NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 I 4.0737 8.0249 121.4420 60.0229 38.5525 176.0279 13 P 4.1105 0.0000 0.0000 62.6346 32.7382 173.4790 14 E 3.9564 8.6438 122.5451 59.1961 30.0850 179.1953 15 W 4.5456 8.3222 116.2506 59.6101 27.9970 178.2602 16 K 3.2511 6.7310 118.7008 58.7893 31.5939 179.1048 17 Q 3.9446 7.3888 117.6131 58.6756 28.5428 178.4133 18 E 4.0817 8.6809 120.2131 59.1038 29.5266 178.8150 19 E 3.9323 8.2788 119.3926 59.5010 29.8218 178.9932 20 V 3.7616 7.6255 117.8706 65.9075 31.3290 177.8032 21 D 4.2722 7.6040 117.1473 57.2838 40.9558 178.3968 22 A 4.0375 8.2870 121.5220 55.2177 18.1848 179.8752 23 I 3.6236 8.2477 118.6817 64.6823 37.0777 178.8779 24 V 3.5803 7.3965 116.8968 65.6726 31.4335 177.7999 25 E 4.0926 8.1803 118.6243 59.8422 29.5745 179.1307 26 M 4.0784 8.0123 118.4931 58.4367 31.7344 178.9784 27 I 3.8593 7.8775 119.5220 64.0560 37.2571 177.8155 28 E 4.1911 8.1801 119.3335 58.2591 29.4830 178.1492 29 S 4.3971 7.4497 111.7733 58.7322 65.0093 174.8991 *63 R 4.1840 7.2058 119.5921 55.4976 31.3473 176.0371 64 N 4.3846 8.7457 118.8323 56.7745 38.5015 177.8724 65 T 4.0657 7.8553 110.7313 64.6709 68.9329 176.5103 66 L 4.0680 7.7290 121.2622 57.0453 41.7745 179.2126 67 L 3.9510 7.9485 119.1581 58.0040 41.7871 179.0132 68 E 4.0977 8.6163 118.8360 59.7869 29.0934 179.5096 69 R 3.8117 7.5791 117.3441 59.1901 30.3133 177.7216 70 A 4.3632 7.9291 121.5599 54.5148 18.5778 179.2575 71 L 4.1153 8.4858 117.4059 58.0940 41.5935 179.2788 72 D 4.6220 7.6403 114.1616 55.6317 40.6682 176.4086 73 D 4.5523 8.2682 126.4022 54.4040 41.3741 175.7831 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 12 I 8.02 4.07 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.04 0.88 0.00 0.00 13 P 0.00 4.11 0.00 1.78 2.03 0.00 3.43 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.23 0.00 14 E 8.64 3.96 0.00 2.07 2.02 0.00 0.00 0.00 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 2.37 0.00 15 W 8.32 4.55 0.00 3.65 3.37 0.00 0.00 0.00 0.00 0.00 0.00 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 K 6.73 3.25 0.00 1.38 1.36 0.00 1.24 0.00 0.00 1.42 0.00 0.00 2.79 0.00 0.00 3.06 0.00 0.00 0.00 0.00 0.30 0.21 7.81 17 Q 7.39 3.94 0.00 2.23 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.82 0.00 0.00 0.00 0.00 0.00 2.29 2.45 0.00 18 E 8.68 4.08 0.00 2.16 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.49 0.00 19 E 8.28 3.93 0.00 2.33 2.07 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 2.40 2.40 0.00 20 V 7.63 3.76 2.16 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 0.94 0.00 0.00 0.88 0.00 0.00 21 D 7.60 4.27 0.00 3.04 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 22 A 8.29 4.04 1.38 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 0.00 0.00 0.00 0.00 0.00 0.00 23 I 8.25 3.62 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.89 0.92 0.00 0.00 24 V 7.40 3.58 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 0.83 0.00 0.00 0.98 0.00 0.00 25 E 8.18 4.09 0.00 2.24 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 2.33 2.35 0.00 26 M 8.01 4.08 0.00 2.09 2.12 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.59 0.00 27 I 7.88 3.86 1.99 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 1.52 0.68 0.91 0.00 0.00 28 E 8.18 4.19 0.00 2.21 2.00 0.00 0.00 0.00 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 2.31 0.00 29 S 7.45 4.40 0.00 4.12 3.97 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 *63 R 7.21 4.18 0.00 1.98 1.98 0.00 3.29 0.00 0.00 3.44 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.82 0.00 64 N 8.75 4.38 0.00 2.77 2.88 0.00 0.00 6.82 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 T 7.86 4.07 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 66 L 7.73 4.07 0.00 1.86 1.73 0.87 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 67 L 7.95 3.95 0.00 1.82 1.71 0.93 0.67 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 68 E 8.62 4.10 0.00 2.09 2.02 0.00 0.00 0.00 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 2.58 0.00 69 R 7.58 3.81 0.00 2.00 2.08 0.00 3.31 0.00 0.00 3.19 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 70 A 7.93 4.36 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 L 8.49 4.12 0.00 1.81 1.73 0.92 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 72 D 7.64 4.62 0.00 2.86 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 D 8.27 4.55 0.00 2.81 2.50 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 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.