NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4337 8.2893 120.3261 54.3980 33.7979 174.9060 2 P 4.1881 0.0000 0.0000 66.9157 29.9387 174.8637 3 R 3.5521 7.0554 119.0697 52.5914 31.2357 177.2598 4 L 4.7865 10.5150 122.6164 52.7730 44.3904 175.5470 5 K 4.7344 9.6831 126.4689 54.8414 33.3107 174.8267 6 V 4.5351 8.2549 120.6792 59.2300 34.2725 174.7551 7 K 4.6434 8.9752 126.3179 54.2749 34.7731 175.7691 8 L 4.9636 8.0354 131.0605 52.9200 40.3271 176.9343 9 V 4.2077 7.2856 112.7360 60.3246 32.5873 177.1420 10 K 4.1242 8.1313 119.9281 56.2293 32.7058 173.7034 11 S 3.8477 8.0938 119.7748 56.0763 64.0178 172.3916 12 P 4.1260 0.0000 0.0000 66.1499 31.5817 175.7324 13 I 3.5321 6.8705 128.1848 62.4127 35.4742 175.7199 14 G 4.6414 8.4802 122.0312 46.7640 0.0000 171.4747 15 Y 4.1246 7.7690 118.0934 56.1025 38.4922 173.9518 16 P 4.3813 0.0000 0.0000 62.9607 31.5542 177.6741 17 K 4.1447 8.6267 117.4281 59.9381 31.9243 179.1884 18 D 4.4257 8.2485 118.8609 56.7741 38.7233 178.9030 19 Q 4.0278 8.0077 118.8262 58.8562 28.5158 178.0493 20 K 4.0393 7.9187 117.1933 57.6285 31.7976 177.8748 21 A 4.6500 7.4529 121.0528 51.8116 19.8049 176.9253 22 A 4.4913 8.8852 121.1572 52.7110 20.2735 179.4054 23 L 4.3315 7.6685 115.2624 56.3688 42.8673 178.3712 24 K 4.1227 7.7296 113.8493 57.1208 31.4394 176.1218 25 A 4.5580 7.4635 117.5608 53.9524 21.1083 178.4581 26 L 4.0110 7.6362 113.7031 59.0609 42.1610 178.7815 27 G 3.7206 7.5180 105.9211 46.3813 0.0000 175.4136 28 L 4.6514 7.5647 119.6737 52.6627 43.8427 177.9211 29 R 4.3925 8.3868 130.2377 55.5021 28.5662 181.0047 30 R 3.8108 8.9149 127.4353 56.2973 30.8777 174.8969 31 L 4.2188 8.2180 120.0457 55.2127 42.8830 176.2262 32 Q 3.3896 8.2254 118.1128 56.5914 27.1018 173.5654 33 Q 4.4913 7.6161 120.8191 54.7516 29.7350 174.8144 34 E 4.7925 8.6300 124.8954 55.6740 31.7460 175.7199 35 R 4.6011 9.0165 120.6941 54.9174 33.8707 173.9912 36 V 4.5157 8.4335 119.7468 60.5454 32.5215 175.2333 37 L 4.5139 9.6159 125.4074 53.4838 46.9826 175.4468 38 E 4.3547 8.4400 117.7303 57.2959 29.5308 176.7376 39 D 4.7235 8.1262 114.4211 53.8588 41.3489 176.0790 40 T 4.3337 7.6250 109.2901 60.2455 70.5113 173.4323 41 P 4.1904 0.0000 0.0000 65.7988 31.6565 176.9609 42 A 4.0382 7.9944 121.7136 52.8479 18.2196 179.4896 43 I 3.6006 7.8196 121.6645 63.3783 38.2455 177.5656 44 R 3.9974 8.1212 120.3496 58.9414 30.5523 178.8114 45 G 3.7788 8.2759 106.1877 49.0002 0.0000 174.3528 46 N 4.4646 8.1774 114.6362 54.4760 39.1925 175.3236 47 V 4.1522 7.9705 116.9716 65.0656 32.8003 177.0520 48 E 3.9792 7.9735 117.7644 59.3908 29.1925 179.0382 49 K 4.4053 8.0724 114.3657 57.5761 31.9547 177.6551 50 V 3.9577 7.9612 107.4807 61.5102 35.1050 176.0295 51 A 3.7539 7.9552 124.7753 54.6284 18.2527 178.4292 52 H 4.6219 7.3584 109.3380 56.4416 29.5699 175.6518 53 L 4.7616 8.8134 120.5003 54.1504 43.5579 175.8354 54 V 5.4119 7.5292 116.9346 61.7758 35.1517 174.2961 55 R 4.4645 8.3635 124.3416 54.4694 31.7859 176.1316 56 V 4.2236 8.2754 124.7007 61.9386 33.2450 174.3499 57 E 5.3929 7.8902 127.8798 56.3251 32.0362 176.1340 58 V 4.5522 8.0939 126.6283 60.8154 30.8605 175.0507 59 V 3.9909 7.9373 128.6577 61.6519 33.7757 175.8524 *60 E 4.1603 8.4639 117.2774 56.0883 30.3181 173.3952 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 M 8.29 4.43 0.00 2.02 2.06 0.00 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.54 0.00 2 P 0.00 4.19 0.00 2.25 2.12 0.00 3.78 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.05 0.00 3 R 7.06 3.55 0.00 2.05 2.02 0.00 3.25 0.00 0.00 3.33 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.65 0.00 4 L 10.51 4.79 0.00 1.89 1.54 1.00 0.58 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 5 K 9.68 4.73 0.00 1.58 1.82 0.00 1.78 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.32 1.51 7.81 6 V 8.25 4.54 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 0.58 0.00 0.00 0.91 0.00 0.00 7 K 8.98 4.64 0.00 1.74 1.61 0.00 1.61 0.00 0.00 1.56 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.31 1.33 7.81 8 L 8.04 4.96 0.00 1.78 1.62 1.01 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 9 V 7.29 4.21 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 0.78 0.00 0.00 0.91 0.00 0.00 10 K 8.13 4.12 0.00 1.62 1.61 0.00 1.84 0.00 0.00 1.64 0.00 0.00 3.01 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.30 1.34 7.81 11 S 8.09 3.85 0.00 3.88 3.73 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 0.00 0.00 0.00 0.00 12 P 0.00 4.13 0.00 2.24 2.22 0.00 3.77 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.96 0.00 13 I 6.87 3.53 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 1.36 0.53 0.93 0.00 0.00 14 G 8.48 4.64 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 0.00 0.00 0.00 15 Y 7.77 4.12 0.00 2.93 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 16 P 0.00 4.38 0.00 2.18 2.09 0.00 3.99 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.14 0.00 17 K 8.63 4.14 0.00 1.78 1.86 0.00 1.72 0.00 0.00 1.89 0.00 0.00 3.04 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.54 1.45 7.81 18 D 8.25 4.43 0.00 2.88 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 Q 8.01 4.03 0.00 2.35 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.00 0.00 0.00 0.00 0.00 0.00 2.53 2.54 0.00 20 K 7.92 4.04 0.00 1.81 1.85 0.00 1.65 0.00 0.00 1.68 0.00 0.00 3.07 0.00 0.00 3.40 0.00 0.00 0.00 0.00 1.49 1.68 7.81 21 A 7.45 4.65 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 22 A 8.89 4.49 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 23 L 7.67 4.33 0.00 1.69 1.67 0.86 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 24 K 7.73 4.12 0.00 1.97 1.80 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.38 7.81 25 A 7.46 4.56 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.64 4.01 0.00 1.69 1.73 0.89 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 27 G 7.52 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.56 4.65 0.00 1.59 1.61 0.89 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 29 R 8.39 4.39 0.00 1.74 1.14 0.00 3.20 0.00 0.00 3.22 7.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.59 0.00 30 R 8.91 3.81 0.00 1.78 1.93 0.00 3.19 0.00 0.00 3.14 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 31 L 8.22 4.22 0.00 1.66 1.52 0.91 0.66 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 32 Q 8.23 3.39 0.00 2.25 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.58 0.00 0.00 0.00 0.00 0.00 2.29 2.41 0.00 33 Q 7.62 4.49 0.00 2.09 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.83 0.00 0.00 0.00 0.00 0.00 2.28 2.28 0.00 34 E 8.63 4.79 0.00 2.09 1.91 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 2.23 2.29 0.00 35 R 9.02 4.60 0.00 1.79 1.73 0.00 3.07 0.00 0.00 3.16 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.59 0.00 36 V 8.43 4.52 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 0.75 0.00 0.00 0.92 0.00 0.00 37 L 9.62 4.51 0.00 1.45 1.51 0.91 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 38 E 8.44 4.35 0.00 1.93 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.39 0.00 39 D 8.13 4.72 0.00 2.55 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.62 4.33 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 41 P 0.00 4.19 0.00 2.06 2.20 0.00 3.68 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 2.04 2.13 0.00 42 A 7.99 4.04 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 43 I 7.82 3.60 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 1.41 0.83 0.90 0.00 0.00 44 R 8.12 4.00 0.00 2.06 1.94 0.00 3.15 0.00 0.00 3.17 7.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.58 0.00 45 G 8.28 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.18 4.46 0.00 2.69 2.83 0.00 0.00 6.74 7.71 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 47 V 7.97 4.15 2.26 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 1.07 0.00 0.00 0.98 0.00 0.00 48 E 7.97 3.98 0.00 2.10 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 0.00 2.60 2.33 0.00 49 K 8.07 4.41 0.00 1.73 1.83 0.00 1.82 0.00 0.00 1.73 0.00 0.00 3.09 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.52 1.55 7.81 50 V 7.96 3.96 1.91 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 0.63 0.00 0.00 0.99 0.00 0.00 51 A 7.96 3.75 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 52 H 7.36 4.62 0.00 3.30 3.51 0.00 5.67 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 L 8.81 4.76 0.00 1.20 1.58 0.60 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 54 V 7.53 5.41 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.89 0.00 0.00 55 R 8.36 4.46 0.00 1.76 1.83 0.00 3.17 0.00 0.00 3.25 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.57 0.00 56 V 8.28 4.22 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 0.72 0.00 0.00 0.91 0.00 0.00 57 E 7.89 5.39 0.00 2.21 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.04 0.00 58 V 8.09 4.55 2.08 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 1.00 0.00 0.00 0.93 0.00 0.00 59 V 7.94 3.99 2.08 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 0.79 0.00 0.00 0.93 0.00 0.00 *60 E 8.46 4.16 0.00 1.77 1.75 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 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.