NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9790 8.2127 109.7411 45.4252 0.0000 173.6092 2 I 2.9315 8.0537 117.4757 62.8218 37.5836 173.5866 3 V 3.4590 8.3155 120.1234 65.9478 31.7487 177.0511 4 E 3.9570 8.0674 116.3204 59.7874 29.4414 179.1199 5 Q 4.1936 8.2347 116.7367 58.2851 28.9267 177.0893 6 C 5.0642 8.1808 115.4471 56.0301 41.2394 174.0556 7 C 4.3773 8.0761 117.4434 60.0326 28.9776 174.6969 8 T 4.3197 7.9862 116.0628 64.6895 68.7951 175.0278 9 S 4.7795 7.4961 114.5481 55.6582 65.8380 173.0190 10 I 3.8804 8.3101 122.6274 61.4661 38.3181 175.7101 11 C 5.0211 8.4934 124.8868 55.3850 43.2676 174.4406 12 S 4.5477 8.9153 119.4470 57.6195 65.1031 175.5652 13 L 4.0267 8.3881 121.3255 58.0418 41.0662 179.0920 14 Y 4.2538 8.0019 118.0986 60.9784 39.1463 177.7612 15 Q 3.8440 8.0856 118.6969 58.7853 28.7531 178.6877 16 L 4.2401 8.2038 120.2195 57.7042 41.6689 178.9708 17 E 4.1009 8.3140 119.2505 59.0812 29.2049 178.2570 18 N 4.1259 7.6547 116.2113 55.9540 38.8542 174.6771 19 Y 4.4786 8.0008 115.8456 57.7820 38.3835 175.5622 20 C 4.4438 7.7196 118.2428 59.0629 29.0415 173.2926 21 N 4.4936 8.5587 118.8804 54.0551 38.5610 174.8075 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 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.05 2.93 0.71 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.68 0.66 0.00 0.00 3 V 8.32 3.46 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 0.98 0.00 0.00 0.87 0.00 0.00 4 E 8.07 3.96 0.00 2.16 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 0.00 2.32 2.47 0.00 5 Q 8.23 4.19 0.00 2.22 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.77 0.00 0.00 0.00 0.00 0.00 2.45 2.69 0.00 6 C 8.18 5.06 0.00 2.92 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 8.08 4.38 0.00 3.05 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 8 T 7.99 4.32 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 7.50 4.78 0.00 3.95 3.92 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 I 8.31 3.88 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 1.42 0.70 0.92 0.00 0.00 11 C 8.49 5.02 0.00 3.01 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 12 S 8.92 4.55 0.00 4.13 4.08 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 13 L 8.39 4.03 0.00 1.79 1.82 0.95 0.70 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 14 Y 8.00 4.25 0.00 2.88 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 8.09 3.84 0.00 2.40 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.58 0.00 0.00 0.00 0.00 0.00 2.29 2.40 0.00 16 L 8.20 4.24 0.00 1.90 1.78 0.94 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.31 4.10 0.00 2.22 2.15 0.00 0.00 0.00 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 2.35 0.00 18 N 7.65 4.13 0.00 2.42 2.44 0.00 0.00 7.13 7.55 0.00 0.00 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 8.00 4.48 0.00 3.06 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 7.72 4.44 0.00 2.99 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 8.56 4.49 0.00 2.69 2.70 0.00 0.00 6.86 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