NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9981 8.2085 108.0080 46.1166 0.0000 172.7184 2 A 4.7153 8.3610 127.8890 49.4688 21.9769 173.8513 3 Q 4.1216 8.6122 125.1282 55.3217 29.9185 172.4888 4 V 4.5710 7.8758 126.0819 60.8211 32.5742 175.0461 5 S 4.8743 8.2032 123.3754 56.9369 66.3364 172.9692 6 R 5.2042 8.0818 120.0584 54.7028 32.7076 174.5992 7 Q 4.3976 8.6497 120.7813 56.8471 34.2564 173.4949 *23 S 4.4786 7.7156 111.0757 58.7794 63.5599 173.1228 24 L 4.5802 8.2916 127.9267 53.5885 42.2111 174.5241 25 N 5.4370 8.4585 123.0070 51.8886 40.5300 173.2125 26 Y 5.0327 8.3164 123.7790 55.8992 41.7145 174.2073 27 F 4.6223 8.6761 124.6729 55.7389 40.4941 174.5348 28 N 4.3479 7.8266 125.6055 52.0842 37.4387 172.7979 29 I 4.1974 7.4939 122.1371 60.4801 38.5774 174.8400 30 N 4.6614 8.6116 126.2083 52.0489 39.3735 174.0592 31 Y 4.0820 8.4618 124.6754 59.4960 38.3887 175.7602 32 F 5.0035 7.9551 116.6448 55.5776 42.1662 174.9101 33 K 4.4718 8.7446 119.6133 56.5475 32.2742 176.5252 34 D 4.9916 7.7920 119.2830 52.0016 43.7678 176.8525 35 A 4.0195 8.7401 125.7566 55.1914 18.6508 179.6039 36 A 4.0582 7.9673 117.5990 55.2099 18.6423 178.9562 37 S 4.2395 7.8848 111.9256 61.1871 63.0898 175.2387 38 S 4.4225 7.6355 114.4438 57.7898 63.4191 175.0903 39 G 3.8747 8.2877 109.6619 44.6916 0.0000 173.0138 40 A 4.0751 8.5026 121.6037 52.6509 18.7578 178.0780 41 S 4.3994 8.3419 117.0369 57.9660 63.7123 174.6223 42 R 4.2539 8.3000 122.0809 56.2297 30.7848 175.6762 43 L 4.6961 7.9247 117.8404 53.9210 44.2684 176.4887 44 D 4.6809 8.8931 119.0113 54.6629 41.6870 175.6799 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 8.21 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 2 A 8.36 4.72 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.61 4.12 0.00 2.06 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.77 0.00 0.00 0.00 0.00 0.00 2.25 2.25 0.00 4 V 7.88 4.57 1.93 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 0.57 0.00 0.00 0.94 0.00 0.00 5 S 8.20 4.87 0.00 3.84 3.73 0.00 0.00 0.00 0.00 0.00 0.00 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 8.08 5.20 0.00 1.89 1.68 0.00 3.07 0.00 0.00 2.72 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.44 0.00 7 Q 8.65 4.40 0.00 2.11 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.32 0.00 0.00 0.00 0.00 0.00 2.26 2.28 0.00 *23 S 7.72 4.48 0.00 3.96 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 L 8.29 4.58 0.00 1.66 1.57 0.95 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 25 N 8.46 5.44 0.00 2.78 2.47 0.00 0.00 7.08 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 Y 8.32 5.03 0.00 2.92 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.68 4.62 0.00 2.84 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 N 7.83 4.35 0.00 2.15 2.43 0.00 0.00 7.01 7.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 I 7.49 4.20 1.27 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.69 0.22 0.00 0.00 30 N 8.61 4.66 0.00 2.55 2.62 0.00 0.00 7.26 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 Y 8.46 4.08 0.00 2.45 2.33 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 0.00 32 F 7.96 5.00 0.00 3.06 2.97 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 0.00 0.00 0.00 33 K 8.74 4.47 0.00 1.81 1.87 0.00 1.73 0.00 0.00 1.73 0.00 0.00 2.98 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.51 7.81 34 D 7.79 4.99 0.00 2.68 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 A 8.74 4.02 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 A 7.97 4.06 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 S 7.88 4.24 0.00 4.20 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 38 S 7.64 4.42 0.00 3.98 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 39 G 8.29 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 40 A 8.50 4.08 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 S 8.34 4.40 0.00 3.89 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 R 8.30 4.25 0.00 1.82 1.91 0.00 3.20 0.00 0.00 3.26 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 43 L 7.92 4.70 0.00 1.60 1.55 0.92 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 44 D 8.89 4.68 0.00 2.70 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.