NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4125 8.3049 120.3280 54.2936 33.4385 174.5181 2 K 3.5720 8.5454 118.5967 57.2117 32.3768 175.3490 3 R 4.6771 8.2246 123.0488 54.2467 33.1382 176.9257 4 T 3.8607 8.5735 110.4207 63.9955 68.4550 173.5323 5 W 4.8112 7.7119 130.2173 56.0567 30.3686 175.4108 6 Q 4.1356 7.4889 126.1137 51.7673 28.2713 172.5402 7 P 3.2546 0.0000 0.0000 63.0005 31.8335 177.0857 8 N 4.5222 8.2298 118.9585 51.5778 41.5196 174.8287 9 R 3.9536 8.7047 128.1128 59.4831 30.2938 178.6040 10 R 3.8592 7.9855 117.6178 59.4004 30.0151 177.8497 11 K 3.7738 8.0066 118.6800 59.8128 32.1010 178.2421 12 R 3.9550 8.1270 118.4195 59.6098 29.8801 178.1009 13 A 4.1091 7.8845 119.6652 54.7414 18.6625 179.3835 14 K 3.8694 8.5417 117.2521 59.3362 32.1514 178.4494 15 T 4.2930 7.8645 114.8974 65.3304 69.1436 176.0548 16 H 4.9054 7.8664 115.1699 55.3261 29.4873 174.9388 17 G 3.9333 8.0043 110.0010 45.2350 0.0000 175.4967 18 F 4.1682 8.7897 121.4549 60.8460 39.3235 177.2177 19 R 3.9446 8.3425 117.0232 59.2797 29.2506 178.6836 20 A 3.9909 7.9641 119.8917 55.2240 18.0773 179.6810 21 R 3.9297 7.6874 116.2755 59.7640 29.9230 179.1319 22 M 3.9486 7.4975 117.0395 58.4310 31.9077 178.7932 23 R 4.0446 7.4925 117.5886 58.0179 30.7354 177.0893 24 T 4.3094 6.9871 114.7910 60.0688 68.2095 173.5080 25 P 4.5380 0.0000 0.0000 65.9665 30.6912 178.9160 26 G 3.6492 7.7118 105.2094 47.7177 0.0000 175.8613 27 G 3.7885 7.8041 109.2362 46.7340 0.0000 175.8154 28 R 3.8679 8.5250 120.7558 59.0951 30.1648 178.7843 29 K 4.0983 7.7596 118.5605 58.3082 32.0818 179.1017 30 V 3.5509 7.6230 118.9712 66.4238 31.5696 177.7760 31 L 4.0189 7.8619 118.2147 57.6027 41.4565 179.0415 32 K 3.8568 8.1583 119.5184 59.7621 32.1161 178.7685 33 R 3.9286 8.0621 117.8401 59.4564 30.0693 179.0600 34 R 3.8982 8.3164 117.9020 59.4455 29.9071 178.9431 35 R 3.9635 7.8986 116.5327 60.1754 30.2688 178.0811 36 Q 3.8820 7.9248 116.6592 59.4338 28.8953 178.2089 37 K 4.0277 8.5326 121.9267 60.5801 32.5679 176.5455 38 G 3.4862 8.0690 109.4110 44.6779 0.0000 173.4398 39 R 3.8685 7.6725 119.5078 56.3310 30.5711 176.5858 40 W 4.5922 8.7913 121.3921 58.2493 29.6762 176.5424 41 R 4.7016 7.9558 117.7364 54.4394 31.9051 174.7343 42 L 4.3998 8.8010 124.6871 56.5301 42.4429 177.0266 43 T 4.6335 7.5348 114.1010 60.7011 70.4980 172.0732 44 P 4.3806 0.0000 0.0000 62.6744 31.5716 176.3892 45 A 4.2211 8.4662 126.8091 52.3294 19.0398 176.2248 46 V 4.4621 7.8220 119.2575 62.3123 34.4360 172.5486 47 R 4.7009 8.1963 118.1387 54.5689 32.1845 174.1152 48 K 4.4256 8.3855 120.3576 55.2315 35.1665 177.3611 *49 R 4.1415 8.3189 116.9534 56.7116 30.0213 173.9941 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 8.30 4.41 0.00 2.01 2.11 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.64 0.00 2 K 8.55 3.57 0.00 1.80 1.79 0.00 1.61 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.44 1.57 7.81 3 R 8.22 4.68 0.00 1.88 1.89 0.00 3.35 0.00 0.00 3.41 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.58 0.00 4 T 8.57 3.86 4.31 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 1.26 0.00 0.00 5 W 7.71 4.81 0.00 3.38 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 Q 7.49 4.14 0.00 1.79 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.54 0.00 0.00 0.00 0.00 0.00 2.25 2.14 0.00 7 P 0.00 3.25 0.00 2.11 2.13 0.00 3.39 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.94 0.00 8 N 8.23 4.52 0.00 2.64 2.55 0.00 0.00 7.20 7.65 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 9 R 8.70 3.95 0.00 1.90 2.00 0.00 3.21 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.73 0.00 10 R 7.99 3.86 0.00 1.87 1.92 0.00 3.20 0.00 0.00 3.26 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.70 0.00 11 K 8.01 3.77 0.00 2.00 1.99 0.00 1.58 0.00 0.00 1.55 0.00 0.00 2.99 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.51 7.81 12 R 8.13 3.96 0.00 2.18 2.21 0.00 3.49 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.89 0.00 13 A 7.88 4.11 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 K 8.54 3.87 0.00 1.94 1.86 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.13 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.54 7.81 15 T 7.86 4.29 4.27 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 0.82 0.00 0.00 16 H 7.87 4.91 0.00 3.17 3.29 0.00 5.66 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 G 8.00 3.93 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 0.00 0.00 0.00 18 F 8.79 4.17 0.00 3.16 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 19 R 8.34 3.94 0.00 1.95 2.02 0.00 3.25 0.00 0.00 3.40 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.86 0.00 20 A 7.96 3.99 1.35 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 0.00 0.00 21 R 7.69 3.93 0.00 1.74 2.01 0.00 3.29 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.78 0.00 22 M 7.50 3.95 0.00 1.86 2.10 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 1.88 0.00 23 R 7.49 4.04 0.00 1.71 1.97 0.00 3.14 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.84 0.00 24 T 6.99 4.31 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 1.32 0.00 0.00 25 P 0.00 4.54 0.00 2.29 2.30 0.00 3.73 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 2.07 2.04 0.00 26 G 7.71 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 G 7.80 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.52 3.87 0.00 1.98 1.96 0.00 3.10 0.00 0.00 3.06 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.82 0.00 29 K 7.76 4.10 0.00 1.87 1.92 0.00 1.63 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.44 7.81 30 V 7.62 3.55 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.93 0.00 0.00 31 L 7.86 4.02 0.00 1.83 1.75 0.60 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 32 K 8.16 3.86 0.00 1.94 1.94 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.50 7.81 33 R 8.06 3.93 0.00 2.08 1.98 0.00 3.19 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.83 0.00 34 R 8.32 3.90 0.00 1.98 2.03 0.00 3.23 0.00 0.00 3.26 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.87 0.00 35 R 7.90 3.96 0.00 2.10 2.06 0.00 3.23 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.73 0.00 36 Q 7.92 3.88 0.00 2.32 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.83 0.00 0.00 0.00 0.00 0.00 2.40 2.55 0.00 37 K 8.53 4.03 0.00 1.75 2.03 0.00 1.84 0.00 0.00 1.69 0.00 0.00 3.07 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.50 7.81 38 G 8.07 3.49 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 0.00 0.00 0.00 39 R 7.67 3.87 0.00 1.87 2.16 0.00 3.35 0.00 0.00 3.19 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 40 W 8.79 4.59 0.00 3.23 3.24 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 41 R 7.96 4.70 0.00 1.80 1.82 0.00 3.28 0.00 0.00 3.28 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.67 0.00 42 L 8.80 4.40 0.00 1.81 1.81 1.06 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 43 T 7.53 4.63 4.39 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 44 P 0.00 4.38 0.00 2.10 2.02 0.00 3.93 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.07 0.00 45 A 8.47 4.22 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 46 V 7.82 4.46 2.14 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 0.82 0.00 0.00 1.01 0.00 0.00 47 R 8.20 4.70 0.00 1.89 1.84 0.00 3.11 0.00 0.00 3.24 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.72 0.00 48 K 8.39 4.43 0.00 1.74 1.77 0.00 1.81 0.00 0.00 1.77 0.00 0.00 2.85 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.35 1.35 7.81 *49 R 8.32 4.14 0.00 1.57 1.74 0.00 3.23 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.69 0.00 * Residues marked with a * may have inaccurate shift predictions.