NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 I 4.0445 8.0093 114.2669 60.1806 38.8126 175.1334 4 P 4.5760 0.0000 0.0000 60.7226 32.8913 172.2389 5 E 4.0099 8.9837 120.0065 56.4257 30.7275 178.5390 6 A 3.2693 7.6150 124.0179 50.5755 19.0331 175.7300 7 P 4.1364 0.0000 0.0000 63.4561 32.1750 178.0883 8 R 4.3123 8.2040 122.7015 55.1265 28.2300 174.2846 9 D 4.5415 7.1845 117.4925 54.4007 42.1021 176.3745 *11 Q 3.9755 7.6838 119.5231 54.3996 30.2304 174.8683 12 A 4.3791 8.0678 122.6514 52.0142 19.8541 176.0277 13 Y 5.2384 8.5640 118.1656 56.3647 41.9382 175.1175 14 V 4.7414 9.2561 115.1178 59.8195 35.7068 174.4237 15 R 4.8780 8.4900 121.3713 54.7517 31.4227 175.3636 16 K 4.4534 8.6827 122.5360 56.5784 36.1927 175.7206 *19 E 4.0969 7.9384 117.3247 55.8041 30.5570 174.3974 20 W 5.0997 8.4823 121.7178 56.4891 30.1490 175.8949 21 V 4.7863 9.3424 124.7101 60.7083 34.4965 174.7083 22 L 3.9940 8.6268 127.1722 54.6055 42.1330 178.0038 23 L 4.2083 8.9769 126.2937 58.2561 42.2119 178.9886 24 S 4.2668 7.8981 112.1329 60.4093 63.0120 175.5508 25 T 3.9293 7.6137 112.7714 63.3947 68.7571 175.5835 26 F 4.5894 8.0385 120.0701 58.5619 40.2291 175.5419 27 L 4.3323 7.9067 121.3341 54.8221 41.7476 176.2280 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 3 I 8.01 4.04 1.66 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.21 0.75 0.00 0.00 4 P 0.00 4.58 0.00 2.38 2.16 0.00 3.78 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.13 0.00 5 E 8.98 4.01 0.00 1.96 1.87 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 2.34 2.26 0.00 6 A 7.61 3.27 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.14 0.00 2.13 1.97 0.00 2.35 0.00 0.00 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.92 0.00 8 R 8.20 4.31 0.00 1.77 1.87 0.00 3.12 0.00 0.00 3.25 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.56 0.00 9 D 7.18 4.54 0.00 2.76 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.68 3.98 0.00 2.07 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.84 7.00 0.00 0.00 0.00 0.00 0.00 2.21 2.53 0.00 12 A 8.07 4.38 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.56 5.24 0.00 2.61 3.11 0.00 0.00 0.00 0.00 0.00 0.00 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 V 9.26 4.74 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 1.08 0.00 0.00 15 R 8.49 4.88 0.00 1.50 1.68 0.00 2.42 0.00 0.00 2.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.36 0.00 16 K 8.68 4.45 0.00 1.77 1.81 0.00 2.07 0.00 0.00 1.88 0.00 0.00 3.12 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.45 7.81 *19 E 7.94 4.10 0.00 2.26 1.97 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 2.32 2.35 0.00 20 W 8.48 5.10 0.00 2.98 2.83 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 21 V 9.34 4.79 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 1.13 0.00 0.00 22 L 8.63 3.99 0.00 1.55 1.41 0.86 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 23 L 8.98 4.21 0.00 1.75 1.74 0.98 0.92 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 24 S 7.90 4.27 0.00 4.02 3.93 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 25 T 7.61 3.93 3.93 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 1.10 0.00 0.00 26 F 8.04 4.59 0.00 3.19 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 L 7.91 4.33 0.00 1.66 1.60 0.95 0.86 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 * Residues marked with a * may have inaccurate shift predictions.