NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9866 8.3549 109.7479 45.5983 0.0000 173.5318 2 I 3.7588 7.0921 121.1909 62.3740 38.5806 173.8209 3 V 3.6077 8.5325 121.1514 64.9460 32.9918 175.7507 4 E 4.8210 7.4315 119.5381 54.4708 29.1300 174.2135 5 Q 4.5733 7.4790 124.1358 56.5959 34.1196 174.6635 6 C 5.4912 7.8090 114.3116 57.8345 41.5541 175.8572 7 C 4.0005 7.4678 114.3118 62.4196 27.7743 174.8204 8 T 4.2249 7.7167 108.1137 62.6493 69.4385 174.9448 9 S 4.2656 7.8219 114.1760 57.2640 65.7547 173.9171 10 I 3.7434 8.7438 126.9564 61.3773 36.7493 176.4641 11 C 4.4452 8.5672 122.6444 56.7686 36.5561 174.4594 12 S 4.4805 8.2102 115.3489 57.8952 64.0723 175.3852 13 L 3.9511 8.2433 124.3466 57.8865 41.0680 179.4260 14 Y 4.0576 7.5828 115.4073 61.1870 38.1037 177.9995 15 Q 4.1745 8.1959 118.4851 59.0281 28.4174 178.5701 16 L 4.4451 8.0546 119.1038 57.0042 41.6004 178.8270 17 E 4.1802 8.1678 118.6938 58.2555 29.7600 177.5154 18 N 4.7955 7.7435 115.6991 52.9141 37.2584 175.2062 19 Y 4.6490 7.4045 114.8593 58.5712 39.7131 176.0235 20 C 4.4899 7.4290 117.0728 58.5621 29.2298 173.1895 21 N 4.4795 8.6772 119.3475 54.1358 38.4711 174.6931 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 3.99 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 0.00 0.00 0.00 2 I 7.09 3.76 1.65 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 -0.11 0.76 0.00 0.00 3 V 8.53 3.61 2.06 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 1.06 0.00 0.00 0.89 0.00 0.00 4 E 7.43 4.82 0.00 1.98 1.91 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 2.23 2.26 0.00 5 Q 7.48 4.57 0.00 2.14 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 7.15 0.00 0.00 0.00 0.00 0.00 2.16 2.25 0.00 6 C 7.81 5.49 0.00 3.13 3.09 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 0.00 0.00 0.00 0.00 7 C 7.47 4.00 0.00 3.29 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 T 7.72 4.22 4.25 0.00 0.00 0.00 0.00 0.00 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 7.82 4.27 0.00 3.95 3.97 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 10 I 8.74 3.74 1.88 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 1.41 0.53 0.91 0.00 0.00 11 C 8.57 4.45 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 12 S 8.21 4.48 0.00 4.08 3.85 0.00 0.00 0.00 0.00 0.00 0.00 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 8.24 3.95 0.00 1.42 1.29 0.83 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 14 Y 7.58 4.06 0.00 3.03 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 8.20 4.17 0.00 2.29 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.97 0.00 0.00 0.00 0.00 0.00 2.48 2.51 0.00 16 L 8.05 4.45 0.00 1.76 1.78 0.99 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.17 4.18 0.00 2.33 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 2.32 2.20 0.00 18 N 7.74 4.80 0.00 2.58 2.81 0.00 0.00 6.71 7.22 0.00 0.00 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 7.40 4.65 0.00 3.27 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 20 C 7.43 4.49 0.00 3.12 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 4.48 0.00 2.70 2.72 0.00 0.00 6.89 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