NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.3521 8.1133 119.7066 56.5311 32.3570 177.4929 2 M 4.0058 7.8355 117.0553 56.8299 31.6211 176.8235 3 K 4.0090 8.8139 120.3883 59.5018 33.1745 177.5465 4 Q 3.9996 8.2343 117.6581 59.7305 28.4926 178.6059 5 I 3.5950 8.2274 119.8546 64.8500 37.3813 178.1402 6 E 3.7990 8.1818 119.8317 59.7091 29.6155 179.1024 7 D 4.5307 8.1167 118.5879 56.2189 40.9432 178.1977 8 K 4.1185 7.8532 119.3894 58.2402 32.5619 178.1811 9 L 3.9597 8.0231 119.7238 58.2239 41.5789 179.5157 10 E 4.0691 7.8702 116.4697 58.9057 29.3580 178.9637 11 E 3.9280 8.3067 119.8116 59.3321 29.7078 178.8060 12 I 3.7093 8.0110 120.0205 64.4222 37.1388 178.4458 13 L 3.9169 8.0184 119.7775 57.7635 41.5279 179.5588 14 S 4.3707 8.3972 115.3828 61.5634 62.7456 176.6300 15 K 4.1335 8.1987 122.1629 59.0485 31.8334 178.9670 16 L 4.0201 7.9040 119.6520 57.6194 41.4398 178.8224 17 Y 4.1819 7.8180 116.8516 61.4709 37.8478 178.1322 18 H 4.2143 8.3650 119.0481 59.4238 29.9269 177.4038 19 I 3.8508 7.8855 121.5756 64.3356 37.1512 177.9318 20 E 3.9830 8.4576 119.7800 59.7835 29.2936 179.4135 21 N 4.4430 8.2567 116.2044 56.2082 38.6507 176.9727 22 E 3.8716 8.3973 120.4039 59.7741 29.6902 179.5841 23 L 4.0589 8.0881 117.9410 57.1373 41.3870 179.2024 24 A 4.1933 7.1544 118.9548 54.3746 19.4281 179.2434 25 R 4.0153 7.9478 116.6128 59.6763 30.1533 179.2608 26 T 3.8745 7.7427 115.2472 66.5101 68.3490 176.2409 27 K 4.2524 8.0573 117.7983 57.9271 33.2111 178.2895 28 K 4.2770 7.8848 120.6003 60.2898 33.2666 178.4220 29 L 3.6781 7.8579 117.5957 57.0494 41.7184 179.1011 30 L 4.1805 8.0949 119.9228 57.7661 41.9991 181.7408 31 G 3.8508 7.7262 107.1819 45.0318 0.0000 173.9350 *32 E 4.1718 8.2614 122.1460 55.7549 30.5318 177.9971 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 R 8.11 4.35 0.00 1.89 2.04 0.00 3.09 0.00 0.00 3.34 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 2 M 7.84 4.01 0.00 2.11 2.11 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.60 0.00 3 K 8.81 4.01 0.00 1.73 1.83 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.11 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.59 7.81 4 Q 8.23 4.00 0.00 2.34 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.60 0.00 0.00 0.00 0.00 0.00 2.46 2.42 0.00 5 I 8.23 3.60 1.94 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 1.41 0.68 0.91 0.00 0.00 6 E 8.18 3.80 0.00 2.03 2.04 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 2.32 2.45 0.00 7 D 8.12 4.53 0.00 2.93 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.85 4.12 0.00 2.18 1.78 0.00 1.63 0.00 0.00 1.82 0.00 0.00 3.01 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.58 7.81 9 L 8.02 3.96 0.00 1.90 1.72 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 10 E 7.87 4.07 0.00 2.05 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 2.47 0.00 11 E 8.31 3.93 0.00 2.26 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.36 0.00 12 I 8.01 3.71 2.01 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 1.51 0.92 0.89 0.00 0.00 13 L 8.02 3.92 0.00 1.84 1.74 0.96 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.40 4.37 0.00 4.07 3.98 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 15 K 8.20 4.13 0.00 2.03 1.80 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.51 7.81 16 L 7.90 4.02 0.00 1.61 1.57 0.82 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 17 Y 7.82 4.18 0.00 3.02 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 H 8.36 4.21 0.00 3.32 3.53 0.00 5.78 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 I 7.89 3.85 1.87 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 1.53 0.85 0.90 0.00 0.00 20 E 8.46 3.98 0.00 2.35 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 2.34 2.48 0.00 21 N 8.26 4.44 0.00 2.93 2.86 0.00 0.00 7.01 7.81 0.00 0.00 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 E 8.40 3.87 0.00 2.04 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 2.18 2.31 0.00 23 L 8.09 4.06 0.00 2.01 1.72 0.91 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 24 A 7.15 4.19 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.95 4.02 0.00 1.88 1.99 0.00 3.14 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.82 0.00 26 T 7.74 3.87 4.39 0.00 0.00 0.00 0.00 0.00 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 27 K 8.06 4.25 0.00 1.91 2.10 0.00 1.59 0.00 0.00 1.76 0.00 0.00 3.09 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.44 7.81 28 K 7.88 4.28 0.00 2.02 2.08 0.00 1.35 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.51 1.54 7.81 29 L 7.86 3.68 0.00 1.97 1.71 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 30 L 8.09 4.18 0.00 1.79 1.75 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 31 G 7.73 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *32 E 8.26 4.17 0.00 1.75 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.