NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 13 A 4.2338 8.2601 123.5826 52.1046 20.2940 176.0393 14 A 4.2854 8.2027 119.9803 49.6846 17.9833 175.0674 15 T 4.5444 7.7558 116.7904 62.8737 76.4400 172.8304 16 A 3.9679 7.7810 125.3023 52.4631 19.0261 173.9424 17 T 3.3520 8.6754 123.7912 63.4782 66.8261 171.0105 18 D 4.8356 8.4715 126.4956 53.1814 42.4303 176.2645 19 R 5.1644 8.5930 121.9034 54.4599 33.3797 175.0586 20 L 4.8571 8.9430 121.8919 53.3814 46.0112 174.8958 21 K 5.0707 8.6608 125.1361 54.5246 35.3462 174.7462 22 L 4.8415 9.0314 128.7458 53.2709 45.0913 174.8785 23 I 4.9739 8.4878 126.0360 59.4344 40.3835 174.8283 24 L 4.7169 8.9503 126.1524 53.1209 44.0086 175.2756 25 A 5.5615 8.7053 125.5572 49.6351 21.8666 175.0863 26 K 4.4480 8.0033 117.8341 55.8480 36.4063 174.1483 27 E 4.3115 8.6165 119.9288 56.2331 29.5951 178.5863 28 R 3.9661 8.3470 125.5882 59.7258 30.5786 177.9281 29 T 3.9505 8.0764 113.4736 66.3686 68.6240 174.3078 30 L 3.9258 7.0081 119.9023 54.8961 44.0203 175.1465 31 N 3.9707 9.0641 123.4548 53.7148 37.3917 175.1372 32 L 3.1165 5.6200 122.6396 54.6167 39.3767 173.1989 33 P 4.2830 0.0000 0.0000 63.3439 31.9858 176.6063 34 Y 4.5997 6.5802 116.0359 56.8317 39.0402 176.9921 35 M 3.9857 7.1776 121.8652 59.0883 31.9432 178.0795 36 E 3.9192 8.1840 117.6218 59.7192 29.7492 178.9358 37 E 3.9225 8.2465 118.4697 59.5941 29.6608 178.4802 38 M 4.0492 8.9377 118.9800 58.3785 32.2684 177.8553 39 R 3.7611 8.5441 119.2765 59.4801 30.1236 178.2251 40 K 3.7176 8.2137 118.2907 59.7726 32.1395 178.9247 41 E 3.9181 8.1115 119.0621 59.1441 29.5438 178.7379 42 I 3.6884 8.2764 120.2551 64.4925 37.1203 178.4378 43 I 3.6590 8.1137 120.6660 64.3191 37.0183 178.0792 44 A 3.9837 8.1592 121.8973 55.4589 18.2250 179.9191 45 V 3.6862 8.0451 116.4914 66.1110 31.5476 178.3033 46 I 3.7868 7.7170 119.5413 64.7181 36.9362 178.3378 47 Q 4.0503 8.3779 118.9560 58.7775 28.2218 179.0765 48 K 3.8115 7.6985 119.6653 59.9538 32.4090 178.2820 49 Y 4.1532 8.0434 115.2389 60.0583 37.9996 177.1013 50 T 4.3752 8.3343 108.9137 60.6334 69.6964 175.1303 51 K 3.8750 8.1485 119.4873 56.9610 30.6422 175.3785 52 S 4.3572 7.6465 112.9979 58.6503 62.6547 174.0639 53 S 4.5190 8.3951 115.7614 57.4567 64.6387 173.2524 54 D 4.8082 7.9194 121.8873 52.9559 41.9286 174.4316 55 I 5.1346 8.2382 125.7277 59.5396 40.6021 174.4037 56 H 5.0807 9.5779 127.3936 54.1752 32.5668 172.4300 57 F 5.5021 8.4131 120.2049 55.2192 40.5145 173.7606 58 K 4.4164 8.9488 122.5237 55.6429 35.7287 175.5016 59 T 4.2897 8.6981 114.4676 64.2950 70.1085 176.1592 60 L 4.4765 7.3117 121.6695 53.7416 44.5208 177.6338 *64 Q 4.3538 7.9556 117.5170 56.5901 28.8231 176.6350 65 S 4.7157 8.5916 120.4657 59.1496 64.3383 173.7312 66 V 4.3763 7.6784 120.3618 61.9552 33.2003 174.6122 67 E 4.6670 8.8195 124.3746 54.8812 32.1254 174.8782 68 T 4.6101 8.4543 120.8538 61.4450 70.1519 173.6763 69 I 3.9475 8.6969 128.6057 61.4922 38.1915 174.8055 70 E 4.9514 9.0669 129.3307 54.6487 31.8676 175.1034 71 V 4.8705 8.7374 125.6780 61.5432 34.9472 173.5445 72 E 4.9281 9.5807 128.8636 55.0990 31.5047 175.3742 73 I 4.9640 8.8384 125.3896 59.5870 40.4068 174.6208 74 I 4.6027 8.1883 128.7436 60.1582 37.6345 176.3200 75 L 4.2875 9.1209 128.2044 53.6393 42.5961 175.7735 76 P 4.4083 0.0000 0.0000 62.9883 31.3046 176.5488 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 13 A 8.26 4.23 1.28 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 0.00 0.00 14 A 8.20 4.29 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.76 4.54 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 16 A 7.78 3.97 1.26 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 0.00 0.00 0.00 17 T 8.68 3.35 4.25 0.00 0.00 0.00 0.00 0.00 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 18 D 8.47 4.84 0.00 2.60 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 8.59 5.16 0.00 1.68 1.83 0.00 3.16 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 1.60 0.00 20 L 8.94 4.86 0.00 1.70 1.45 0.93 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 21 K 8.66 5.07 0.00 1.74 1.62 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.79 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.31 1.47 7.81 22 L 9.03 4.84 0.00 1.76 1.47 0.92 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 23 I 8.49 4.97 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.80 0.91 0.00 0.00 24 L 8.95 4.72 0.00 1.56 1.57 0.93 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 25 A 8.71 5.56 1.20 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 26 K 8.00 4.45 0.00 1.79 1.90 0.00 1.46 0.00 0.00 1.77 0.00 0.00 2.69 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.38 1.44 7.81 27 E 8.62 4.31 0.00 1.90 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.25 0.00 28 R 8.35 3.97 0.00 1.85 1.96 0.00 3.26 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.60 0.00 29 T 8.08 3.95 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 1.20 0.00 0.00 30 L 7.01 3.93 0.00 1.79 1.57 0.91 0.99 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 31 N 9.06 3.97 0.00 2.69 2.49 0.00 0.00 7.05 7.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 L 5.62 3.12 0.00 1.75 0.84 0.86 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 33 P 0.00 4.28 0.00 2.03 2.05 0.00 3.60 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.30 0.00 34 Y 6.58 4.60 0.00 3.19 3.25 0.00 0.00 0.00 0.00 0.00 0.00 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 M 7.18 3.99 0.00 2.11 2.07 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.59 0.00 36 E 8.18 3.92 0.00 1.97 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 0.00 2.39 2.33 0.00 37 E 8.25 3.92 0.00 2.14 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 2.40 2.35 0.00 38 M 8.94 4.05 0.00 2.26 2.41 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.57 0.00 39 R 8.54 3.76 0.00 1.90 2.00 0.00 2.42 0.00 0.00 2.94 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.49 0.00 40 K 8.21 3.72 0.00 1.93 1.83 0.00 1.70 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.37 1.63 7.81 41 E 8.11 3.92 0.00 2.23 1.93 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 2.30 2.34 0.00 42 I 8.28 3.69 2.00 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 1.79 0.81 0.90 0.00 0.00 43 I 8.11 3.66 1.94 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.69 0.93 0.00 0.00 44 A 8.16 3.98 1.39 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 0.00 0.00 0.00 45 V 8.05 3.69 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 1.18 0.00 0.00 1.07 0.00 0.00 46 I 7.72 3.79 2.05 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.66 0.96 0.00 0.00 47 Q 8.38 4.05 0.00 2.26 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.81 0.00 0.00 0.00 0.00 0.00 2.57 2.42 0.00 48 K 7.70 3.81 0.00 1.82 2.03 0.00 1.62 0.00 0.00 1.62 0.00 0.00 3.02 0.00 0.00 3.07 0.00 0.00 0.00 0.00 0.56 1.14 7.81 49 Y 8.04 4.15 0.00 3.02 3.05 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 0.00 0.00 0.00 0.00 50 T 8.33 4.38 4.28 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 1.28 0.00 0.00 51 K 8.15 3.88 0.00 1.90 1.93 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.91 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.39 1.50 7.81 52 S 7.65 4.36 0.00 3.83 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 S 8.40 4.52 0.00 3.96 3.89 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 0.00 0.00 0.00 54 D 7.92 4.81 0.00 2.79 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 55 I 8.24 5.13 1.98 0.00 0.00 0.92 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 0.85 1.12 0.00 0.00 56 H 9.58 5.08 0.00 3.11 3.11 0.00 5.54 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 F 8.41 5.50 0.00 2.97 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 58 K 8.95 4.42 0.00 1.82 1.91 0.00 1.26 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.14 1.34 7.81 59 T 8.70 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 1.23 0.00 0.00 60 L 7.31 4.48 0.00 1.63 1.61 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 *64 Q 7.96 4.35 0.00 2.06 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 7.07 0.00 0.00 0.00 0.00 0.00 2.26 2.30 0.00 65 S 8.59 4.72 0.00 3.87 4.05 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 0.00 0.00 0.00 0.00 66 V 7.68 4.38 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 67 E 8.82 4.67 0.00 2.06 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 2.16 2.24 0.00 68 T 8.45 4.61 4.25 0.00 0.00 0.00 0.00 0.00 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 69 I 8.70 3.95 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.86 0.93 0.00 0.00 70 E 9.07 4.95 0.00 2.06 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.24 0.00 71 V 8.74 4.87 2.12 0.00 0.00 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 0.00 0.00 1.00 0.00 0.00 72 E 9.58 4.93 0.00 1.99 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.33 0.00 73 I 8.84 4.96 1.99 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.91 0.95 0.00 0.00 74 I 8.19 4.60 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.39 0.92 0.00 0.00 75 L 9.12 4.29 0.00 1.57 1.61 0.94 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 76 P 0.00 4.41 0.00 2.05 1.97 0.00 3.72 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 2.18 2.09 0.00 * Residues marked with a * may have inaccurate shift predictions.