NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.3411 8.1133 119.7063 56.4586 32.7473 177.0258 2 M 4.0514 7.6112 117.9352 56.6116 32.2053 176.9727 3 K 3.6007 8.1387 119.0216 59.5928 32.8900 176.9926 4 Q 4.0454 8.0495 120.7068 57.9302 28.9006 177.2080 5 L 4.0063 8.1702 118.9070 58.1159 41.9784 178.9852 6 E 4.1680 8.7979 116.9378 57.7834 29.5288 177.1760 7 D 4.8971 9.5665 119.3306 55.5236 41.7414 177.7646 8 K 4.1512 7.7870 118.1114 57.7620 32.5836 177.9408 9 V 3.6143 7.9205 117.6566 64.9161 31.8385 177.0877 10 E 4.0335 7.7388 119.0790 58.9428 29.3526 178.3687 11 E 4.1522 8.0997 118.4622 59.1121 29.4817 178.8858 12 L 4.0222 7.3208 118.0506 57.6820 41.7049 179.2295 13 L 4.1573 7.6464 118.0947 57.8010 41.9764 179.1543 14 S 4.3489 7.8978 113.2923 61.0373 62.2686 176.3500 15 K 4.1537 8.1258 117.9449 57.3698 31.4513 178.0090 *17 Y 4.5807 7.7453 121.8159 58.1037 40.5677 176.9599 18 H 3.9870 7.9478 116.2384 58.7340 28.7290 177.7642 19 L 3.9593 7.9381 120.7973 57.8571 41.4517 179.5148 20 E 3.9431 8.0047 117.9091 59.3639 29.4413 178.8891 21 N 4.2245 7.7229 115.9311 56.3185 38.6227 177.2417 22 E 3.8873 8.1768 119.8442 59.5716 29.6097 179.6690 23 V 3.5883 7.8600 117.8827 65.8267 31.6099 177.9782 24 A 3.9405 8.0042 120.6307 54.9244 18.2540 179.3382 25 R 3.8028 8.0640 117.3358 59.6898 30.0655 178.5781 26 L 3.9403 7.8887 118.4450 57.7589 41.3713 179.1489 27 K 3.7448 7.9591 119.4837 59.7839 31.7379 178.7557 28 K 3.9107 7.5781 116.5942 59.3992 32.1217 179.1682 29 L 4.1188 7.7282 117.7086 58.2494 41.7497 178.4186 30 V 3.1332 8.4946 115.9266 61.9323 31.5807 171.9734 31 G 3.9539 7.1836 117.7598 45.1368 0.0000 173.8363 *32 E 5.1849 8.7345 120.7812 57.9711 33.4624 173.7049 33 R 4.1276 8.1326 117.6074 57.3758 29.6264 175.7647 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 R 8.11 4.34 0.00 1.86 1.94 0.00 3.25 0.00 0.00 3.33 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 2 M 7.61 4.05 0.00 2.18 2.10 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.71 0.00 3 K 8.14 3.60 0.00 1.74 1.83 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.49 7.81 4 Q 8.05 4.05 0.00 2.21 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.59 0.00 0.00 0.00 0.00 0.00 2.42 2.45 0.00 5 L 8.17 4.01 0.00 1.74 1.73 0.92 0.92 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 6 E 8.80 4.17 0.00 2.12 1.92 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 2.32 2.34 0.00 7 D 9.57 4.90 0.00 2.94 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.79 4.15 0.00 1.87 1.79 0.00 1.79 0.00 0.00 1.75 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.50 1.55 7.81 9 V 7.92 3.61 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 0.95 0.00 0.00 0.97 0.00 0.00 10 E 7.74 4.03 0.00 2.05 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 0.00 2.30 2.33 0.00 11 E 8.10 4.15 0.00 2.06 1.98 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 2.40 2.59 0.00 12 L 7.32 4.02 0.00 1.65 1.74 0.97 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 13 L 7.65 4.16 0.00 1.81 1.72 0.91 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 14 S 7.90 4.35 0.00 3.85 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 15 K 8.13 4.15 0.00 1.99 1.82 0.00 1.76 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.49 1.62 7.81 *17 Y 7.75 4.58 0.00 3.05 3.20 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.95 3.99 0.00 3.24 3.25 0.00 5.68 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 L 7.94 3.96 0.00 1.79 1.71 0.92 0.91 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 20 E 8.00 3.94 0.00 2.10 1.96 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 2.39 2.39 0.00 21 N 7.72 4.22 0.00 2.71 2.72 0.00 0.00 7.07 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 E 8.18 3.89 0.00 2.06 1.96 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 2.38 2.42 0.00 23 V 7.86 3.59 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 1.00 0.00 0.00 0.91 0.00 0.00 24 A 8.00 3.94 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 R 8.06 3.80 0.00 1.94 2.06 0.00 3.08 0.00 0.00 3.14 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 26 L 7.89 3.94 0.00 1.73 1.69 0.91 0.67 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 27 K 7.96 3.74 0.00 2.20 1.98 0.00 1.51 0.00 0.00 1.64 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.55 7.81 28 K 7.58 3.91 0.00 2.10 1.84 0.00 1.75 0.00 0.00 1.70 0.00 0.00 3.07 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.47 1.47 7.81 29 L 7.73 4.12 0.00 1.74 1.72 0.91 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 30 V 8.49 3.13 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.92 0.00 0.00 31 G 7.18 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *32 E 8.73 5.18 0.00 2.04 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.65 0.00 33 R 8.13 4.13 0.00 1.81 1.83 0.00 3.20 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 * Residues marked with a * may have inaccurate shift predictions.