NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 L 4.1547 8.0427 122.4909 55.1219 43.9342 178.5261 17 N 4.3351 8.3859 115.9305 53.0468 38.8992 172.0683 18 T 4.4317 7.1678 115.0075 60.6962 70.0966 171.8333 19 P 4.5237 0.0000 0.0000 62.2533 32.2984 175.9857 20 V 4.3976 7.9724 118.3744 59.8827 33.4365 175.5743 21 V 4.0812 8.1473 115.9177 60.3085 32.6692 175.4930 22 I 4.4923 8.1045 124.4341 59.6632 39.5444 174.6521 23 H 4.8985 8.5687 121.2938 53.5791 31.6792 173.2650 24 A 4.2212 8.6657 127.3776 52.3004 18.8589 177.2347 25 T 4.4778 8.3825 111.1130 61.7852 70.2546 174.1383 26 Q 4.5558 7.4283 119.2851 54.3415 32.9370 173.5439 27 L 4.2947 8.1681 121.4387 53.4830 43.0068 174.7866 28 P 4.2035 0.0000 0.0000 63.1944 31.7935 175.3193 29 Q 4.5944 8.2726 122.2626 54.2549 31.3228 174.6045 30 H 4.3166 8.8380 122.6637 55.6414 29.5118 175.0751 31 V 4.3236 8.0096 117.6072 59.3913 33.3952 176.1735 32 S 4.4146 8.4570 117.6348 58.0924 63.6571 175.3323 33 T 3.9951 8.5357 115.6350 64.8944 67.5898 175.0601 34 D 4.6098 7.7751 119.5037 55.5464 42.0779 177.9249 35 E 4.1996 8.5490 119.5070 59.3751 29.7442 178.6964 36 V 3.6506 7.7935 118.7103 65.0726 31.3300 177.9236 37 L 3.8819 7.7446 120.9449 57.6219 41.8888 178.5029 38 Q 4.1846 7.7120 118.2277 58.1782 29.0762 177.5581 39 F 4.1582 8.6791 122.3847 61.3298 39.5076 177.0388 40 L 3.5241 8.0070 118.6182 57.4627 41.3912 179.0029 41 E 3.8176 7.6497 117.9467 59.6124 29.4782 179.0404 42 S 4.0798 7.9318 112.8626 61.0955 62.3846 175.7997 43 F 4.0715 8.2773 123.9571 60.8093 38.9956 177.5602 44 I 3.3978 8.1595 119.7935 64.4427 36.7771 177.7613 45 D 4.2541 7.6125 117.2824 57.3196 40.6910 177.8850 46 E 3.9725 7.7456 119.7920 59.1622 29.5648 178.6756 47 K 3.9561 7.3992 115.9026 57.8477 32.3283 177.3512 48 E 4.2141 7.9950 118.7008 56.3186 30.1405 175.7629 49 N 4.3302 7.3205 116.1848 53.5671 39.4051 174.3835 50 I 3.7681 8.0251 125.2481 62.4811 37.5940 175.0471 51 I 3.1379 8.1831 118.1330 62.7706 33.4032 173.9503 52 D 4.2865 7.6845 120.2085 53.6329 42.3252 174.1968 *78 I 3.9437 8.1992 118.8437 60.5546 38.3470 174.4236 79 D 4.1257 8.6013 130.6124 52.6142 39.1970 176.8942 80 T 3.5905 9.3482 111.3665 65.5762 66.0955 170.8306 81 N 4.1827 7.9062 115.0858 53.9336 38.6237 174.9889 82 L 4.1936 7.8448 119.0513 57.2700 42.1399 178.7533 83 S 4.1959 8.0570 114.5006 61.4413 62.8108 176.3694 84 S 4.2484 7.9610 117.1221 60.8034 63.1923 176.4378 85 S 4.1180 7.6794 118.0191 61.4926 62.5466 176.5626 86 I 3.7095 8.2811 122.6714 64.6312 36.6651 178.1151 87 S 4.0627 7.5715 111.9388 61.6295 62.2861 175.9617 88 Q 4.0935 8.0598 121.8425 59.3540 28.9295 177.9680 89 L 4.0638 8.0935 119.9735 58.1137 41.8042 179.8709 90 K 4.1331 8.4691 118.4284 59.4554 31.7768 179.6008 91 R 4.0513 8.4099 118.9604 59.0092 29.9410 179.1363 92 I 3.9098 7.5899 119.4400 64.3864 37.2209 177.9404 93 Q 4.0037 8.7545 120.8076 59.1188 28.5939 178.4160 94 R 3.9014 7.7729 118.6553 59.2647 30.4617 177.5639 95 D 4.5190 7.9705 117.9408 57.6521 41.2663 178.3343 96 F 4.0044 8.6045 118.0912 60.5250 38.7567 177.7267 97 K 4.2595 8.4919 116.9200 58.5198 31.8722 178.4578 98 G 3.9381 7.7697 104.3817 44.3218 0.0000 174.2176 99 L 4.0632 6.9759 120.7641 53.8883 42.1556 174.9755 100 P 4.3985 0.0000 0.0000 62.6543 32.0417 174.7356 101 P 4.3953 0.0000 0.0000 61.6802 30.5706 175.8129 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 16 L 8.04 4.15 0.00 1.74 1.72 0.92 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 17 N 8.39 4.34 0.00 2.99 2.98 0.00 0.00 6.79 6.82 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 18 T 7.17 4.43 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 19 P 0.00 4.52 0.00 2.17 2.04 0.00 3.72 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 20 V 7.97 4.40 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 0.77 0.00 0.00 0.93 0.00 0.00 21 V 8.15 4.08 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 0.72 0.00 0.00 0.93 0.00 0.00 22 I 8.10 4.49 1.83 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 1.39 0.58 0.89 0.00 0.00 23 H 8.57 4.90 0.00 3.09 3.16 0.00 5.72 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 24 A 8.67 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 25 T 8.38 4.48 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 1.22 0.00 0.00 26 Q 7.43 4.56 0.00 1.99 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.96 0.00 0.00 0.00 0.00 0.00 2.25 2.28 0.00 27 L 8.17 4.29 0.00 1.60 1.55 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 28 P 0.00 4.20 0.00 2.05 1.94 0.00 3.65 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 29 Q 8.27 4.59 0.00 1.92 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.93 0.00 0.00 0.00 0.00 0.00 2.20 2.39 0.00 30 H 8.84 4.32 0.00 3.18 3.24 0.00 5.74 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 V 8.01 4.32 2.04 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 0.66 0.00 0.00 0.83 0.00 0.00 32 S 8.46 4.41 0.00 4.07 4.02 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 33 T 8.54 4.00 4.37 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 34 D 7.78 4.61 0.00 2.90 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 E 8.55 4.20 0.00 2.17 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 2.33 0.00 36 V 7.79 3.65 1.98 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 0.75 0.00 0.00 0.50 0.00 0.00 37 L 7.74 3.88 0.00 2.06 1.75 1.01 0.75 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 38 Q 7.71 4.18 0.00 2.29 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 39 F 8.68 4.16 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 40 L 8.01 3.52 0.00 1.64 1.61 0.75 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 41 E 7.65 3.82 0.00 2.27 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.35 0.00 42 S 7.93 4.08 0.00 3.95 3.95 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 43 F 8.28 4.07 0.00 2.42 2.40 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 44 I 8.16 3.40 1.88 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 1.40 0.60 0.84 0.00 0.00 45 D 7.61 4.25 0.00 2.63 2.76 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 46 E 7.75 3.97 0.00 2.08 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 2.20 2.27 0.00 47 K 7.40 3.96 0.00 1.34 1.53 0.00 1.57 0.00 0.00 1.41 0.00 0.00 2.77 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.69 0.46 7.81 48 E 7.99 4.21 0.00 1.94 1.86 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 2.21 2.17 0.00 49 N 7.32 4.33 0.00 2.94 2.76 0.00 0.00 7.16 7.82 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 50 I 8.03 3.77 1.85 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 1.39 0.90 0.89 0.00 0.00 51 I 8.18 3.14 1.85 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 1.28 0.32 0.89 0.00 0.00 52 D 7.68 4.29 0.00 2.64 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 *78 I 8.20 3.94 1.85 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 1.09 1.61 0.88 0.00 0.00 79 D 8.60 4.13 0.00 2.85 2.65 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 80 T 9.35 3.59 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 81 N 7.91 4.18 0.00 2.89 2.79 0.00 0.00 6.69 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 L 7.84 4.19 0.00 1.83 1.71 0.98 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 83 S 8.06 4.20 0.00 4.07 4.10 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 84 S 7.96 4.25 0.00 4.08 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 0.00 85 S 7.68 4.12 0.00 4.11 4.01 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 0.00 0.00 0.00 86 I 8.28 3.71 2.04 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.84 0.92 0.00 0.00 87 S 7.57 4.06 0.00 3.87 4.14 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 0.00 0.00 0.00 0.00 88 Q 8.06 4.09 0.00 2.34 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.51 0.00 0.00 0.00 0.00 0.00 2.39 2.43 0.00 89 L 8.09 4.06 0.00 1.95 1.77 1.19 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 90 K 8.47 4.13 0.00 1.97 1.87 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.68 7.81 91 R 8.41 4.05 0.00 2.05 2.01 0.00 3.14 0.00 0.00 3.19 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.69 0.00 92 I 7.59 3.91 2.08 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.91 1.00 0.00 0.00 93 Q 8.75 4.00 0.00 2.05 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 94 R 7.77 3.90 0.00 2.04 2.13 0.00 3.35 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 1.67 1.66 0.00 95 D 7.97 4.52 0.00 2.89 2.96 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 96 F 8.60 4.00 0.00 3.29 3.16 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 0.00 97 K 8.49 4.26 0.00 1.93 1.92 0.00 1.72 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.53 1.71 7.81 98 G 7.77 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 L 6.98 4.06 0.00 1.73 1.55 0.26 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 100 P 0.00 4.40 0.00 2.16 2.07 0.00 3.72 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.96 0.00 101 P 0.00 4.40 0.00 2.11 2.08 0.00 3.70 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.13 0.00 * Residues marked with a * may have inaccurate shift predictions.