NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8976 8.3393 109.7270 46.0441 0.0000 172.2832 2 S 4.3377 7.8213 111.6471 56.7115 65.3179 173.0275 3 F 4.5166 9.3264 121.2092 56.7432 41.0499 177.5391 4 L 4.6246 8.2358 123.9846 51.8875 41.4217 175.0371 5 P 4.2873 0.0000 0.0000 65.8896 31.1732 179.0819 6 N 4.4420 8.1024 114.8825 55.5350 38.6023 175.9545 7 S 4.3441 7.9449 111.1316 58.9644 63.6405 174.0757 8 E 4.0792 7.8258 123.5080 56.3302 29.7226 175.7938 9 Q 4.5758 8.4092 124.3365 54.0561 32.2956 174.5347 10 Q 4.4298 8.5094 123.0473 55.0430 30.3618 174.7255 11 K 4.6628 8.1750 123.8858 55.0496 35.3719 175.2699 12 S 4.7413 8.3361 118.8426 56.9036 66.0059 173.4188 13 V 4.5259 7.9620 114.0925 59.8739 35.5385 174.3459 14 D 4.7665 8.5298 121.4102 53.1799 41.8761 176.2953 15 I 4.3639 8.1544 124.7321 59.5313 38.9675 175.2243 16 V 4.1944 8.2190 123.0847 60.9190 33.2668 174.4618 17 A 4.5100 8.5947 130.6440 50.9921 19.7234 176.1162 18 S 4.7786 8.2677 118.9593 56.3299 65.5734 174.3442 19 S 3.9926 8.5935 122.4060 58.9160 62.7114 173.4338 *20 P 4.2215 0.0000 0.0000 62.2329 31.2045 172.7486 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 8.34 3.90 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 0.00 0.00 0.00 2 S 7.82 4.34 0.00 4.04 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 F 9.33 4.52 0.00 3.06 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 4 L 8.24 4.62 0.00 1.77 1.63 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 5 P 0.00 4.29 0.00 2.22 2.35 0.00 3.79 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.05 0.00 6 N 8.10 4.44 0.00 2.75 2.93 0.00 0.00 6.92 7.57 0.00 0.00 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 S 7.94 4.34 0.00 4.02 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.83 4.08 0.00 1.93 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 2.31 2.27 0.00 9 Q 8.41 4.58 0.00 2.03 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.64 0.00 0.00 0.00 0.00 0.00 2.42 2.31 0.00 10 Q 8.51 4.43 0.00 2.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.66 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 11 K 8.17 4.66 0.00 1.70 1.60 0.00 1.79 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.32 1.42 7.81 12 S 8.34 4.74 0.00 3.95 3.75 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.96 4.53 2.08 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 0.77 0.00 0.00 0.93 0.00 0.00 14 D 8.53 4.77 0.00 2.66 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.15 4.36 1.87 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 1.30 0.81 0.91 0.00 0.00 16 V 8.22 4.19 2.08 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 0.82 0.00 0.00 0.93 0.00 0.00 17 A 8.59 4.51 1.25 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 0.00 0.00 0.00 18 S 8.27 4.78 0.00 3.84 3.76 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.59 3.99 0.00 3.86 3.83 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.22 0.00 1.83 1.86 0.00 3.65 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 1.84 2.08 0.00 * Residues marked with a * may have inaccurate shift predictions.