NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4003 8.4345 115.2938 58.2485 63.5504 174.4364 3 Q 4.0832 8.6233 125.4196 57.1426 27.0786 174.4117 4 I 4.2009 7.6710 114.1615 61.0419 35.9810 181.8400 *6 Y 4.7493 7.9633 124.2803 58.3099 40.4563 175.3591 7 N 4.8445 7.9676 114.9813 53.1512 39.0116 176.0110 8 Y 4.1015 7.5248 120.2998 60.4152 39.2245 175.8384 9 P 4.3352 0.0000 0.0000 65.7395 31.6138 178.2815 10 A 4.2343 7.4753 119.0665 52.5359 18.2605 179.1838 *12 L 3.9630 8.1723 122.2614 56.5652 43.9270 178.6317 13 A 3.9618 7.8576 120.1581 55.5325 17.9430 179.1198 14 H 4.0586 8.4958 116.0944 58.9910 29.9591 177.0805 15 A 4.1182 7.9106 121.4394 55.1215 18.6815 178.8586 16 A 4.1268 8.1618 119.3722 55.1177 17.8366 179.0265 17 E 3.9270 7.8672 116.0152 57.0977 29.9129 178.2054 *19 N 4.8094 8.1449 116.9206 53.1316 40.9223 176.6813 20 T 3.8265 7.8347 114.6819 67.2094 68.4541 176.0234 21 Y 4.0931 7.7864 117.3868 60.6138 37.8141 178.3586 22 S 4.2675 8.2334 116.2431 61.5962 62.9809 176.7682 23 G 3.5766 8.0381 107.6918 47.7022 0.0000 175.6919 24 A 4.0123 7.9882 123.3282 54.8493 18.3782 179.7701 25 L 3.9273 8.0384 117.5786 58.0059 41.6728 179.1814 26 H 4.0078 8.3096 117.9715 59.1554 29.8734 177.1714 27 A 4.0191 8.1949 122.5288 55.3557 18.2451 179.7962 28 V 3.7421 8.2105 117.1903 66.0588 31.5564 178.4222 29 G 3.8793 8.3007 105.4154 47.8615 0.0000 175.5664 30 A 4.1321 8.2471 123.2293 54.8853 18.3859 179.4801 31 D 4.3200 8.3430 117.3481 57.7377 40.9403 178.7545 32 I 3.6800 8.1240 120.1568 64.6806 37.2699 178.3175 33 A 4.1854 8.4091 121.0632 55.1120 18.1787 179.5925 34 A 4.0204 8.3132 119.5350 55.4783 18.5275 179.8007 35 E 3.9081 8.8555 117.5061 59.4965 29.2778 179.3136 36 Q 3.9195 8.2920 119.3281 59.2778 29.3293 177.6595 37 H 4.2811 8.2780 118.7532 59.2514 29.7763 177.0791 38 A 4.0406 8.1293 121.5030 54.4787 18.3228 178.5325 39 L 4.4532 7.5829 115.6999 54.5643 42.0767 178.1567 40 A 3.5533 7.6093 123.8558 55.2644 17.9584 180.6837 41 S 4.2007 7.7300 108.3974 60.1355 63.2516 174.8296 42 A 4.1323 7.7655 123.4524 53.0641 18.7054 177.0612 43 W 4.2482 8.4733 129.6831 56.9754 31.3006 176.1146 44 Q 4.8789 8.2123 123.3178 52.8399 31.3865 173.2544 45 G 4.1088 8.5447 108.2822 47.4246 0.0000 173.9566 46 D 4.5259 7.7690 121.0763 56.5156 40.9241 180.0608 47 T 3.9862 7.7416 115.7699 64.8821 69.0902 174.9075 48 G 3.7934 7.9615 109.0206 46.3057 0.0000 172.6744 *50 T 4.1891 7.3520 112.2289 61.7002 71.6578 174.6114 51 Y 2.6901 7.6978 119.7998 59.7936 38.0356 178.1645 52 Q 3.7306 6.7110 119.0936 58.6435 28.8111 178.6014 53 A 3.9774 7.8730 121.6641 54.6955 18.2871 179.6031 54 W 3.9082 7.8130 126.5508 60.4467 30.8222 177.7412 55 Q 4.2506 8.5218 119.7761 59.5802 28.4179 178.7179 56 A 3.9789 7.8154 120.7885 55.4218 18.4716 179.7055 57 Q 3.8817 7.9916 116.5250 58.3753 28.4608 178.7069 58 W 3.7531 8.1552 129.2273 60.4552 30.7989 177.4625 59 N 4.2372 7.9382 114.9158 56.1248 38.2555 176.8336 60 Q 4.0453 7.9104 120.6501 59.0567 29.0984 179.5130 61 A 3.7109 7.4863 118.8236 52.6174 18.2552 178.6306 *63 E 4.0722 8.3203 126.1321 58.3565 31.6756 178.5191 64 E 4.0204 8.0395 118.0630 60.7699 29.6761 181.1168 65 L 4.1322 7.9661 120.9428 58.0774 42.1378 179.3366 66 V 3.6534 7.6132 117.7839 66.0169 31.5678 178.0991 67 R 3.9252 7.9185 117.1877 59.1661 29.6800 178.8780 68 A 3.9819 7.8179 119.5592 55.3701 18.4595 178.7751 69 Y 4.0029 7.9970 117.0116 60.8830 39.1796 178.1057 70 R 4.1456 8.7179 119.0953 58.6675 30.0601 178.9186 71 A 4.0998 7.9546 117.0728 52.9830 18.0192 178.7502 *73 A 4.1277 7.8908 124.6717 53.8630 20.6659 180.2696 74 T 3.9112 8.0064 112.5076 67.0668 68.2035 177.0408 75 T 3.8215 7.6993 116.7067 66.8304 68.7017 175.9180 76 H 4.2688 7.9727 119.5113 59.4556 29.8132 176.8894 77 E 3.9687 8.2722 120.3298 59.7167 29.0300 179.4122 78 Q 3.9624 8.1548 117.4111 58.8919 28.7498 178.6321 79 N 4.5330 7.8763 116.6773 56.4391 38.8602 176.9851 80 T 3.6356 6.8000 112.9618 65.0912 69.1312 173.9780 *82 A 4.1248 7.9060 129.9459 52.4778 18.8995 177.0472 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 2 S 8.43 4.40 0.00 3.87 3.88 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 0.00 0.00 0.00 3 Q 8.62 4.08 0.00 2.10 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 7.08 0.00 0.00 0.00 0.00 0.00 2.35 1.99 0.00 4 I 7.67 4.20 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 1.18 0.54 0.91 0.00 0.00 *6 Y 7.96 4.75 0.00 3.09 3.21 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 0.00 7 N 7.97 4.84 0.00 2.79 2.84 0.00 0.00 6.64 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 Y 7.52 4.10 0.00 3.09 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 9 P 0.00 4.34 0.00 2.21 2.13 0.00 3.63 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.23 0.00 10 A 7.48 4.23 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 *12 L 8.17 3.96 0.00 0.96 1.56 0.85 0.94 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 13 A 7.86 3.96 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 14 H 8.50 4.06 0.00 3.24 3.31 0.00 5.96 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 A 7.91 4.12 1.40 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 0.00 0.00 16 A 8.16 4.13 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.87 3.93 0.00 2.03 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 2.45 2.36 0.00 *19 N 8.14 4.81 0.00 2.96 2.92 0.00 0.00 7.00 7.05 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 20 T 7.83 3.83 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 0.87 0.00 0.00 21 Y 7.79 4.09 0.00 3.01 2.55 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 22 S 8.23 4.27 0.00 4.15 3.99 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 23 G 8.04 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 A 7.99 4.01 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 25 L 8.04 3.93 0.00 1.85 1.67 0.55 0.67 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 26 H 8.31 4.01 0.00 3.37 3.46 0.00 5.78 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 A 8.19 4.02 1.43 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 0.00 0.00 0.00 28 V 8.21 3.74 2.17 0.00 0.00 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 1.03 0.00 0.00 29 G 8.30 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 30 A 8.25 4.13 1.41 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 0.00 0.00 31 D 8.34 4.32 0.00 2.96 2.78 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 0.00 0.00 0.00 0.00 32 I 8.12 3.68 2.34 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.86 0.28 0.00 0.00 33 A 8.41 4.19 1.76 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 34 A 8.31 4.02 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.86 3.91 0.00 1.96 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 2.34 2.54 0.00 36 Q 8.29 3.92 0.00 2.06 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.96 0.00 0.00 0.00 0.00 0.00 2.23 1.70 0.00 37 H 8.28 4.28 0.00 3.43 3.47 0.00 5.65 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 A 8.13 4.04 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 39 L 7.58 4.45 0.00 1.75 1.62 0.86 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 40 A 7.61 3.55 0.59 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 0.00 0.00 0.00 41 S 7.73 4.20 0.00 3.94 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 A 7.77 4.13 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 43 W 8.47 4.25 0.00 3.31 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 44 Q 8.21 4.88 0.00 2.08 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.39 0.00 0.00 0.00 0.00 0.00 2.17 1.88 0.00 45 G 8.54 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.77 4.53 0.00 2.71 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 T 7.74 3.99 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 1.31 0.00 0.00 48 G 7.96 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 0.00 0.00 0.00 *50 T 7.35 4.19 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 1.19 0.00 0.00 51 Y 7.70 2.69 0.00 2.59 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 52 Q 6.71 3.73 0.00 1.79 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.94 0.00 0.00 0.00 0.00 0.00 2.18 1.93 0.00 53 A 7.87 3.98 1.35 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 0.00 0.00 0.00 0.00 0.00 0.00 54 W 7.81 3.91 0.00 3.33 2.88 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 0.00 0.00 0.00 55 Q 8.52 4.25 0.00 2.57 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.45 2.54 0.00 56 A 7.82 3.98 1.37 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 0.00 0.00 0.00 57 Q 7.99 3.88 0.00 2.12 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.76 0.00 0.00 0.00 0.00 0.00 2.32 2.47 0.00 58 W 8.16 3.75 0.00 1.80 2.94 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 59 N 7.94 4.24 0.00 2.70 2.81 0.00 0.00 7.07 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 Q 7.91 4.05 0.00 2.22 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.08 0.00 0.00 0.00 0.00 0.00 2.29 2.35 0.00 61 A 7.49 3.71 1.09 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 0.00 0.00 *63 E 8.32 4.07 0.00 2.11 2.02 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 2.24 2.29 0.00 64 E 8.04 4.02 0.00 2.03 1.94 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 2.24 2.18 0.00 65 L 7.97 4.13 0.00 1.76 1.56 0.89 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 66 V 7.61 3.65 2.09 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 1.06 0.00 0.00 0.91 0.00 0.00 67 R 7.92 3.93 0.00 1.91 1.96 0.00 3.17 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.78 0.00 68 A 7.82 3.98 1.37 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 0.00 0.00 0.00 69 Y 8.00 4.00 0.00 3.08 3.18 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 0.00 0.00 0.00 70 R 8.72 4.15 0.00 2.01 1.98 0.00 3.21 0.00 0.00 3.19 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.82 0.00 71 A 7.95 4.10 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 *73 A 7.89 4.13 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 74 T 8.01 3.91 4.36 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 1.21 0.00 0.00 75 T 7.70 3.82 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 1.19 0.00 0.00 76 H 7.97 4.27 0.00 3.21 3.48 0.00 5.88 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 E 8.27 3.97 0.00 2.21 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 2.35 2.54 0.00 78 Q 8.15 3.96 0.00 2.17 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.98 0.00 0.00 0.00 0.00 0.00 2.40 2.55 0.00 79 N 7.88 4.53 0.00 2.69 2.84 0.00 0.00 7.02 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 80 T 6.80 3.64 4.32 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 1.00 0.00 0.00 *82 A 7.91 4.12 1.35 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 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.