NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3573 8.2893 120.3483 54.1861 33.3829 174.6127 2 P 4.0836 0.0000 0.0000 61.8025 31.5624 174.1027 3 R 4.6805 9.4425 122.1845 54.6194 33.0834 176.0525 4 L 5.0294 9.0433 119.0565 53.2132 45.1459 176.1682 5 K 4.8488 8.6844 122.0988 55.0386 33.5667 174.7564 6 V 4.5157 8.4950 118.5040 59.7270 34.0409 174.6906 7 K 4.9527 8.5193 124.9943 54.2080 35.2244 174.7943 8 L 4.3068 8.6177 130.1720 55.6674 42.2466 177.2400 9 V 4.1017 8.9695 120.1478 61.0697 34.3301 176.2259 10 K 4.5299 7.7787 120.1696 53.8318 34.2417 175.3702 11 S 4.2320 8.5790 120.8350 57.8431 62.9110 172.2668 12 P 4.4072 0.0000 0.0000 63.8721 31.7379 175.7132 13 I 3.8447 7.2647 120.7432 64.4200 36.8707 175.9257 14 G 3.9605 9.0528 113.3425 45.4115 0.0000 172.5574 15 Y 4.5098 7.8247 117.0174 55.5204 40.1484 174.2646 16 P 4.4299 0.0000 0.0000 62.6828 33.2959 177.6367 17 K 4.0205 8.6767 119.4872 59.8418 31.9870 178.8631 18 D 4.4305 8.2420 118.6861 57.1961 38.6486 178.9707 19 Q 4.0182 7.7935 118.0311 58.1418 28.3717 178.8450 20 K 4.1474 8.4466 119.7180 58.7229 32.0353 179.2213 21 A 4.0104 7.8186 120.7582 54.7769 18.5024 178.9738 22 A 3.9073 8.2763 119.7448 55.6284 18.3926 179.8459 23 L 3.8820 7.5518 115.8388 57.6413 41.4056 179.7022 24 K 3.8621 7.4679 118.2231 59.5637 32.3077 178.0721 25 A 4.1285 8.4163 120.0851 55.6178 18.2826 179.3766 26 L 4.1452 7.9616 116.4254 56.3620 41.6739 178.4487 27 G 4.0381 7.9633 106.0550 45.2328 0.0000 172.7953 28 L 4.6810 7.6069 118.8923 52.8826 42.2403 175.8465 29 R 4.3191 8.7054 122.2586 57.4531 31.5150 176.9291 30 R 4.5940 7.3678 115.4344 54.0860 32.3928 175.7557 31 L 4.0874 8.0300 119.6034 56.2445 42.0974 177.9445 32 Q 4.0090 9.2656 121.9033 55.5604 27.7899 173.8032 33 Q 4.1826 7.6387 120.3931 56.1440 30.0718 174.7355 34 E 4.9970 8.6578 124.4787 54.9731 33.1596 175.8283 35 R 4.5332 8.6539 120.7254 55.1169 34.8940 174.2936 36 V 4.5534 8.4568 124.8510 62.3578 32.5341 174.8243 37 L 4.9742 9.2507 127.3693 52.5200 46.3646 175.6791 38 E 4.3653 8.7086 119.3778 56.4793 30.2559 176.6791 39 D 4.6558 8.4027 118.8543 54.2042 41.4121 176.2153 40 T 4.0136 7.7140 112.6255 61.8042 68.0179 172.7862 41 P 4.2591 0.0000 0.0000 65.6339 31.0752 178.8960 42 A 4.0544 7.6523 118.7437 54.7207 18.4954 179.1783 43 I 3.9724 7.5807 118.3021 63.6705 37.3463 178.6727 44 R 4.1285 8.0050 118.9380 58.9590 30.1625 178.6169 45 G 3.9766 8.0833 105.6590 48.3808 0.0000 175.3979 46 N 4.4191 8.0752 118.2954 55.7463 38.5127 177.5014 47 V 3.7073 7.1961 117.0923 65.2401 31.7997 177.5920 48 E 4.1404 8.5547 119.1702 59.1213 29.2364 178.7642 49 K 4.0545 7.8696 118.7124 58.5606 32.3495 177.7428 50 V 4.0032 7.3117 110.0124 60.7214 32.4281 177.0661 51 A 3.9437 7.7425 125.9889 55.7112 18.0221 180.4518 52 H 4.2930 8.1290 108.5306 57.7349 28.6170 175.4448 53 L 4.6383 8.3595 119.1562 54.1917 43.5658 176.0238 54 V 4.8213 7.7721 118.6904 60.8518 34.7472 174.7070 55 R 4.4883 8.6376 127.0273 54.8101 31.6449 174.6846 56 V 4.6029 8.3317 126.5428 61.3438 33.6842 174.4652 57 E 4.6068 8.5943 126.6214 54.3672 32.9273 174.5233 58 V 4.1347 8.5130 127.2528 62.2694 32.1134 174.7641 59 V 4.4310 8.4734 129.5157 61.7891 36.0438 175.8042 *60 E 4.1603 8.6109 117.8194 56.1115 30.3181 175.2174 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 4.36 0.00 1.99 2.03 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.53 0.00 2 P 0.00 4.08 0.00 2.18 2.11 0.00 3.79 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 2.00 2.02 0.00 3 R 9.44 4.68 0.00 2.05 2.08 0.00 2.73 0.00 0.00 3.16 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.68 0.00 4 L 9.04 5.03 0.00 1.55 1.57 0.91 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 5 K 8.68 4.85 0.00 1.78 1.75 0.00 1.61 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.31 1.39 7.81 6 V 8.49 4.52 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 0.62 0.00 0.00 0.91 0.00 0.00 7 K 8.52 4.95 0.00 1.79 1.72 0.00 1.81 0.00 0.00 1.56 0.00 0.00 2.92 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.30 1.59 7.81 8 L 8.62 4.31 0.00 1.78 1.61 0.94 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 9 V 8.97 4.10 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 0.76 0.00 0.00 0.95 0.00 0.00 10 K 7.78 4.53 0.00 1.67 1.59 0.00 1.84 0.00 0.00 1.69 0.00 0.00 3.19 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.36 1.42 7.81 11 S 8.58 4.23 0.00 3.90 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 12 P 0.00 4.41 0.00 2.29 2.23 0.00 3.78 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.98 0.00 13 I 7.26 3.84 1.93 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.58 0.94 0.00 0.00 14 G 9.05 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 0.00 0.00 0.00 15 Y 7.82 4.51 0.00 3.07 2.95 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 16 P 0.00 4.43 0.00 2.30 2.02 0.00 3.94 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.23 0.00 17 K 8.68 4.02 0.00 1.78 1.88 0.00 1.73 0.00 0.00 1.89 0.00 0.00 3.03 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.55 1.47 7.81 18 D 8.24 4.43 0.00 2.88 2.98 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 0.00 0.00 0.00 19 Q 7.79 4.02 0.00 2.39 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.86 0.00 0.00 0.00 0.00 0.00 2.43 2.48 0.00 20 K 8.45 4.15 0.00 1.97 1.87 0.00 1.69 0.00 0.00 1.69 0.00 0.00 3.12 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.72 7.81 21 A 7.82 4.01 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 8.28 3.91 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 23 L 7.55 3.88 0.00 1.93 1.71 0.86 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 24 K 7.47 3.86 0.00 1.73 2.05 0.00 1.83 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.46 7.81 25 A 8.42 4.13 1.34 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 0.00 0.00 0.00 26 L 7.96 4.15 0.00 1.77 1.72 0.89 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 27 G 7.96 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 0.00 0.00 0.00 28 L 7.61 4.68 0.00 1.62 1.60 0.91 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 29 R 8.71 4.32 0.00 1.78 1.95 0.00 3.18 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 30 R 7.37 4.59 0.00 1.85 1.83 0.00 3.12 0.00 0.00 3.33 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 31 L 8.03 4.09 0.00 1.63 1.59 0.93 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 32 Q 9.27 4.01 0.00 2.15 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.83 0.00 0.00 0.00 0.00 0.00 2.25 2.41 0.00 33 Q 7.64 4.18 0.00 2.11 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.72 0.00 0.00 0.00 0.00 0.00 2.34 2.34 0.00 34 E 8.66 5.00 0.00 1.85 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.41 0.00 35 R 8.65 4.53 0.00 1.71 1.76 0.00 3.10 0.00 0.00 3.14 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.66 0.00 36 V 8.46 4.55 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 0.84 0.00 0.00 0.92 0.00 0.00 37 L 9.25 4.97 0.00 1.53 1.50 0.91 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 38 E 8.71 4.37 0.00 1.85 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.25 0.00 39 D 8.40 4.66 0.00 2.82 2.62 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 40 T 7.71 4.01 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 4.26 0.00 2.19 2.08 0.00 3.65 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.15 0.00 42 A 7.65 4.05 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 43 I 7.58 3.97 1.99 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.40 0.94 0.00 0.00 44 R 8.01 4.13 0.00 1.85 1.96 0.00 3.30 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.87 0.00 45 G 8.08 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 46 N 8.08 4.42 0.00 2.77 2.85 0.00 0.00 6.74 7.68 0.00 0.00 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 7.20 3.71 2.15 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 0.80 0.00 0.00 0.96 0.00 0.00 48 E 8.55 4.14 0.00 2.08 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 2.62 2.45 0.00 49 K 7.87 4.05 0.00 1.93 2.02 0.00 1.76 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.46 1.50 7.81 50 V 7.31 4.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.96 0.00 0.00 51 A 7.74 3.94 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.13 4.29 0.00 3.24 3.47 0.00 5.67 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 L 8.36 4.64 0.00 1.34 1.69 0.54 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 54 V 7.77 4.82 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 0.74 0.00 0.00 0.91 0.00 0.00 55 R 8.64 4.49 0.00 1.91 1.76 0.00 3.12 0.00 0.00 3.08 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.53 0.00 56 V 8.33 4.60 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 0.81 0.00 0.00 0.91 0.00 0.00 57 E 8.59 4.61 0.00 2.04 1.71 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 0.00 2.18 2.21 0.00 58 V 8.51 4.13 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 0.80 0.00 0.00 0.93 0.00 0.00 59 V 8.47 4.43 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 0.87 0.00 0.00 0.93 0.00 0.00 *60 E 8.61 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.