NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 28 S 4.4887 8.1776 116.7949 58.1751 65.2840 175.3167 29 T 3.4072 7.8344 112.2725 63.9316 68.3806 174.5947 30 R 3.9349 8.7119 122.4652 59.1408 30.5152 179.8504 31 R 3.9019 7.7689 117.4503 59.3134 30.2625 178.6192 32 I 3.6691 8.5285 120.4902 64.4576 37.0861 178.2110 33 L 4.0536 8.4640 121.5067 58.0220 41.9473 179.1985 34 G 3.6218 8.0954 105.6898 47.9139 0.0000 175.6653 35 L 4.0190 8.2805 121.7386 57.2944 41.6388 179.4379 36 A 4.0137 8.1443 120.7609 55.2244 18.1375 179.7460 37 I 3.6524 7.7579 118.2719 64.6600 37.1872 178.6026 38 E 3.9774 8.2427 119.4410 59.4131 29.2298 179.3535 39 S 4.1236 8.6173 113.6867 61.2137 62.3966 176.0466 40 Q 3.9286 8.0569 122.4702 59.1946 28.7798 177.7014 41 D 4.3352 7.9290 118.8402 57.1878 41.1801 178.0976 42 A 4.0880 8.0467 121.6944 54.9617 18.2738 179.8469 43 G 3.5494 8.2301 104.4228 47.8998 0.0000 176.0739 44 I 3.7164 7.8590 122.1637 64.1655 36.9442 178.6245 45 K 4.0194 7.9875 118.0629 59.6815 31.8986 179.2295 46 T 4.0174 7.8259 115.0609 66.8173 68.7091 176.3810 47 I 3.9209 8.0058 121.8588 64.5023 37.1045 179.5904 48 T 4.1675 8.2452 115.3927 63.8175 68.1772 176.3277 *50 L 4.2564 7.9211 122.8334 54.9274 43.8349 178.7604 51 D 4.3353 8.2669 117.5628 57.4857 40.8667 178.0751 52 E 3.9756 8.3149 119.6473 59.0827 29.5954 178.5017 53 Q 4.0844 7.8821 119.4027 58.4503 29.1671 177.7199 54 K 3.8901 8.3336 121.3669 59.6183 32.2525 178.4969 55 E 3.9898 7.9112 118.7453 59.5712 29.3973 179.2835 56 Q 3.9446 7.7491 118.0221 59.2042 29.1257 178.3402 57 L 4.0247 7.9331 120.0317 57.7167 41.7127 179.1202 58 N 4.3176 8.5396 116.8947 56.5097 38.5323 177.5713 59 R 4.3290 8.1578 120.8648 58.7174 30.0819 179.2244 60 I 3.6692 7.8166 119.4513 64.3021 37.1971 177.7744 61 E 3.9186 8.5484 120.7305 59.5866 29.3252 178.9162 62 E 4.4646 7.6623 118.5862 58.7377 29.7024 179.1018 63 G 3.6619 8.1467 106.8019 47.6795 0.0000 175.6431 64 L 4.0295 8.2509 121.6513 57.6441 41.6293 178.9331 65 D 5.2676 8.0253 118.4762 55.7092 40.1922 178.0742 66 Q 4.1752 7.8280 119.1849 57.9548 29.4953 178.0356 67 I 3.7730 7.5699 120.6129 64.3801 37.3831 178.0220 68 N 4.4698 8.1851 117.6905 55.8690 36.7022 177.0012 69 K 4.0006 7.7227 120.0502 59.2616 32.2491 180.8830 70 D 4.5268 7.7339 118.2310 54.2962 39.4556 179.2786 *72 R 4.1895 8.2564 119.7884 56.3574 31.7598 177.0212 73 E 4.2543 7.8206 115.9055 58.8691 29.7593 178.7227 74 T 3.9433 8.4274 117.5600 66.8368 68.4132 175.9751 75 E 4.0416 8.1127 118.4667 58.6438 29.4094 178.2763 76 K 4.1920 7.3650 116.1420 59.4935 32.2271 179.2424 77 T 3.9524 8.5931 116.9356 66.3279 68.2772 176.6293 78 L 3.9554 7.9876 121.0200 58.2542 41.4781 179.3678 79 T 3.9240 7.1339 113.0340 66.7066 68.6492 175.4525 80 E 4.5108 7.6861 118.0366 56.8082 30.8705 176.7034 81 L 4.3571 7.9468 124.6718 55.0596 42.7520 176.6903 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 28 S 8.18 4.49 0.00 3.90 3.97 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 29 T 7.83 3.41 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 30 R 8.71 3.93 0.00 1.86 1.96 0.00 3.34 0.00 0.00 3.34 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.66 0.00 31 R 7.77 3.90 0.00 2.05 1.95 0.00 3.20 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 1.72 1.71 0.00 32 I 8.53 3.67 2.01 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 1.41 1.00 0.91 0.00 0.00 33 L 8.46 4.05 0.00 1.79 1.86 0.92 0.95 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 34 G 8.10 3.62 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 0.00 0.00 0.00 35 L 8.28 4.02 0.00 1.82 1.73 0.92 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 36 A 8.14 4.01 1.36 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 0.00 0.00 0.00 0.00 0.00 0.00 37 I 7.76 3.65 2.03 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 1.52 0.84 0.91 0.00 0.00 38 E 8.24 3.98 0.00 2.15 1.99 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 2.33 2.50 0.00 39 S 8.62 4.12 0.00 3.88 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 40 Q 8.06 3.93 0.00 2.19 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.57 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 41 D 7.93 4.34 0.00 2.80 2.79 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 42 A 8.05 4.09 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 43 G 8.23 3.55 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 I 7.86 3.72 2.02 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 1.52 0.72 0.91 0.00 0.00 45 K 7.99 4.02 0.00 1.87 1.88 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.21 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.68 7.81 46 T 7.83 4.02 4.43 0.00 0.00 0.00 0.00 0.00 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 47 I 8.01 3.92 1.99 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 1.52 0.58 0.91 0.00 0.00 48 T 8.25 4.17 4.40 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 1.21 0.00 0.00 *50 L 7.92 4.26 0.00 1.83 1.75 0.92 1.04 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 51 D 8.27 4.34 0.00 2.89 2.80 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 52 E 8.31 3.98 0.00 2.14 1.99 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 2.30 2.31 0.00 53 Q 7.88 4.08 0.00 2.16 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.69 0.00 0.00 0.00 0.00 0.00 2.42 2.41 0.00 54 K 8.33 3.89 0.00 1.98 1.99 0.00 1.59 0.00 0.00 1.65 0.00 0.00 3.02 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.52 7.81 55 E 7.91 3.99 0.00 1.97 1.99 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 2.33 2.47 0.00 56 Q 7.75 3.94 0.00 2.16 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 57 L 7.93 4.02 0.00 1.92 1.70 0.92 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 58 N 8.54 4.32 0.00 2.90 2.87 0.00 0.00 7.02 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 R 8.16 4.33 0.00 1.99 1.98 0.00 3.14 0.00 0.00 3.26 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.77 0.00 60 I 7.82 3.67 2.02 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 1.41 0.79 0.91 0.00 0.00 61 E 8.55 3.92 0.00 1.98 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 0.00 2.31 2.34 0.00 62 E 7.66 4.46 0.00 2.27 2.19 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 2.55 2.20 0.00 63 G 8.15 3.66 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 0.00 0.00 0.00 64 L 8.25 4.03 0.00 1.99 1.73 1.01 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 65 D 8.03 5.27 0.00 2.87 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.83 4.18 0.00 2.28 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 6.82 0.00 0.00 0.00 0.00 0.00 2.32 2.68 0.00 67 I 7.57 3.77 1.99 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 1.69 1.00 0.91 0.00 0.00 68 N 8.19 4.47 0.00 2.93 3.09 0.00 0.00 7.07 6.92 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 69 K 7.72 4.00 0.00 2.07 1.87 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.64 1.62 7.81 70 D 7.73 4.53 0.00 2.98 2.69 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 *72 R 8.26 4.19 0.00 2.19 2.10 0.00 3.22 0.00 0.00 3.39 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.69 0.00 73 E 7.82 4.25 0.00 2.18 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.34 0.00 74 T 8.43 3.94 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 1.21 0.00 0.00 75 E 8.11 4.04 0.00 1.96 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 0.00 2.29 2.40 0.00 76 K 7.36 4.19 0.00 1.95 1.83 0.00 1.72 0.00 0.00 1.65 0.00 0.00 3.08 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.72 7.81 77 T 8.59 3.95 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 1.21 0.00 0.00 78 L 7.99 3.96 0.00 1.86 1.72 0.92 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 79 T 7.13 3.92 4.49 0.00 0.00 0.00 0.00 0.00 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 80 E 7.69 4.51 0.00 2.01 1.96 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 2.32 2.34 0.00 81 L 7.95 4.36 0.00 1.78 1.49 0.92 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.