NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.8356 8.3501 109.7328 44.7970 0.0000 173.4331 3 A 4.1496 7.8744 122.2598 50.7499 19.3415 175.4826 4 Q 4.4561 9.2124 124.4136 54.3773 31.6944 172.6955 5 V 4.7161 8.2552 125.7522 61.2522 33.6823 174.5066 6 S 4.7628 8.0574 122.5392 56.4357 67.3774 173.3802 7 S 4.8871 8.5694 117.0048 58.6922 63.4477 174.2412 8 Q 4.5111 9.2756 122.8432 54.8027 30.2811 176.1868 9 K 4.1985 8.4756 123.6898 55.0302 31.5224 176.1820 10 V 3.8010 8.1768 126.8523 62.1909 32.9209 173.9547 11 G 3.3705 8.7446 117.0974 47.3030 0.0000 174.3724 12 A 4.2249 8.6162 120.6509 51.8171 20.1113 177.5711 13 H 4.8918 8.4863 118.5145 53.7124 31.2547 174.2282 14 E 4.2234 8.5143 124.0778 55.9048 30.8141 176.7315 15 N 4.7181 8.4204 121.0815 53.0163 36.3651 173.6069 16 S 4.3798 6.9299 112.6742 59.6045 66.5417 174.8588 *23 S 4.1599 7.5027 116.5267 57.9112 63.4605 173.7289 24 T 3.9209 8.4399 118.7451 62.4467 67.4239 173.1880 25 I 4.5842 8.3536 129.5699 59.7467 39.7265 174.7163 26 N 5.6613 8.8251 123.2990 51.8287 41.6237 173.2263 27 Y 5.0199 8.7547 117.6506 55.8031 41.9902 174.1423 28 T 5.1229 8.6114 116.0578 62.2101 71.7407 173.7796 29 T 4.7706 8.6485 120.4536 61.9398 72.9596 173.0262 30 I 4.7288 7.9859 124.8060 59.5046 40.8625 174.5755 31 N 4.4111 8.5526 123.7820 52.6264 39.4353 174.7264 32 Y 4.5574 8.1678 119.0628 58.0469 38.9885 175.0530 33 Y 4.8710 7.5449 116.6456 55.6478 41.3655 175.6384 34 K 4.1275 8.8186 123.5887 59.2097 32.8630 177.2643 35 D 4.6973 8.0616 119.6091 53.3454 41.7169 177.4919 36 S 4.2835 8.7329 118.3877 60.7539 63.4340 176.1810 37 A 4.0499 7.9793 123.2631 54.9978 18.2036 178.6191 38 S 4.1695 8.0638 111.1282 60.6744 63.1361 174.7865 39 N 4.4798 7.7839 117.3514 52.8837 38.7337 174.7963 40 A 4.3124 8.2588 123.4852 51.4782 19.9636 176.4452 41 A 4.6026 8.1719 121.4717 51.1969 19.9832 177.9805 42 S 4.3350 8.6523 116.0475 58.8198 63.8067 174.9018 43 K 4.3439 7.9098 117.9260 56.5555 29.5640 175.7666 44 Q 4.5941 7.3831 117.5167 53.9318 28.0447 173.7575 45 D 4.8899 7.8386 120.0995 52.1670 43.4940 176.1595 46 Y 4.4252 8.0991 121.9199 56.2553 39.4158 174.1140 47 S 4.8966 8.3040 114.8367 57.0254 65.8424 171.7306 48 Q 4.5360 8.0597 116.7192 55.6160 30.7788 172.4620 49 D 4.6105 8.4716 117.9996 53.1081 41.8327 175.0080 50 P 4.5997 0.0000 0.0000 64.4568 31.5123 178.1409 51 S 4.2962 8.1432 116.6945 61.1213 62.5346 176.6019 52 K 4.0324 7.7665 119.4888 58.9004 32.2457 178.0059 53 F 4.8146 7.7734 118.4439 59.0315 40.3701 176.9199 54 T 4.2702 7.8616 107.7095 63.5338 69.9236 174.5494 55 E 4.8284 8.2775 121.6507 54.6076 30.7425 173.9881 56 P 4.5849 0.0000 0.0000 62.3024 31.7503 176.5855 57 L 4.6239 7.3167 117.0430 53.8489 43.9213 177.5373 58 K 3.9482 8.7146 123.0872 58.9087 32.3419 176.5674 59 D 4.7188 7.8025 119.7206 52.3468 41.0903 175.5958 60 V 3.8958 8.1795 124.6306 62.0060 32.2698 175.5131 61 L 4.6777 8.1386 126.6227 52.8078 44.0230 175.9091 62 I 4.0326 7.9180 120.7147 60.2545 38.6283 177.1751 63 K 4.0963 8.6008 125.8974 59.6552 32.5585 178.0890 64 T 4.0403 7.8344 108.3649 63.1561 69.3680 174.7571 65 A 4.4143 7.5782 125.0756 50.0410 19.6579 175.2074 66 P 4.3152 0.0000 0.0000 62.7280 31.8271 176.8044 67 A 4.0566 8.7090 124.6512 54.1576 18.6234 177.4616 68 L 4.6892 7.8444 115.6597 52.9414 43.5907 176.1549 69 N 4.5940 8.7099 120.3494 52.8683 37.3803 174.2907 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 2 G 8.35 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 A 7.87 4.15 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 9.21 4.46 0.00 2.09 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.70 0.00 0.00 0.00 0.00 0.00 2.20 2.19 0.00 5 V 8.26 4.72 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 0.80 0.00 0.00 0.87 0.00 0.00 6 S 8.06 4.76 0.00 3.34 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 S 8.57 4.89 0.00 3.80 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 Q 9.28 4.51 0.00 1.93 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.97 0.00 0.00 0.00 0.00 0.00 2.31 2.63 0.00 9 K 8.48 4.20 0.00 1.73 1.75 0.00 1.78 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.43 7.81 10 V 8.18 3.80 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 0.56 0.00 0.00 0.92 0.00 0.00 11 G 8.74 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 0.00 0.00 0.00 12 A 8.62 4.22 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 13 H 8.49 4.89 0.00 3.11 3.22 0.00 5.70 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 E 8.51 4.22 0.00 1.94 1.86 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 2.30 2.34 0.00 15 N 8.42 4.72 0.00 2.76 2.78 0.00 0.00 6.81 7.57 0.00 0.00 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 S 6.93 4.38 0.00 3.84 3.75 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.50 4.16 0.00 3.87 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 24 T 8.44 3.92 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 1.22 0.00 0.00 25 I 8.35 4.58 1.90 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 1.37 0.98 1.02 0.00 0.00 26 N 8.83 5.66 0.00 2.59 2.74 0.00 0.00 6.80 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 Y 8.75 5.02 0.00 2.95 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 28 T 8.61 5.12 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 1.19 0.00 0.00 29 T 8.65 4.77 4.19 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 1.20 0.00 0.00 30 I 7.99 4.73 1.57 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.55 0.79 0.00 0.00 31 N 8.55 4.41 0.00 2.63 2.71 0.00 0.00 6.97 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 Y 8.17 4.56 0.00 2.42 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.54 4.87 0.00 2.95 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 K 8.82 4.13 0.00 1.77 1.90 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.49 7.81 35 D 8.06 4.70 0.00 2.77 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 S 8.73 4.28 0.00 4.01 4.14 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.98 4.05 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 S 8.06 4.17 0.00 4.01 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 N 7.78 4.48 0.00 2.84 2.77 0.00 0.00 6.95 6.74 0.00 0.00 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 A 8.26 4.31 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 A 8.17 4.60 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 42 S 8.65 4.34 0.00 4.07 4.16 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 43 K 7.91 4.34 0.00 1.90 1.90 0.00 1.73 0.00 0.00 0.61 0.00 0.00 2.97 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.34 1.40 7.81 44 Q 7.38 4.59 0.00 2.09 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.67 6.59 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 45 D 7.84 4.89 0.00 2.60 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 Y 8.10 4.43 0.00 3.10 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 S 8.30 4.90 0.00 3.99 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 48 Q 8.06 4.54 0.00 2.20 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.93 0.00 0.00 0.00 0.00 0.00 2.31 2.40 0.00 49 D 8.47 4.61 0.00 2.65 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 50 P 0.00 4.60 0.00 2.41 2.39 0.00 3.81 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.10 0.00 51 S 8.14 4.30 0.00 3.98 3.95 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 52 K 7.77 4.03 0.00 1.53 1.66 0.00 0.97 0.00 0.00 1.31 0.00 0.00 2.89 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.69 0.21 7.81 53 F 7.77 4.81 0.00 3.09 3.07 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 54 T 7.86 4.27 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 55 E 8.28 4.83 0.00 1.86 1.88 0.00 0.00 0.00 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 2.24 0.00 56 P 0.00 4.58 0.00 2.16 2.32 0.00 3.76 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.01 0.00 57 L 7.32 4.62 0.00 1.65 1.62 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 58 K 8.71 3.95 0.00 1.71 1.83 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.45 7.81 59 D 7.80 4.72 0.00 2.68 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 60 V 8.18 3.90 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 0.80 0.00 0.00 0.97 0.00 0.00 61 L 8.14 4.68 0.00 1.66 1.56 0.99 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 62 I 7.92 4.03 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 1.47 1.35 0.91 0.00 0.00 63 K 8.60 4.10 0.00 1.90 1.94 0.00 1.62 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.43 7.81 64 T 7.83 4.04 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 65 A 7.58 4.41 1.31 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 0.00 0.00 0.00 66 P 0.00 4.32 0.00 2.37 2.07 0.00 3.77 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 1.99 1.97 0.00 67 A 8.71 4.06 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.84 4.69 0.00 1.61 1.59 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 69 N 8.71 4.59 0.00 2.76 2.74 0.00 0.00 6.14 7.56 0.00 0.00 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.