NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 15 S 4.5625 8.3231 115.4156 57.9812 66.7109 173.7368 16 G 3.7581 8.1579 110.8198 45.2800 0.0000 175.0069 17 N 4.7802 8.9319 118.6177 51.7195 38.5260 170.9805 18 T 4.8006 7.5651 109.2167 59.8276 72.2600 175.4735 19 G 4.2207 8.3115 112.2868 45.1592 0.0000 172.8255 20 S 4.4208 8.2172 115.9106 57.8289 63.6029 174.6309 21 I 4.1706 8.2991 116.9183 61.1106 38.4441 175.5691 22 I 4.4915 7.3638 114.3363 58.3559 39.6121 175.0575 23 N 4.4025 8.5575 119.3839 52.8922 37.5182 174.2450 24 N 4.5028 8.5197 118.5722 53.6307 39.6799 174.5179 25 Y 3.9788 8.7442 126.0850 60.1795 39.1242 175.8077 26 Y 4.5740 7.6368 115.9609 56.4298 39.8794 175.9382 27 M 4.3131 8.3209 121.5134 55.4653 34.1750 177.7452 28 Q 4.0650 8.6915 122.1692 59.2210 29.1393 178.2299 29 Q 4.0545 8.3079 119.2872 58.3034 29.0649 176.6642 30 Y 4.1717 7.7210 115.6239 60.0027 39.4079 177.2411 31 Q 4.2021 8.2911 118.9970 57.7297 29.3671 175.4482 32 N 5.1324 7.6173 114.9864 50.7659 42.8034 174.1748 33 S 4.2908 8.4126 114.1214 58.6432 63.8065 173.4982 34 M 4.4473 8.2651 121.4608 54.2946 33.1610 175.6300 35 D 4.8763 8.4328 122.7452 53.1364 42.7059 175.8886 36 T 4.7223 8.1581 111.2233 59.9409 71.7589 173.1121 37 Q 4.7182 8.3832 120.6108 54.0490 31.5118 174.8689 38 L 4.7115 8.2656 120.9887 53.8662 44.9524 175.1929 39 G 3.9048 8.9015 113.7655 44.7580 0.0000 174.3802 *40 D 4.4810 8.4271 118.3056 52.7874 42.4441 174.2167 *65 N 4.7815 7.8404 117.4343 56.1757 41.5708 175.2532 66 D 4.0192 8.4488 113.3760 53.6593 44.1809 177.3725 67 W 4.0663 9.4381 130.6002 60.6996 31.0956 175.7843 68 F 3.8809 8.3447 116.7385 59.6516 38.1890 177.6976 69 S 4.0586 8.0204 113.1396 61.2640 62.1758 176.1147 70 K 3.8128 7.7140 121.0226 59.2555 31.5445 178.8701 71 L 3.4897 7.2755 119.2578 58.0870 42.0557 178.6966 72 A 4.1105 8.0370 120.5447 55.2585 18.1189 179.6784 73 S 4.0828 8.2503 113.2657 61.6941 63.0401 176.7894 74 S 4.1850 8.0690 114.9436 59.0209 62.9719 174.5913 75 A 4.0031 7.0584 126.4889 52.2932 18.5972 176.9173 76 F 4.5190 8.8848 125.0689 58.5209 39.6534 175.1004 77 S 4.6327 8.8106 123.2016 58.3306 64.6354 176.7426 78 G 4.1739 7.7165 114.4999 45.0053 0.0000 173.0192 79 L 4.6953 8.3885 124.6292 53.3636 45.1829 175.9657 80 F 5.0091 8.8774 125.4320 58.4376 41.3850 178.4455 81 G 4.0977 8.1167 110.4525 45.4155 0.0000 172.2656 82 A 4.7475 8.4947 125.0348 50.0960 21.8333 175.0469 83 L 4.5437 8.4424 123.2816 53.1489 43.5473 175.2609 84 L 4.4450 8.4294 127.4183 53.9335 43.7240 175.7164 85 A 4.0665 8.6746 127.6339 52.8045 18.5735 176.7377 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 15 S 8.32 4.56 0.00 4.01 4.08 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 0.00 0.00 0.00 0.00 16 G 8.16 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 N 8.93 4.78 0.00 2.69 2.76 0.00 0.00 6.61 7.70 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 18 T 7.57 4.80 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 19 G 8.31 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 0.00 0.00 0.00 0.00 20 S 8.22 4.42 0.00 3.90 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 21 I 8.30 4.17 1.88 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 1.48 0.59 0.92 0.00 0.00 22 I 7.36 4.49 1.88 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.58 0.92 0.00 0.00 23 N 8.56 4.40 0.00 2.86 2.89 0.00 0.00 6.03 8.04 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 24 N 8.52 4.50 0.00 2.78 3.06 0.00 0.00 6.97 7.54 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 25 Y 8.74 3.98 0.00 2.78 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 7.64 4.57 0.00 3.23 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 27 M 8.32 4.31 0.00 2.19 2.19 0.00 0.00 0.00 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.60 0.00 28 Q 8.69 4.06 0.00 2.16 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.90 0.00 0.00 0.00 0.00 0.00 2.47 2.45 0.00 29 Q 8.31 4.05 0.00 2.18 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.62 0.00 0.00 0.00 0.00 0.00 2.26 2.45 0.00 30 Y 7.72 4.17 0.00 3.22 3.06 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 31 Q 8.29 4.20 0.00 2.16 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.71 0.00 0.00 0.00 0.00 0.00 2.44 2.49 0.00 32 N 7.62 5.13 0.00 2.70 2.65 0.00 0.00 7.05 6.91 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 33 S 8.41 4.29 0.00 3.96 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 34 M 8.27 4.45 0.00 2.01 2.00 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 2.53 2.45 0.00 35 D 8.43 4.88 0.00 2.66 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.16 4.72 4.24 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 0.00 0.00 1.21 0.00 0.00 37 Q 8.38 4.72 0.00 2.04 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.77 0.00 0.00 0.00 0.00 0.00 2.26 2.25 0.00 38 L 8.27 4.71 0.00 1.53 1.49 0.92 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 39 G 8.90 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.43 4.48 0.00 2.46 2.49 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 0.00 0.00 0.00 0.00 *65 N 7.84 4.78 0.00 2.87 2.81 0.00 0.00 7.08 8.49 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 66 D 8.45 4.02 0.00 2.97 2.48 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 0.00 0.00 0.00 0.00 67 W 9.44 4.07 0.00 3.37 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 F 8.34 3.88 0.00 3.22 3.15 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 0.00 69 S 8.02 4.06 0.00 4.02 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 K 7.71 3.81 0.00 1.59 1.59 0.00 1.67 0.00 0.00 1.53 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.62 7.81 71 L 7.28 3.49 0.00 0.65 1.47 0.49 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 72 A 8.04 4.11 1.41 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 0.00 0.00 73 S 8.25 4.08 0.00 3.91 3.91 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 74 S 8.07 4.19 0.00 3.92 4.05 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 0.00 0.00 0.00 75 A 7.06 4.00 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 76 F 8.88 4.52 0.00 2.86 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 77 S 8.81 4.63 0.00 3.91 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 78 G 7.72 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 L 8.39 4.70 0.00 1.54 1.54 0.92 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 80 F 8.88 5.01 0.00 3.25 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 G 8.12 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 82 A 8.49 4.75 1.24 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 0.00 0.00 0.00 0.00 0.00 83 L 8.44 4.54 0.00 1.61 1.58 0.93 0.93 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 84 L 8.43 4.45 0.00 1.61 1.54 0.93 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 85 A 8.67 4.07 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 * Residues marked with a * may have inaccurate shift predictions.