NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.8424 8.3501 109.7338 44.9609 0.0000 173.3316 3 A 4.1284 7.9525 121.9316 50.6374 19.2535 175.7671 4 Q 4.4378 9.3062 124.4852 54.3029 31.7115 172.6865 5 V 4.5613 8.2987 126.0970 61.3143 33.4376 174.5305 6 S 4.8825 8.1901 123.3186 56.5242 67.0631 173.2740 7 S 5.1782 8.5111 115.7158 57.5980 64.5175 173.7615 8 Q 4.3770 8.9730 121.5469 55.1156 29.9235 176.4430 9 K 4.0877 8.5210 124.1158 55.2409 31.1814 176.1465 10 V 3.6762 8.1529 126.4349 62.1371 31.5458 175.1121 11 G 3.4832 8.2493 119.0926 47.0189 0.0000 172.9055 12 A 4.3073 8.0572 122.2077 51.2072 20.2827 177.1228 13 H 4.9584 8.4420 118.9474 53.8763 31.3496 174.7845 14 E 3.8642 8.7903 124.1661 59.0722 29.7168 176.6340 *23 S 4.2405 7.5658 109.9606 57.9035 64.1252 172.2693 24 T 4.1096 8.2565 114.7600 61.8883 67.6991 173.3894 25 I 4.3664 8.3106 129.5227 60.4722 38.8411 174.7766 26 N 5.6684 8.8141 123.6650 51.7597 41.8380 173.0476 27 Y 4.9900 8.8265 117.3857 55.9224 41.9794 174.0995 28 T 5.0589 8.5716 116.1714 62.2132 71.5828 174.0316 29 T 4.6439 8.7365 120.8486 61.9171 72.6845 172.8337 30 I 4.6260 8.1328 126.5174 59.2731 39.8684 175.0389 31 N 4.2361 8.5846 125.0442 53.1622 38.9687 174.7747 32 Y 4.4903 8.0746 119.9954 58.5566 38.7996 174.9821 33 Y 4.9328 7.5028 116.3852 55.6633 41.2954 175.7198 34 R 4.0285 8.7872 122.4085 59.0102 30.6769 176.6317 35 D 4.7493 8.0529 118.8654 52.8508 41.8281 177.4178 36 S 4.2314 8.8028 119.0523 61.0202 63.2404 176.2906 37 A 4.0350 8.0443 123.1487 55.1581 18.1574 178.6509 38 S 4.1819 8.0194 111.0370 60.6909 63.1607 174.8399 39 N 4.4414 7.7779 117.5147 52.8005 38.7040 174.6355 40 A 4.2114 8.2950 123.9067 51.6597 18.8546 176.7969 41 A 4.3628 8.2974 122.5682 51.4614 19.2283 179.1961 42 S 4.1948 8.7732 118.1088 59.3757 63.3688 175.1542 43 K 4.0847 7.2325 113.5738 56.3576 30.1676 176.5233 44 Q 4.2349 7.9350 120.2805 54.4040 27.0776 174.6151 45 D 4.8294 7.5227 120.6779 52.2642 43.7983 175.7803 46 F 4.6621 8.3819 119.5670 56.1953 41.0270 175.7243 47 S 4.8986 8.5251 118.8576 57.1385 64.7907 173.3732 48 Q 4.6653 8.0988 119.0336 54.1099 31.6925 174.1871 49 D 4.5524 8.4490 118.3114 53.4358 41.9682 175.0556 50 P 4.6099 0.0000 0.0000 64.2661 31.5557 178.4370 51 S 4.1922 8.1570 117.6417 61.4122 62.5702 176.6923 52 K 3.7885 7.8066 119.4305 59.0225 32.1445 177.9625 53 F 4.8415 7.9226 118.3125 59.1193 40.4162 177.4499 54 T 4.3077 7.8897 108.5089 63.0410 70.0124 174.5138 55 E 4.7979 8.4257 121.0520 54.9322 30.1243 174.7916 56 P 4.7137 0.0000 0.0000 63.0457 31.6011 176.7737 57 I 4.1147 7.5099 112.2627 60.5505 38.6409 175.9647 58 K 3.9416 8.6829 123.9089 59.4393 32.2372 176.8487 59 D 4.5996 8.0382 119.5220 53.3539 40.8965 176.0508 60 V 3.2946 7.9531 123.1458 62.0698 32.0181 174.9736 61 L 4.2549 8.4482 128.0988 54.8325 41.4886 176.1869 62 I 4.2333 8.1179 125.1409 59.1227 36.9622 176.4496 63 K 4.0155 8.6313 126.1819 59.2573 32.4007 178.0993 64 T 4.1124 7.8089 108.0507 62.6167 69.5095 174.7607 65 A 4.4148 7.7007 125.2895 49.9207 19.7556 175.1725 66 P 4.2488 0.0000 0.0000 63.3920 31.3840 176.6277 67 M 4.1036 8.7719 122.0724 57.2851 32.5094 175.7620 68 L 4.7228 7.7874 118.1184 52.7521 43.9925 175.6897 69 N 4.5324 8.5686 121.2176 53.7707 39.2368 173.6364 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 7.95 4.13 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 9.31 4.44 0.00 2.07 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.69 0.00 0.00 0.00 0.00 0.00 2.20 2.19 0.00 5 V 8.30 4.56 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 0.79 0.00 0.00 0.86 0.00 0.00 6 S 8.19 4.88 0.00 3.27 3.64 0.00 0.00 0.00 0.00 0.00 0.00 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 8.51 5.18 0.00 3.91 3.88 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 0.00 0.00 0.00 8 Q 8.97 4.38 0.00 1.95 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 7.13 0.00 0.00 0.00 0.00 0.00 2.37 2.62 0.00 9 K 8.52 4.09 0.00 1.71 1.74 0.00 1.76 0.00 0.00 1.61 0.00 0.00 2.95 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.42 7.81 10 V 8.15 3.68 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 0.61 0.00 0.00 0.92 0.00 0.00 11 G 8.25 3.48 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 0.00 0.00 0.00 12 A 8.06 4.31 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 13 H 8.44 4.96 0.00 3.10 3.22 0.00 5.70 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 E 8.79 3.86 0.00 1.93 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 2.30 2.30 0.00 *23 S 7.57 4.24 0.00 4.05 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 24 T 8.26 4.11 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 1.27 0.00 0.00 25 I 8.31 4.37 2.00 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 0.51 1.00 0.00 0.00 26 N 8.81 5.67 0.00 2.58 2.80 0.00 0.00 6.84 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 8.83 4.99 0.00 2.96 2.99 0.00 0.00 0.00 0.00 0.00 0.00 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 8.57 5.06 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 29 T 8.74 4.64 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 1.17 0.00 0.00 30 I 8.13 4.63 1.74 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 1.30 0.57 0.85 0.00 0.00 31 N 8.58 4.24 0.00 2.64 2.72 0.00 0.00 7.11 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 8.07 4.49 0.00 2.46 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 7.50 4.93 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 R 8.79 4.03 0.00 1.83 2.02 0.00 3.25 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 35 D 8.05 4.75 0.00 2.75 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 8.80 4.23 0.00 4.01 4.15 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 37 A 8.04 4.03 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 8.02 4.18 0.00 3.97 3.61 0.00 0.00 0.00 0.00 0.00 0.00 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 4.44 0.00 2.80 2.77 0.00 0.00 6.94 6.65 0.00 0.00 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 8.30 4.21 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 8.30 4.36 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 42 S 8.77 4.19 0.00 4.03 4.04 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 0.00 0.00 0.00 43 K 7.23 4.08 0.00 1.93 1.90 0.00 1.65 0.00 0.00 1.54 0.00 0.00 2.96 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.36 1.46 7.81 44 Q 7.94 4.23 0.00 2.02 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.39 6.70 0.00 0.00 0.00 0.00 0.00 2.34 2.51 0.00 45 D 7.52 4.83 0.00 2.59 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.38 4.66 0.00 3.14 3.04 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 0.00 0.00 0.00 47 S 8.53 4.90 0.00 3.91 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 48 Q 8.10 4.67 0.00 2.12 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.96 0.00 0.00 0.00 0.00 0.00 2.29 2.36 0.00 49 D 8.45 4.55 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 4.61 0.00 2.40 2.40 0.00 3.82 0.00 0.00 3.81 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 8.16 4.19 0.00 3.93 3.96 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 52 K 7.81 3.79 0.00 1.46 1.64 0.00 0.94 0.00 0.00 1.16 0.00 0.00 2.90 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.77 0.21 7.81 53 F 7.92 4.84 0.00 3.10 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 7.89 4.31 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 8.43 4.80 0.00 1.96 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 2.22 2.22 0.00 56 P 0.00 4.71 0.00 2.18 2.23 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 2.01 1.98 0.00 57 I 7.51 4.11 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 1.18 0.69 0.91 0.00 0.00 58 K 8.68 3.94 0.00 1.73 1.87 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.45 7.81 59 D 8.04 4.60 0.00 2.70 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 7.95 3.29 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 8.45 4.25 0.00 1.77 1.66 0.95 0.71 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 62 I 8.12 4.23 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 0.78 0.91 0.00 0.00 63 K 8.63 4.02 0.00 1.86 1.96 0.00 1.57 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.44 7.81 64 T 7.81 4.11 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 7.70 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 4.25 0.00 2.34 2.10 0.00 3.77 0.00 0.00 3.58 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 M 8.77 4.10 0.00 1.98 2.14 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 2.58 2.63 0.00 68 L 7.79 4.72 0.00 1.63 1.55 0.92 0.90 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 8.57 4.53 0.00 2.61 2.60 0.00 0.00 7.08 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.