NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3700 8.3049 120.3285 54.6492 33.3578 174.5929 2 K 3.7457 8.3187 120.5979 56.3675 31.6850 174.9950 3 R 4.5385 8.1140 124.5441 54.8413 33.1036 176.0568 4 T 4.0394 8.4213 107.6139 63.5306 69.1903 174.2207 5 W 4.9380 8.1809 132.0518 56.2242 30.7601 175.5372 6 Q 4.2500 7.5336 125.4592 52.5673 28.5715 173.1008 7 P 3.2318 0.0000 0.0000 62.1051 32.4959 175.8352 8 N 4.7753 7.8452 118.8035 51.5688 42.1886 175.4530 9 R 4.0018 8.7260 124.9424 59.1051 30.2922 178.8045 10 R 3.8051 7.9038 118.0267 59.3807 30.1040 177.9157 11 K 3.7367 8.1148 118.7987 59.8081 31.9982 178.2554 12 R 3.9678 7.9986 118.2931 59.4998 30.1385 178.3875 13 A 4.0712 7.9799 120.5347 54.9200 18.3111 179.3197 14 K 3.8449 8.7060 118.2263 59.5691 32.1208 177.7191 15 T 4.3315 7.4133 113.4444 64.8629 69.6184 175.0886 16 H 4.7281 7.9908 115.4066 55.3093 29.2861 175.5173 17 G 4.4183 7.8666 109.5477 44.8776 0.0000 174.4890 18 F 3.9398 8.6680 120.0526 61.2432 39.7447 176.6845 19 R 4.2543 8.4210 116.8890 59.3685 30.0670 178.4844 20 A 3.9726 8.1120 119.7883 55.6305 18.4219 179.6499 21 R 3.8521 8.0092 115.9542 59.4829 29.9495 178.5501 22 M 4.2053 7.8285 116.9295 56.4500 32.0658 177.6351 23 R 4.2117 7.5583 116.6131 56.1000 31.0648 176.0154 24 T 4.6596 7.2029 113.7816 58.4790 71.0264 172.3333 25 P 4.3523 0.0000 0.0000 66.2427 30.9209 178.8156 26 G 3.6853 7.9241 105.4944 47.3870 0.0000 175.6098 27 G 4.2022 7.8788 109.5065 47.0035 0.0000 175.4150 28 R 3.8476 8.3637 121.3847 58.8619 30.1271 178.9990 29 K 3.8023 7.8651 117.9213 59.7807 32.0940 178.8893 30 V 3.5146 7.6591 117.9574 66.3184 31.2573 177.6905 31 L 3.9033 7.7994 117.9486 57.8262 41.4960 179.3086 32 K 3.8102 8.5348 119.5331 59.8835 32.0390 178.8053 33 R 3.9114 8.3176 118.1898 59.3885 30.0366 179.2584 34 R 3.9611 8.4822 118.1143 59.3006 30.0320 179.2357 35 R 3.9089 8.3381 118.0697 59.5251 29.9731 178.9557 36 Q 4.0446 8.2343 118.1580 58.8272 28.9703 178.2378 37 K 4.1635 8.1590 120.8463 60.0307 32.3726 177.4102 38 G 4.2155 7.9065 105.0893 45.2289 0.0000 173.9272 39 R 3.9927 7.8631 118.5912 56.4314 30.6345 177.0765 40 W 4.4921 8.9696 122.0735 59.3717 29.5264 176.8180 41 R 4.5450 7.8278 119.3642 53.7670 28.7705 176.3524 42 L 4.1019 8.2495 122.9240 57.5564 42.1487 178.0424 43 T 4.5266 8.0752 113.0192 61.6890 72.7674 171.2027 44 P 4.0053 0.0000 0.0000 62.1736 30.9950 175.5840 45 A 4.2933 8.5426 127.4964 51.7170 19.0542 176.5440 46 V 4.6522 8.1623 121.8445 61.1341 35.0213 174.5356 47 R 4.8028 8.2453 119.5654 54.7355 32.3153 174.4128 48 K 4.4019 8.2868 119.6720 56.4777 35.3426 176.6051 *49 R 4.1254 8.4928 118.5226 56.6267 30.0213 174.7393 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 4.37 0.00 2.01 2.08 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 8.32 3.75 0.00 1.81 1.80 0.00 1.62 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.58 7.81 3 R 8.11 4.54 0.00 1.85 1.95 0.00 3.39 0.00 0.00 3.30 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.58 0.00 4 T 8.42 4.04 4.34 0.00 0.00 0.00 0.00 0.00 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 8.18 4.94 0.00 3.29 3.10 0.00 0.00 0.00 0.00 0.00 0.00 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 7.53 4.25 0.00 1.82 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.72 0.00 0.00 0.00 0.00 0.00 2.18 2.21 0.00 7 P 0.00 3.23 0.00 1.91 1.96 0.00 3.45 0.00 0.00 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.52 0.00 8 N 7.85 4.78 0.00 2.57 2.42 0.00 0.00 7.17 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 8.73 4.00 0.00 1.90 1.97 0.00 3.19 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.70 0.00 10 R 7.90 3.81 0.00 1.87 1.91 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 1.69 0.00 11 K 8.11 3.74 0.00 1.86 1.90 0.00 1.64 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.57 7.81 12 R 8.00 3.97 0.00 2.20 2.13 0.00 3.50 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.90 0.00 13 A 7.98 4.07 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 14 K 8.71 3.84 0.00 1.89 1.87 0.00 1.68 0.00 0.00 1.71 0.00 0.00 3.12 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.54 7.81 15 T 7.41 4.33 4.29 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 0.79 0.00 0.00 16 H 7.99 4.73 0.00 3.21 3.34 0.00 5.68 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 7.87 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.67 3.94 0.00 3.10 3.08 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 0.00 0.00 0.00 0.00 19 R 8.42 4.25 0.00 1.98 2.07 0.00 3.24 0.00 0.00 3.39 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 8.11 3.97 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 21 R 8.01 3.85 0.00 1.73 1.85 0.00 3.22 0.00 0.00 3.13 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.76 0.00 22 M 7.83 4.21 0.00 2.03 2.17 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.23 0.00 23 R 7.56 4.21 0.00 1.82 1.97 0.00 3.14 0.00 0.00 3.16 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.86 0.00 24 T 7.20 4.66 4.23 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 1.19 0.00 0.00 25 P 0.00 4.35 0.00 2.29 2.31 0.00 3.75 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.05 0.00 26 G 7.92 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.88 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.36 3.85 0.00 1.91 1.97 0.00 3.14 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.87 0.00 29 K 7.87 3.80 0.00 1.98 1.87 0.00 1.70 0.00 0.00 1.56 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.55 1.60 7.81 30 V 7.66 3.51 2.24 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 0.89 0.00 0.00 0.96 0.00 0.00 31 L 7.80 3.90 0.00 1.84 1.66 0.41 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 32 K 8.53 3.81 0.00 1.86 1.94 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.51 7.81 33 R 8.32 3.91 0.00 1.98 1.96 0.00 3.18 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 1.65 1.81 0.00 34 R 8.48 3.96 0.00 1.81 2.01 0.00 3.13 0.00 0.00 3.43 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.78 0.00 35 R 8.34 3.91 0.00 2.02 2.00 0.00 3.17 0.00 0.00 3.14 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.79 0.00 36 Q 8.23 4.04 0.00 2.03 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.97 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 37 K 8.16 4.16 0.00 1.85 2.00 0.00 1.82 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.45 7.81 38 G 7.91 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 0.00 0.00 0.00 0.00 39 R 7.86 3.99 0.00 1.98 1.97 0.00 3.32 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 1.69 1.79 0.00 40 W 8.97 4.49 0.00 3.32 3.22 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 0.00 41 R 7.83 4.54 0.00 1.97 1.94 0.00 3.33 0.00 0.00 3.42 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.81 0.00 42 L 8.25 4.10 0.00 1.75 1.85 1.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 43 T 8.08 4.53 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 44 P 0.00 4.01 0.00 2.13 2.07 0.00 3.85 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.12 0.00 45 A 8.54 4.29 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 46 V 8.16 4.65 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 0.95 0.00 0.00 1.02 0.00 0.00 47 R 8.25 4.80 0.00 1.91 1.84 0.00 3.13 0.00 0.00 3.29 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.63 0.00 48 K 8.29 4.40 0.00 1.84 1.78 0.00 1.64 0.00 0.00 1.77 0.00 0.00 2.84 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.32 1.39 7.81 *49 R 8.49 4.13 0.00 1.60 1.79 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.