4.31 0.00 3.01 2.96 0.00 0.00 0.00 0.00 0.00 0.00 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 7.36 4.18 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 1.21 0.00 0.00 9 S 7.58 4.75 0.00 3.95 3.91 0.00 0.00 0.00 0.00 0.00 0.00 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 8.38 4.02 1.89 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 1.42 0.54 0.93 0.00 0.00 11 C 8.59 5.03 0.00 2.98 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 9.10 4.59 0.00 4.23 4.13 0.00 0.00 0.00 0.00 0.00 0.00 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 8.13 3.98 0.00 1.77 1.79 0.52 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 7.38 4.05 0.00 3.10 3.11 0.00 0.00 0.00 0.00 0.00 0.00 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 8.32 4.19 0.00 2.34 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.43 2.47 0.00 16 L 8.04 4.34 0.00 2.04 1.77 1.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.22 3.98 0.00 2.21 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 2.30 2.46 0.00 18 N 7.62 4.31 0.00 1.97 2.53 0.00 0.00 6.96 7.32 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 19 Y 7.49 4.62 0.00 3.09 2.93 0.00 0.00 0.00 0.00 0.00 0.00 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 7.32 4.52 0.00 3.06 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 8.51 4.55 0.00 2.72 2.74 0.00 0.00 6.76 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