NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *1 R 4.1905 8.2544 119.0730 52.3263 31.6006 175.4811 2 M 3.5900 8.5869 122.8597 54.9593 31.7419 177.3699 *3 K 3.9194 9.0072 123.8701 60.3895 32.7614 180.5040 4 Q 4.2147 8.0399 118.2576 58.9910 28.7431 178.6651 5 I 3.7835 7.7310 120.3209 63.8732 37.2244 177.4052 6 E 4.3126 8.1506 117.9215 57.4293 29.7225 178.1966 7 D 4.4084 7.7055 119.9276 57.0692 40.8755 178.6944 8 K 4.1665 7.9838 118.6461 59.1845 32.1214 179.0721 9 A 4.0106 8.2039 121.5219 55.1983 18.2245 179.5547 10 E 3.9269 8.0454 115.5351 59.7643 29.6367 179.1542 11 E 4.0290 8.0522 119.2862 58.9803 29.4399 179.5749 12 I 3.6759 7.9052 119.7799 64.3640 37.2185 178.3411 13 L 3.7760 7.9499 119.8181 57.8823 41.5863 179.6476 14 S 4.2952 8.5094 113.4056 61.2522 62.2928 175.9998 15 K 3.9760 8.3640 122.6447 59.5201 31.8275 178.6090 16 L 3.9045 8.2761 119.6031 58.1345 41.5701 179.1584 17 Y 4.2171 7.7416 116.5626 61.3017 37.7222 178.1357 18 H 4.2765 8.3002 118.7923 59.2631 29.8982 177.4486 19 I 3.6097 7.9726 121.6068 64.5769 37.0071 178.0742 20 E 3.9698 8.3919 119.5647 59.7980 29.3091 179.3076 21 N 4.4884 8.2354 116.0473 55.8433 38.7309 177.5322 22 E 3.9336 8.3253 120.2963 59.3707 29.5307 179.1489 23 L 3.9704 8.2770 119.2071 57.7678 41.6564 179.5033 24 A 3.9657 8.0201 120.6439 55.1621 18.2734 179.6029 25 R 3.8479 7.9310 117.1061 59.6418 30.1122 178.8866 26 I 3.7087 7.7334 119.5024 64.1475 36.8984 178.2296 27 K 3.9599 8.1489 121.9421 60.1973 32.0989 179.3105 28 K 4.2209 8.1378 125.2065 60.1279 31.6549 181.0451 29 L 4.4969 8.0263 122.9124 58.4617 40.9108 179.9681 30 L 4.1436 7.3945 121.5572 56.9018 41.9735 178.3820 31 G 3.9369 9.7210 117.5739 45.3756 0.0000 173.8464 *32 E 4.5585 7.9701 109.8962 56.8135 33.8961 179.1546 *33 R 4.3255 8.9408 121.7965 55.7769 29.3610 172.7408 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 8.25 4.19 0.00 1.85 1.71 0.00 3.20 0.00 0.00 3.22 7.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.20 0.00 2 M 8.59 3.59 0.00 2.22 2.40 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.66 0.00 *3 K 9.01 3.92 0.00 1.79 1.85 0.00 1.84 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.46 1.15 7.81 4 Q 8.04 4.21 0.00 2.14 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.88 0.00 0.00 0.00 0.00 0.00 2.45 2.39 0.00 5 I 7.73 3.78 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 1.64 0.59 0.91 0.00 0.00 6 E 8.15 4.31 0.00 2.00 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 2.28 2.48 0.00 7 D 7.71 4.41 0.00 2.95 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 8 K 7.98 4.17 0.00 1.89 1.84 0.00 1.69 0.00 0.00 1.79 0.00 0.00 3.09 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.65 1.59 7.81 9 A 8.20 4.01 1.37 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 0.00 0.00 10 E 8.05 3.93 0.00 2.23 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.36 0.00 11 E 8.05 4.03 0.00 2.21 2.05 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 0.00 2.34 2.69 0.00 12 I 7.91 3.68 2.07 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 0.63 0.87 0.00 0.00 13 L 7.95 3.78 0.00 1.69 1.65 0.94 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.51 4.30 0.00 3.94 4.06 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 0.00 0.00 0.00 0.00 15 K 8.36 3.98 0.00 2.15 1.86 0.00 1.60 0.00 0.00 1.66 0.00 0.00 3.04 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.56 7.81 16 L 8.28 3.90 0.00 1.61 1.49 0.81 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 17 Y 7.74 4.22 0.00 3.15 2.93 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 18 H 8.30 4.28 0.00 3.33 3.53 0.00 5.78 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 I 7.97 3.61 1.96 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 1.50 0.58 0.89 0.00 0.00 20 E 8.39 3.97 0.00 2.24 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 0.00 2.34 2.57 0.00 21 N 8.24 4.49 0.00 2.99 2.88 0.00 0.00 6.98 7.63 0.00 0.00 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 8.33 3.93 0.00 2.08 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 2.25 2.30 0.00 23 L 8.28 3.97 0.00 1.80 1.72 0.91 0.61 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 24 A 8.02 3.97 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.93 3.85 0.00 2.08 2.06 0.00 3.11 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 1.63 1.68 0.00 26 I 7.73 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 1.40 0.50 0.91 0.00 0.00 27 K 8.15 3.96 0.00 1.74 2.04 0.00 1.80 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.46 7.81 28 K 8.14 4.22 0.00 1.91 1.71 0.00 1.88 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.39 1.32 7.81 29 L 8.03 4.50 0.00 1.71 1.63 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 30 L 7.39 4.14 0.00 1.65 1.67 0.92 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 31 G 9.72 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.97 4.56 0.00 1.94 1.68 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 2.00 1.72 0.00 *33 R 8.94 4.33 0.00 2.00 1.84 0.00 3.26 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.18 0.00 * Residues marked with a * may have inaccurate shift predictions.