NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.8343 8.2133 109.7246 45.1809 0.0000 174.0830 3 K 4.1042 8.1963 115.4834 56.2304 31.6258 176.4914 4 G 3.9190 7.8663 106.5297 44.8275 0.0000 173.9051 5 D 4.3807 8.1901 119.8341 58.1415 40.1029 182.4070 6 R 2.9477 7.7052 113.6247 57.0688 32.7627 177.1822 7 R 3.4967 7.3196 124.3045 55.5253 29.6343 175.4266 8 T 4.5330 6.8172 106.4266 60.1057 71.4252 172.6925 9 R 3.9295 8.3334 120.8181 58.5000 29.7236 178.4590 10 R 4.1212 8.6274 121.1970 59.0588 30.3549 178.7419 11 G 3.5229 8.2454 105.9747 47.8114 0.0000 175.7344 12 K 4.1868 7.9477 121.9396 58.2264 31.9600 178.9936 13 I 3.5975 7.6436 119.3497 63.9985 37.1916 177.4650 14 W 4.2151 7.8802 127.4490 60.4547 30.6503 177.4264 15 R 3.9772 7.5752 115.9872 60.1213 29.6583 177.3137 16 G 4.0034 8.3741 104.1207 45.3535 0.0000 173.0025 17 T 4.7214 7.5372 109.3212 60.0182 71.2637 172.8708 18 Y 4.7574 8.2176 117.9336 56.5986 41.3678 175.8202 19 G 4.1630 8.2167 108.1230 45.1695 0.0000 173.5192 20 K 3.9174 9.0261 119.7893 59.0957 32.0058 177.4243 21 Y 4.5735 8.1550 113.4241 57.8347 39.0568 176.5335 22 R 4.7083 8.6551 120.7724 53.8428 31.0307 172.1866 23 P 4.4763 0.0000 0.0000 63.2353 32.5909 177.7039 24 R 4.3011 8.3313 121.4262 55.0655 28.5017 176.6495 25 K 3.7578 7.9664 125.7839 55.7390 32.7015 176.3168 *26 K 4.1330 8.3800 119.9222 54.7816 32.3269 172.4296 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 2 G 8.21 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 0.00 0.00 0.00 3 K 8.20 4.10 0.00 1.33 0.98 0.00 1.51 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.37 1.37 7.81 4 G 7.87 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 0.00 0.00 0.00 5 D 8.19 4.38 0.00 2.66 2.56 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 0.00 0.00 0.00 0.00 6 R 7.71 2.95 0.00 1.78 2.07 0.00 3.22 0.00 0.00 3.21 7.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.77 0.00 7 R 7.32 3.50 0.00 1.30 0.66 0.00 2.93 0.00 0.00 2.97 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.32 0.00 8 T 6.82 4.53 4.25 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 1.26 0.00 0.00 9 R 8.33 3.93 0.00 1.97 1.76 0.00 3.25 0.00 0.00 3.34 8.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.78 0.00 10 R 8.63 4.12 0.00 1.89 2.02 0.00 3.17 0.00 0.00 3.34 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.73 0.00 11 G 8.25 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.95 4.19 0.00 1.90 1.74 0.00 1.57 0.00 0.00 1.66 0.00 0.00 3.06 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.55 7.81 13 I 7.64 3.60 2.06 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 1.45 0.84 0.91 0.00 0.00 14 W 7.88 4.22 0.00 3.39 3.27 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.58 3.98 0.00 2.15 1.99 0.00 3.79 0.00 0.00 3.48 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.77 0.00 16 G 8.37 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 0.00 0.00 0.00 17 T 7.54 4.72 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 18 Y 8.22 4.76 0.00 2.86 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 19 G 8.22 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.03 3.92 0.00 1.80 2.11 0.00 1.77 0.00 0.00 1.81 0.00 0.00 2.61 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.06 1.40 7.81 21 Y 8.15 4.57 0.00 2.90 2.98 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 22 R 8.66 4.71 0.00 1.73 1.73 0.00 2.84 0.00 0.00 2.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.48 0.00 23 P 0.00 4.48 0.00 2.12 2.03 0.00 3.75 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.15 0.00 24 R 8.33 4.30 0.00 1.79 1.80 0.00 3.20 0.00 0.00 2.88 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.64 0.00 25 K 7.97 3.76 0.00 1.90 1.86 0.00 1.80 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.31 1.44 7.81 *26 K 8.38 4.13 0.00 1.56 1.61 0.00 1.66 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 * Residues marked with a * may have inaccurate shift predictions.