NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 76P T 4.3152 8.2745 112.9158 60.4927 70.2286 173.4460 77P E 4.5145 8.4304 121.7413 52.6513 32.4444 172.2834 78P H 4.4889 8.6571 120.9824 54.6622 30.4164 173.8833 79P L 4.2855 8.3297 122.3769 54.9448 41.9259 175.7902 80P T 4.6108 8.4626 122.7547 61.6023 70.9188 173.3795 81P L 4.6334 8.5082 125.8092 52.6779 43.3660 176.0404 82P A 4.3074 8.5731 127.5817 51.6664 19.2260 176.2592 83P F 5.0579 7.9029 116.0612 54.8827 41.2600 173.8206 84P K 4.5116 8.6584 122.3926 54.9413 33.6274 175.6129 85P I 4.6686 8.1454 124.8846 59.4475 39.7985 174.8174 86P E 4.6669 8.7455 123.0989 54.6934 31.4811 175.8461 87P R 4.6705 9.2712 123.3114 54.0156 31.9252 175.6044 88P P 4.2771 0.0000 0.0000 66.1163 31.3636 178.1038 89P Y 4.1634 8.1840 117.5820 60.9901 38.5998 177.6305 90P D 4.3290 7.8323 119.0577 57.6054 40.9860 178.9863 91P K 3.8382 7.6763 118.8267 59.6228 31.7105 178.7542 92P V 3.5080 7.5044 118.1358 66.0466 31.0979 178.0678 93P L 3.9340 7.2794 117.8666 57.2516 41.5351 178.9001 94P K 4.2007 7.7444 116.0410 57.9818 32.5044 178.1587 95P T 4.4086 7.7974 114.7095 63.1036 68.9842 174.6680 96P I 4.4009 6.8945 119.7604 59.1834 41.0605 174.6620 97P S 4.3385 8.1855 122.8340 58.4672 63.4857 175.8967 98P K 3.9279 8.5613 121.1266 59.6383 32.1106 179.1460 99P K 3.9254 8.0261 119.2488 59.7821 31.6883 177.9174 100P N 4.3737 8.0755 116.6371 55.1708 37.7540 176.5277 101P L 4.5398 8.8526 126.3617 54.3419 41.9149 182.3881 102P K 3.8301 8.9066 113.6822 57.4827 35.2730 175.1425 103P N 4.2914 8.0790 118.4956 56.9022 38.7162 176.9146 104P Y 4.2223 8.6796 120.8189 60.8434 38.8262 178.1076 105P I 3.5557 7.7779 120.3511 63.8930 37.2801 178.0345 106P K 3.9488 8.7254 120.8856 59.8613 32.0259 178.8452 107P E 4.1546 8.7082 119.1207 59.4034 29.2512 179.5656 108P T 3.9351 7.8970 116.0588 66.7023 68.5013 176.5050 109P F 3.9922 8.5716 122.8900 61.0819 39.1457 176.6812 110P N 4.3837 8.5835 116.5398 56.4451 39.0773 176.2802 111P F 4.3479 9.2909 125.7555 62.1600 39.4555 177.8620 *112P F 3.8713 8.2122 120.2071 61.5152 37.4973 178.9649 113P K 4.0330 7.9178 118.7801 58.8848 31.9642 178.7084 114P S 4.2360 7.4893 114.0561 59.3256 62.9353 175.1294 115P G 3.7602 7.4659 109.0940 46.1700 0.0000 174.1119 116P Y 4.0378 7.6022 121.7657 60.3860 38.8737 176.6893 117P M 4.0540 7.5576 117.7252 55.3257 32.6099 176.7744 118P K 4.0381 8.3898 121.7193 58.6272 32.6847 177.5757 119P Q 4.4340 7.6827 118.7557 53.6112 31.7603 173.9391 120P N 4.3899 8.8290 122.8276 53.2336 37.7549 173.7445 121P Y 4.4863 8.5593 122.5386 57.5314 39.5430 175.1691 122P L 4.5163 7.9675 128.3785 54.5067 43.1316 176.6673 123P G 3.7606 6.2142 112.2902 45.6763 0.0000 174.1583 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 76P T 8.27 4.32 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 77P E 8.43 4.51 0.00 2.02 1.72 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 2.11 1.96 0.00 78P H 8.66 4.49 0.00 3.14 3.30 0.00 5.68 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79P L 8.33 4.29 0.00 1.60 1.60 0.94 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 80P T 8.46 4.61 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 1.25 0.00 0.00 81P L 8.51 4.63 0.00 1.70 1.66 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 82P A 8.57 4.31 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 83P F 7.90 5.06 0.00 3.08 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 84P K 8.66 4.51 0.00 1.78 1.80 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.83 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.35 1.40 7.81 85P I 8.15 4.67 1.91 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.92 0.99 0.00 0.00 86P E 8.75 4.67 0.00 1.94 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 2.22 2.31 0.00 87P R 9.27 4.67 0.00 2.00 1.91 0.00 3.19 0.00 0.00 3.20 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 88P P 0.00 4.28 0.00 2.22 2.16 0.00 3.68 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.20 0.00 89P Y 8.18 4.16 0.00 3.06 3.02 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 0.00 0.00 0.00 0.00 90P D 7.83 4.33 0.00 2.92 2.73 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 91P K 7.68 3.84 0.00 1.80 1.96 0.00 1.63 0.00 0.00 1.56 0.00 0.00 2.93 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.41 1.59 7.81 92P V 7.50 3.51 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 1.01 0.00 0.00 93P L 7.28 3.93 0.00 1.70 1.61 0.90 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 94P K 7.74 4.20 0.00 1.69 1.83 0.00 1.72 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.39 1.48 7.81 95P T 7.80 4.41 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 1.19 0.00 0.00 96P I 6.89 4.40 1.84 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.68 0.92 0.00 0.00 97P S 8.19 4.34 0.00 4.10 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 98P K 8.56 3.93 0.00 1.75 1.88 0.00 1.80 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.38 7.81 99P K 8.03 3.93 0.00 1.82 1.79 0.00 1.74 0.00 0.00 1.87 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.52 1.53 7.81 100P N 8.08 4.37 0.00 2.87 2.94 0.00 0.00 5.96 7.79 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 101P L 8.85 4.54 0.00 1.98 0.97 0.99 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 102P K 8.91 3.83 0.00 1.94 2.42 0.00 1.82 0.00 0.00 1.84 0.00 0.00 2.90 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.49 1.50 7.81 103P N 8.08 4.29 0.00 3.09 2.94 0.00 0.00 6.83 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104P Y 8.68 4.22 0.00 2.98 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105P I 7.78 3.56 1.91 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.68 0.93 0.00 0.00 106P K 8.73 3.95 0.00 1.98 2.04 0.00 1.56 0.00 0.00 1.66 0.00 0.00 3.05 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.58 7.81 107P E 8.71 4.15 0.00 1.98 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.53 0.00 108P T 7.90 3.94 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 1.14 0.00 0.00 109P F 8.57 3.99 0.00 3.24 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110P N 8.58 4.38 0.00 3.06 2.90 0.00 0.00 7.17 6.98 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 111P F 9.29 4.35 0.00 3.08 3.27 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 *112P F 8.21 3.87 0.00 2.32 2.28 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 113P K 7.92 4.03 0.00 1.60 1.93 0.00 1.96 0.00 0.00 1.84 0.00 0.00 3.11 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.43 1.42 7.81 114P S 7.49 4.24 0.00 4.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115P G 7.47 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116P Y 7.60 4.04 0.00 2.71 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 117P M 7.56 4.05 0.00 2.05 1.95 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.75 0.00 118P K 8.39 4.04 0.00 1.69 1.79 0.00 1.64 0.00 0.00 1.56 0.00 0.00 2.80 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.27 1.27 7.81 119P Q 7.68 4.43 0.00 1.93 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.89 0.00 0.00 0.00 0.00 0.00 2.24 2.33 0.00 120P N 8.83 4.39 0.00 2.90 2.82 0.00 0.00 6.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121P Y 8.56 4.49 0.00 2.92 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 122P L 7.97 4.52 0.00 1.48 1.47 0.89 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 123P G 6.21 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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.