NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 C 4.6689 8.4549 120.6403 55.8372 44.8325 173.4331 2 R 3.9021 8.3721 123.6016 56.1005 30.8157 176.1898 3 A 4.4982 7.8930 125.0760 50.5936 18.2597 176.3351 4 G 4.0446 7.4474 112.9345 42.9960 0.0000 170.8617 5 P 4.3811 0.0000 0.0000 65.2676 31.4592 177.3045 6 L 4.4042 7.5477 118.8904 54.1521 42.8006 178.5628 7 Q 3.9285 7.8982 120.8137 59.0582 29.2126 176.6952 8 W 4.4321 8.3885 117.1284 59.7664 27.8257 177.7745 9 L 3.0464 5.8861 120.4998 57.2656 41.4484 179.0678 10 C 4.0142 7.8201 118.6051 59.7467 43.3518 175.5274 11 E 3.9040 7.9459 118.6401 59.2180 29.1857 178.9822 12 K 3.9786 7.9715 118.4350 59.3206 32.3587 177.5973 13 Y 4.3683 7.6811 114.8608 59.5267 38.9378 177.9161 14 F 4.8899 7.5300 116.5587 57.8182 39.6806 176.4214 15 G 4.1339 8.3007 114.6610 46.0230 0.0000 174.0716 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 C 8.45 4.67 0.00 3.07 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 2 R 8.37 3.90 0.00 1.93 1.87 0.00 3.43 0.00 0.00 3.24 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 3 A 7.89 4.50 1.35 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 0.00 0.00 0.00 0.00 0.00 0.00 4 G 7.45 4.04 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 0.00 0.00 0.00 5 P 0.00 4.38 0.00 2.27 2.26 0.00 3.78 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.02 0.00 6 L 7.55 4.40 0.00 1.61 1.38 0.89 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 7 Q 7.90 3.93 0.00 2.30 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.78 0.00 0.00 0.00 0.00 0.00 2.42 2.41 0.00 8 W 8.39 4.43 0.00 3.68 3.35 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 0.00 0.00 0.00 0.00 9 L 5.89 3.05 0.00 0.27 0.77 0.40 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 10 C 7.82 4.01 0.00 3.09 3.15 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 0.00 0.00 0.00 11 E 7.95 3.90 0.00 1.98 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 2.51 2.47 0.00 12 K 7.97 3.98 0.00 1.83 1.82 0.00 1.69 0.00 0.00 1.74 0.00 0.00 3.35 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.91 1.30 7.81 13 Y 7.68 4.37 0.00 2.20 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 F 7.53 4.89 0.00 3.13 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 15 G 8.30 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 0.00 0.00 0.00