NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3897 8.3049 118.1766 54.5403 33.2314 175.1769 2 R 3.8919 7.4761 118.8262 53.9222 33.6441 170.6833 3 D 4.6163 9.4959 122.8926 53.9287 44.3354 175.9769 4 L 4.3879 8.5599 128.1387 57.7933 44.6490 175.5435 5 K 4.2223 9.3650 125.3808 58.2874 29.0285 175.1797 6 T 3.0001 7.5519 111.3150 61.9680 70.2823 172.7395 7 Y 4.9945 7.7910 119.5842 57.9170 39.2948 175.5062 8 L 4.5884 8.5638 126.7887 54.9000 44.7023 178.2930 9 S 4.1373 8.6733 120.7101 58.8147 60.9400 176.8398 10 V 3.8501 9.0862 120.3057 61.9346 32.1846 168.8426 11 A 4.4209 8.1634 127.3190 50.4193 20.0712 175.2998 12 P 4.3676 0.0000 0.0000 65.8808 31.1404 177.8823 13 V 4.3356 7.3004 115.5475 58.6411 31.6544 175.6067 14 V 3.9886 7.7798 121.0529 63.4689 32.0065 177.9557 15 S 4.4520 8.1477 115.6513 62.2765 62.7960 175.6389 16 T 4.4602 7.8813 107.8413 62.3498 69.2182 174.6352 17 L 4.9668 7.5871 122.8568 53.6284 42.4328 176.4527 18 W 5.2640 7.7815 126.4783 58.7545 36.9507 175.1409 19 F 4.3507 9.4310 121.3104 60.6523 39.0087 175.3111 20 G 2.9079 7.0163 108.3106 46.2721 0.0000 174.1485 21 A 3.4359 7.5844 127.1446 53.4674 18.2499 180.2190 22 L 2.7141 9.0168 113.8020 55.5124 44.4091 179.1372 23 A 3.6460 7.8191 122.7902 55.1106 19.9908 179.8375 24 G 3.8564 8.6531 105.9129 48.7825 0.0000 173.6401 25 L 4.2199 8.0390 124.0153 55.0101 40.0589 176.7866 26 L 5.6047 8.1809 135.0000 55.8928 41.8556 175.9228 27 I 3.7581 6.9860 119.2990 64.4432 36.2368 178.1927 28 E 3.9727 8.2814 118.5503 58.3696 29.0278 177.8898 29 I 4.2122 7.4603 117.1351 61.0142 38.1880 175.4189 30 N 5.1117 8.2832 118.4834 53.0771 39.9769 174.9799 31 R 4.6957 7.8812 113.2455 55.8101 32.9433 176.0529 32 F 3.9821 7.9016 117.5610 60.8403 39.0074 175.6726 33 F 4.8412 7.6349 123.2396 55.0449 37.7451 174.6461 34 P 4.5807 0.0000 0.0000 64.7127 31.5040 176.2506 35 D 5.0153 7.9131 115.3939 52.5564 45.5722 174.5985 36 A 4.4642 8.3081 124.3396 53.2187 19.8930 176.7221 37 L 4.1654 9.9829 116.5313 55.7095 40.3621 173.9938 38 I 4.1114 7.0445 122.2400 60.6158 46.1696 174.6779 *39 F 3.7808 8.1028 117.6410 56.6706 37.8824 175.1266 40 P 4.4925 0.0000 0.0000 61.1056 31.9128 174.6907 41 F 4.4524 6.6989 113.4881 54.9743 41.0098 175.0335 42 F 4.5642 8.3192 117.9927 57.9313 39.8797 174.8736 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 M 8.30 4.39 0.00 2.07 2.17 0.00 0.00 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.48 0.00 2 R 7.48 3.89 0.00 1.12 0.66 0.00 2.80 0.00 0.00 2.88 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.20 0.00 3 D 9.50 4.62 0.00 2.61 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 8.56 4.39 0.00 1.66 1.58 0.94 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 5 K 9.36 4.22 0.00 1.81 2.13 0.00 1.89 0.00 0.00 1.74 0.00 0.00 2.81 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.24 1.27 7.81 6 T 7.55 3.00 4.15 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 0.00 0.00 0.00 1.09 0.00 0.00 7 Y 7.79 4.99 0.00 2.89 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 8 L 8.56 4.59 0.00 1.64 1.62 0.92 0.81 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 9 S 8.67 4.14 0.00 3.86 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 V 9.09 3.85 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 0.69 0.00 0.00 0.92 0.00 0.00 11 A 8.16 4.42 1.27 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 0.00 0.00 12 P 0.00 4.37 0.00 2.20 2.20 0.00 3.71 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.01 0.00 13 V 7.30 4.34 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 0.78 0.00 0.00 0.97 0.00 0.00 14 V 7.78 3.99 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 0.99 0.00 0.00 0.95 0.00 0.00 15 S 8.15 4.45 0.00 4.02 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 T 7.88 4.46 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 17 L 7.59 4.97 0.00 1.71 1.75 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 18 W 7.78 5.26 0.00 3.31 3.16 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 19 F 9.43 4.35 0.00 3.00 3.25 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 20 G 7.02 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.58 3.44 1.33 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 0.00 0.00 22 L 9.02 2.71 0.00 1.12 0.63 0.92 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 23 A 7.82 3.65 1.27 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 0.00 0.00 24 G 8.65 3.86 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 0.00 0.00 0.00 25 L 8.04 4.22 0.00 1.66 1.59 0.87 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 26 L 8.18 5.60 0.00 1.66 2.00 0.89 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 27 I 6.99 3.76 2.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.51 0.92 0.00 0.00 28 E 8.28 3.97 0.00 2.01 1.95 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 2.37 2.27 0.00 29 I 7.46 4.21 1.81 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.53 1.03 0.00 0.00 30 N 8.28 5.11 0.00 2.92 2.80 0.00 0.00 6.91 8.50 0.00 0.00 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 R 7.88 4.70 0.00 1.92 1.98 0.00 3.10 0.00 0.00 3.44 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.64 0.00 32 F 7.90 3.98 0.00 2.95 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 33 F 7.63 4.84 0.00 3.47 3.16 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 34 P 0.00 4.58 0.00 2.07 2.16 0.00 3.69 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.31 0.00 35 D 7.91 5.02 0.00 2.64 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 8.31 4.46 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 9.98 4.17 0.00 1.65 2.12 0.93 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 38 I 7.04 4.11 1.86 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 1.27 0.39 0.91 0.00 0.00 *39 F 8.10 3.78 0.00 2.35 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 40 P 0.00 4.49 0.00 1.68 1.68 0.00 3.34 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.94 0.00 41 F 6.70 4.45 0.00 2.93 2.73 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 42 F 8.32 4.56 0.00 3.09 2.95 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 * Residues marked with a * may have inaccurate shift predictions.