NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.8357 8.3501 109.7328 44.7975 0.0000 173.4337 3 A 4.1496 7.8745 122.2568 50.7504 19.3412 175.4838 4 Q 4.4562 9.2129 124.4100 54.3773 31.6947 172.6957 5 V 4.7163 8.2551 125.7510 61.2521 33.6831 174.5065 6 S 4.7626 8.0587 122.5375 56.4370 67.3794 173.3789 7 S 4.8882 8.5695 117.0037 58.6909 63.4484 174.2421 8 Q 4.5111 9.2767 122.8426 54.8031 30.2824 176.1866 9 K 4.1987 8.4750 123.6839 55.0285 31.5224 176.1820 10 V 3.8004 8.1767 126.8519 62.1921 32.9166 173.9573 11 G 3.3709 8.7424 117.0987 47.3024 0.0000 174.3683 12 A 4.2252 8.6137 120.6585 51.8150 20.1119 177.5691 13 H 4.8919 8.4864 118.5117 53.7130 31.2552 174.2269 14 E 4.2237 8.5145 124.0796 55.9043 30.8146 176.7305 15 N 4.7180 8.4203 121.0854 53.0143 36.3661 173.6071 16 S 4.3796 6.9296 112.6754 59.6043 66.5399 174.8592 *23 S 4.1601 7.5028 116.5280 57.9115 63.4609 173.7289 24 T 3.9212 8.4397 118.7453 62.4453 67.4243 173.1884 25 I 4.5843 8.3538 129.5684 59.7463 39.7268 174.7144 26 N 5.6618 8.8255 123.2982 51.8271 41.6259 173.2256 27 Y 5.0202 8.7562 117.6543 55.8022 41.9901 174.1433 28 T 5.1227 8.6114 116.0565 62.2101 71.7425 173.7783 29 T 4.7711 8.6484 120.4518 61.9399 72.9611 173.0266 30 I 4.7291 7.9852 124.7978 59.5058 40.8642 174.5746 31 N 4.4111 8.5528 123.7830 52.6255 39.4361 174.7263 32 Y 4.5570 8.1676 119.0616 58.0470 38.9884 175.0528 33 Y 4.8711 7.5451 116.6468 55.6479 41.3636 175.6392 34 K 4.1274 8.8183 123.5880 59.2101 32.8628 177.2642 35 D 4.6967 8.0621 119.6141 53.3465 41.7147 177.4907 36 S 4.2839 8.7332 118.3931 60.7519 63.4336 176.1814 37 A 4.0503 7.9786 123.2648 54.9981 18.2047 178.6217 38 S 4.1689 8.0639 111.1338 60.6797 63.1351 174.7880 39 N 4.4796 7.7832 117.3487 52.8839 38.7334 174.7971 40 A 4.3124 8.2588 123.4884 51.4775 19.9632 176.4465 41 A 4.6017 8.1720 121.4726 51.2002 19.9807 177.9808 42 S 4.3354 8.6522 116.0408 58.8171 63.8075 174.9026 43 K 4.3449 7.9096 117.9270 56.5542 29.5645 175.7671 44 Q 4.5938 7.3829 117.5176 53.9331 28.0379 173.7568 45 D 4.8900 7.8386 120.0993 52.1672 43.4941 176.1587 46 Y 4.4243 8.0996 121.9200 56.2552 39.4163 174.1169 47 S 4.8972 8.3039 114.8422 57.0266 65.8414 171.7289 48 Q 4.5358 8.0597 116.7170 55.6198 30.7765 172.4581 49 D 4.6111 8.4716 117.9972 53.1077 41.8351 175.0093 50 P 4.6003 0.0000 0.0000 64.4501 31.5138 178.1393 51 S 4.2969 8.1435 116.6993 61.1224 62.5350 176.6016 52 K 4.0338 7.7661 119.4867 58.8993 32.2471 178.0060 53 F 4.8147 7.7756 118.4449 59.0300 40.3681 176.9187 54 T 4.2704 7.8619 107.7076 63.5323 69.9241 174.5491 55 E 4.8285 8.2781 121.6536 54.6074 30.7423 173.9829 56 P 4.5852 0.0000 0.0000 62.3050 31.7554 176.5852 57 L 4.6241 7.3174 117.0425 53.8503 43.9212 177.5366 58 K 3.9482 8.7145 123.0857 58.9085 32.3422 176.5682 59 D 4.7190 7.8031 119.7187 52.3473 41.0944 175.5967 60 V 3.8967 8.1800 124.6329 62.0036 32.2705 175.5129 61 L 4.6771 8.1385 126.6236 52.8089 44.0208 175.9092 62 I 4.0326 7.9179 120.7131 60.2546 38.6281 177.1747 63 K 4.0963 8.6008 125.8969 59.6548 32.5580 178.0880 64 T 4.0403 7.8344 108.3624 63.1535 69.3682 174.7563 65 A 4.4146 7.5789 125.0788 50.0402 19.6591 175.2068 66 P 4.3151 0.0000 0.0000 62.7280 31.8268 176.8040 67 A 4.0566 8.7096 124.6578 54.1580 18.6232 177.4607 68 L 4.6892 7.8443 115.6602 52.9413 43.5896 176.1550 69 N 4.5940 8.7097 120.3496 52.8683 37.3802 174.2904 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 7.58 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 0.60 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 8.61 4.23 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 3.10 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 1.00 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 8.76 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 1.58 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 0.77 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 7.55 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 6.73 0.00 0.00 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 2.08 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 4.42 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 7.78 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 4.59 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 0.92 0.00 0.00 61 L 8.14 4.68 0.00 1.66 1.56 1.01 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 1.26 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 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.