NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *0 K 4.3357 8.3149 122.1409 53.9223 33.1785 179.1167 1 Q 3.9780 9.2442 113.2879 56.7968 29.2442 174.0934 2 R 4.6147 7.9654 120.2426 53.9535 33.5876 175.9596 3 R 4.1489 8.1432 115.5579 55.7556 30.1649 176.8143 4 S 4.1460 8.4119 115.8035 58.4744 63.3924 174.5454 5 R 3.9108 8.4281 124.5979 56.8139 30.3151 176.0972 6 T 3.9539 8.3020 122.3602 63.0835 69.2092 174.0312 7 T 4.3824 8.0153 116.0807 59.7151 70.0243 173.7149 8 F 4.6016 8.5719 125.8876 56.4062 40.1914 176.6395 9 S 4.4810 9.7271 120.7235 57.7548 65.1420 175.4741 10 A 4.0328 8.4124 123.6314 55.2105 17.8017 179.6869 11 S 4.0133 8.0749 111.2317 61.6814 62.2962 176.4413 12 Q 3.9395 7.8641 120.3521 59.0884 28.5974 178.7291 13 L 3.6290 8.2796 120.0851 57.4762 41.4218 179.3671 14 D 4.3329 7.9928 119.2724 57.0700 40.3508 178.2629 15 E 3.8565 7.8172 119.5197 58.9880 29.4715 178.6679 16 L 3.8176 7.3291 118.8290 56.6995 41.4659 178.8150 17 E 4.0904 7.6718 119.1371 59.2935 29.2680 178.8337 18 R 4.4902 8.5702 119.5411 58.5711 30.0818 178.9329 19 A 4.1202 7.7853 119.8119 55.3638 18.3136 179.4576 20 F 4.7705 8.3920 119.2022 61.1423 39.7971 176.8194 21 E 4.0894 8.8115 118.5836 59.1640 28.9749 179.0442 22 R 4.2471 7.5376 117.3931 57.6599 30.3709 176.6107 23 T 4.3288 7.5934 112.9538 61.2850 70.0806 173.7670 24 Q 3.9170 8.5638 127.8698 57.5685 29.2386 176.2574 25 Y 4.7337 7.4275 115.4997 55.0984 38.4434 172.6621 26 P 4.3525 0.0000 0.0000 62.1622 32.6604 177.7726 27 D 4.6408 8.4470 121.1011 52.5732 41.7383 177.0721 28 I 3.6047 8.3561 119.9932 64.8127 37.7903 176.9962 29 Y 3.8951 8.1182 119.3779 60.9101 38.6219 178.0052 30 T 3.9716 8.6871 116.8258 66.9713 68.6605 176.8721 31 R 3.8757 8.2731 120.1502 59.3046 30.0056 178.8945 32 E 4.0060 8.4115 118.3934 58.6384 29.4400 178.8552 33 E 3.7599 7.8565 119.8433 59.0590 29.6374 178.7462 34 L 3.9468 8.0708 118.9144 57.5733 41.6711 179.1848 35 A 3.9757 8.0547 120.7391 55.4465 18.1419 179.5023 36 Q 3.9152 7.7520 116.4204 59.3875 29.1162 178.4021 37 R 4.1223 7.8021 118.7250 58.4515 30.3039 177.9561 38 T 4.2684 8.1012 107.0537 60.3241 69.9572 173.7718 39 N 4.0809 8.1483 118.7286 55.3476 37.2178 171.9969 40 L 4.8709 7.7314 115.9906 52.7019 45.7202 176.8727 41 T 4.4948 7.9734 109.2394 60.8570 71.6101 175.3401 42 E 4.0106 8.6741 122.2146 59.0971 29.6569 179.0898 43 A 4.0459 7.9819 120.7852 55.2550 18.4683 179.6275 44 R 4.0446 8.1612 116.6259 59.3412 30.1432 179.2129 45 I 3.8903 7.8823 119.6753 64.6872 37.3165 178.1800 46 Q 4.1197 8.6010 120.6286 59.2730 28.8691 178.5722 47 V 3.6913 7.9067 118.9234 65.5369 31.5912 177.5954 48 W 4.0419 8.6286 128.3972 60.8211 30.4280 177.9850 49 F 3.8573 8.8547 117.4379 60.4531 38.3203 177.8005 50 Q 4.0115 8.0520 117.4009 59.1718 28.5651 178.5471 51 N 4.2750 8.4226 117.8135 55.7992 38.5572 177.6297 52 R 2.9996 7.5843 120.5964 59.0821 29.8042 178.8565 53 R 3.9609 7.9641 117.9578 59.1424 30.0645 178.7798 54 A 3.9418 7.8403 120.5850 55.2214 18.0438 179.8580 55 R 3.7276 7.4802 115.6718 59.3109 30.2887 178.3144 56 L 4.0920 7.6188 121.3897 59.3476 42.0400 179.7882 57 R 4.1545 8.0651 119.4825 60.8308 29.5417 178.9526 58 K 4.4310 7.8809 123.4424 56.7397 32.3470 176.2734 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 *0 K 8.31 4.34 0.00 1.79 1.06 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.04 7.81 1 Q 9.24 3.98 0.00 2.11 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.79 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 2 R 7.97 4.61 0.00 1.78 1.85 0.00 3.21 0.00 0.00 3.28 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 3 R 8.14 4.15 0.00 1.91 1.93 0.00 3.05 0.00 0.00 3.21 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 4 S 8.41 4.15 0.00 3.85 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 5 R 8.43 3.91 0.00 1.75 1.82 0.00 3.23 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 1.60 1.66 0.00 6 T 8.30 3.95 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.29 0.00 0.00 7 T 8.02 4.38 4.21 0.00 0.00 0.00 0.00 0.00 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 8 F 8.57 4.60 0.00 3.05 2.93 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 0.00 0.00 0.00 9 S 9.73 4.48 0.00 4.02 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 10 A 8.41 4.03 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 11 S 8.07 4.01 0.00 3.89 3.87 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 0.00 0.00 0.00 12 Q 7.86 3.94 0.00 2.41 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.56 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 13 L 8.28 3.63 0.00 1.60 1.65 1.06 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 14 D 7.99 4.33 0.00 2.99 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.82 3.86 0.00 2.01 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.34 0.00 16 L 7.33 3.82 0.00 0.63 0.13 -0.67 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 17 E 7.67 4.09 0.00 2.25 1.95 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 2.36 2.68 0.00 18 R 8.57 4.49 0.00 1.87 2.00 0.00 3.36 0.00 0.00 3.29 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.66 0.00 19 A 7.79 4.12 1.65 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 0.00 0.00 20 F 8.39 4.77 0.00 3.22 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 E 8.81 4.09 0.00 2.29 2.03 0.00 0.00 0.00 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 2.54 0.00 22 R 7.54 4.25 0.00 1.83 2.10 0.00 3.36 0.00 0.00 3.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 23 T 7.59 4.33 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 1.33 0.00 0.00 24 Q 8.56 3.92 0.00 1.99 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 7.05 0.00 0.00 0.00 0.00 0.00 2.36 1.95 0.00 25 Y 7.43 4.73 0.00 2.87 2.85 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 0.00 0.00 0.00 0.00 26 P 0.00 4.35 0.00 1.91 1.80 0.00 3.48 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.44 0.00 27 D 8.45 4.64 0.00 3.00 2.86 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 28 I 8.36 3.60 1.89 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 1.54 1.46 0.96 0.00 0.00 29 Y 8.12 3.90 0.00 3.07 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 T 8.69 3.97 4.59 0.00 0.00 0.00 0.00 0.00 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 31 R 8.27 3.88 0.00 1.91 1.95 0.00 3.05 0.00 0.00 3.02 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.64 0.00 32 E 8.41 4.01 0.00 1.91 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 2.28 2.48 0.00 33 E 7.86 3.76 0.00 1.86 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 2.35 2.38 0.00 34 L 8.07 3.95 0.00 1.90 1.70 1.07 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 35 A 8.05 3.98 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 36 Q 7.75 3.92 0.00 2.09 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.95 0.00 0.00 0.00 0.00 0.00 2.35 2.51 0.00 37 R 7.80 4.12 0.00 2.04 1.95 0.00 3.20 0.00 0.00 3.27 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.89 0.00 38 T 8.10 4.27 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 1.15 0.00 0.00 39 N 8.15 4.08 0.00 2.82 2.87 0.00 0.00 6.85 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 40 L 7.73 4.87 0.00 1.70 1.63 1.14 0.82 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 41 T 7.97 4.49 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 1.22 0.00 0.00 42 E 8.67 4.01 0.00 2.02 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 2.31 0.00 43 A 7.98 4.05 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 44 R 8.16 4.04 0.00 2.12 2.24 0.00 3.31 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.81 0.00 45 I 7.88 3.89 2.13 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 1.72 1.08 1.08 0.00 0.00 46 Q 8.60 4.12 0.00 2.44 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.82 0.00 0.00 0.00 0.00 0.00 2.59 2.45 0.00 47 V 7.91 3.69 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 1.01 0.00 0.00 48 W 8.63 4.04 0.00 3.42 3.31 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 49 F 8.85 3.86 0.00 3.33 3.23 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 0.00 50 Q 8.05 4.01 0.00 2.40 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.81 0.00 0.00 0.00 0.00 0.00 2.45 2.63 0.00 51 N 8.42 4.28 0.00 2.53 2.61 0.00 0.00 6.70 7.64 0.00 0.00 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 R 7.58 3.00 0.00 0.67 0.82 0.00 2.21 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 53 R 7.96 3.96 0.00 2.03 1.93 0.00 2.59 0.00 0.00 2.43 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.90 0.00 54 A 7.84 3.94 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.48 3.73 0.00 1.78 1.87 0.00 3.08 0.00 0.00 2.97 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 56 L 7.62 4.09 0.00 1.71 1.94 0.97 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 57 R 8.07 4.15 0.00 1.94 1.82 0.00 3.33 0.00 0.00 3.15 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.50 0.00 58 K 7.88 4.43 0.00 2.11 1.80 0.00 1.92 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.45 1.32 7.81 * Residues marked with a * may have inaccurate shift predictions.