NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.3733 8.3344 115.2910 58.1749 63.4163 173.6008 3 E 3.9701 9.0233 122.8899 56.4188 30.7915 173.8978 4 I 4.3753 7.4170 119.8302 60.7053 38.7668 175.8943 5 S 4.3926 9.0254 121.7465 57.1943 65.1161 173.1766 6 P 4.1856 0.0000 0.0000 65.8293 30.9609 178.5719 7 E 4.0205 7.9716 115.5188 58.7698 29.8558 178.8947 8 Q 3.3821 7.7305 119.1267 58.7051 28.7552 178.5976 9 R 3.7208 7.5327 118.8763 59.6473 30.0323 179.0985 10 T 3.8719 7.6461 114.8282 66.5590 68.4510 176.1703 11 A 4.0084 7.6501 122.5187 55.5898 18.3971 179.8237 12 F 4.5120 7.9198 115.9951 60.7308 38.9962 178.0067 13 E 4.0613 8.8979 118.5173 59.3258 29.1983 179.2955 14 A 4.1018 8.4626 120.9560 55.1637 18.4801 179.5162 15 A 4.0074 8.3238 119.4301 55.3371 18.4283 180.0937 16 V 3.5817 8.0901 116.8038 65.9585 31.5704 177.9781 17 F 4.1928 8.4745 120.4563 61.6130 39.2943 177.4182 18 R 3.7974 8.4396 117.6846 59.0589 29.7694 179.0820 19 R 3.9131 8.0599 118.8770 58.9930 30.0526 178.3005 20 L 3.9203 7.9048 120.3123 58.0039 42.1246 178.7576 21 L 3.7349 7.6466 119.2568 57.7668 41.5562 179.4207 22 E 3.9306 7.9817 117.3651 59.8364 29.4730 178.7047 23 H 4.2218 8.2160 119.1961 58.6880 29.6551 177.1684 24 L 4.0550 7.8541 120.2361 57.2468 41.5350 179.1790 25 R 4.1606 7.7582 117.6304 59.4187 30.1230 178.5969 26 E 4.1802 8.0050 116.9315 58.2911 30.4725 178.0107 27 R 4.5655 7.8653 119.7769 55.6043 29.5149 178.0016 28 S 4.4954 7.9472 112.8592 60.1638 63.4534 174.8998 29 D 4.3848 7.9231 119.9616 54.7550 39.7785 176.2024 30 V 4.0127 7.6533 120.9910 61.8822 32.0886 175.8932 31 Q 4.4293 8.4658 126.6830 55.2508 30.6060 176.5065 32 N 4.2798 8.9760 121.9256 56.6103 38.8098 176.8725 33 I 3.8056 7.8881 118.0493 64.6572 38.2086 177.0654 34 D 4.5461 8.0379 118.7867 56.7454 40.6723 178.3817 35 L 3.6524 7.6230 117.4298 56.1241 41.4603 177.9816 *37 N 4.6714 8.0581 115.8251 52.7348 40.2003 175.3993 38 L 4.1096 7.7466 119.2798 56.8152 42.4562 177.2076 39 A 4.4469 8.4549 120.6074 51.6212 19.6428 178.0330 40 G 4.0735 9.1159 103.4067 45.4523 0.0000 173.0407 41 F 4.9048 7.6137 112.5695 55.6819 40.8939 172.8212 42 C 4.2241 7.8730 114.1630 56.2013 32.1620 174.3534 43 R 3.6283 8.4534 117.1824 59.7679 29.3088 178.7592 44 N 4.2605 7.9682 115.7415 56.2801 38.5162 177.1515 45 C 3.6855 7.6902 117.7196 62.4227 28.2349 175.6380 46 L 3.9782 7.7374 120.7958 58.1949 40.7633 179.9289 47 S 4.1770 8.0495 114.8010 61.5001 62.7400 176.3204 48 N 4.3573 8.1669 119.7739 56.6053 38.7569 177.0772 49 W 4.5020 8.6596 120.6830 59.7986 29.0531 178.0217 50 Y 3.8973 8.3622 119.8069 60.5280 38.2758 177.5640 51 R 4.0016 8.3822 119.7408 59.7658 30.1083 178.3993 52 E 3.9910 8.4888 117.9820 59.1000 29.2412 179.2983 53 A 3.8383 7.9965 120.8331 54.9626 18.3998 179.4687 54 A 3.8214 7.8775 119.3170 55.3549 18.4403 179.6747 55 E 3.9742 8.3583 116.8904 59.6121 29.3359 179.5299 56 A 4.0330 8.1332 119.8160 54.5466 18.3944 178.7912 57 S 4.5876 7.4628 111.6609 58.1938 63.1486 175.1011 58 G 3.8058 8.1698 109.8641 45.1341 0.0000 173.7232 59 V 4.1628 7.7137 119.6369 60.0187 32.3184 173.7280 60 P 4.5255 0.0000 0.0000 62.0979 32.3803 176.0153 *62 S 4.2997 8.1223 113.6493 58.1074 65.2739 174.7987 63 K 3.9505 8.3236 120.9717 59.8167 31.7010 179.5072 64 E 4.0164 8.1057 118.2979 59.1503 29.5439 178.9584 65 E 4.1514 8.3945 119.0677 59.6054 29.6847 179.5857 66 S 4.1841 8.0293 113.9223 61.5076 62.9368 176.8472 67 R 4.0471 7.7609 122.4998 58.4482 29.8770 178.3760 68 E 3.9927 8.4641 118.8789 59.7710 29.2903 179.6888 69 I 3.5743 7.3025 117.6903 64.4677 37.2399 178.4597 70 V 3.5288 7.2780 117.3134 66.0519 31.4382 177.2526 71 Y 4.0227 8.4825 115.5235 58.0849 37.9107 176.0168 72 G 3.7281 7.8306 107.2009 46.4809 0.0000 172.1004 *74 P 4.1842 0.0000 0.0000 61.6567 33.4431 175.8661 75 Y 3.7912 8.6043 123.0484 61.2676 38.3299 178.7137 76 E 3.7710 8.1020 117.2691 59.3229 29.6738 178.7110 77 E 4.0676 8.0453 117.5520 59.0085 29.7163 178.6735 78 W 4.1737 8.0400 128.5327 60.1435 30.5866 177.7166 79 R 3.7232 7.9207 117.4714 58.3267 29.4508 176.8612 80 T 4.1495 7.1853 119.6376 64.1072 68.8451 173.9880 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 8.33 4.37 0.00 3.86 3.72 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.02 3.97 0.00 2.06 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 2.29 2.40 0.00 4 I 7.42 4.38 1.91 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.77 0.94 0.00 0.00 5 S 9.03 4.39 0.00 4.10 3.96 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 6 P 0.00 4.19 0.00 2.12 2.10 0.00 3.54 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.12 0.00 7 E 7.97 4.02 0.00 2.08 2.13 0.00 0.00 0.00 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 2.29 0.00 8 Q 7.73 3.38 0.00 2.02 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.77 0.00 0.00 0.00 0.00 0.00 2.24 2.27 0.00 9 R 7.53 3.72 0.00 1.91 1.93 0.00 3.09 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.80 0.00 10 T 7.65 3.87 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 1.16 0.00 0.00 11 A 7.65 4.01 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 12 F 7.92 4.51 0.00 3.01 3.01 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 13 E 8.90 4.06 0.00 2.17 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 2.36 2.46 0.00 14 A 8.46 4.10 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 15 A 8.32 4.01 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.09 3.58 2.30 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 1.04 0.00 0.00 1.07 0.00 0.00 17 F 8.47 4.19 0.00 3.24 3.33 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.44 3.80 0.00 2.08 1.98 0.00 3.24 0.00 0.00 3.19 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 2.03 0.00 19 R 8.06 3.91 0.00 2.16 1.98 0.00 3.26 0.00 0.00 3.10 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.78 0.00 20 L 7.90 3.92 0.00 1.79 1.67 1.00 0.63 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 21 L 7.65 3.73 0.00 1.64 1.49 0.31 0.41 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 22 E 7.98 3.93 0.00 2.20 2.39 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 2.48 2.32 0.00 23 H 8.22 4.22 0.00 3.33 3.57 0.00 5.77 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 L 7.85 4.06 0.00 1.70 1.61 0.88 0.80 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 25 R 7.76 4.16 0.00 2.00 2.03 0.00 3.13 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.70 0.00 26 E 8.01 4.18 0.00 1.94 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 2.49 2.50 0.00 27 R 7.87 4.57 0.00 1.80 1.87 0.00 3.26 0.00 0.00 3.22 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.60 0.00 28 S 7.95 4.50 0.00 3.95 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 0.00 29 D 7.92 4.38 0.00 2.79 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 V 7.65 4.01 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.97 0.00 0.00 31 Q 8.47 4.43 0.00 2.26 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.65 0.00 0.00 0.00 0.00 0.00 2.45 2.52 0.00 32 N 8.98 4.28 0.00 2.85 2.94 0.00 0.00 6.90 7.45 0.00 0.00 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 I 7.89 3.81 1.90 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 1.65 0.62 0.93 0.00 0.00 34 D 8.04 4.55 0.00 2.72 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 7.62 3.65 0.00 1.87 1.53 0.77 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 *37 N 8.06 4.67 0.00 2.77 2.91 0.00 0.00 7.01 7.85 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 38 L 7.75 4.11 0.00 1.65 1.67 0.93 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 39 A 8.45 4.45 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.12 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.61 4.90 0.00 2.80 3.11 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 42 C 7.87 4.22 0.00 2.93 2.97 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 43 R 8.45 3.63 0.00 1.43 1.05 0.00 2.64 0.00 0.00 2.34 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.47 0.00 44 N 7.97 4.26 0.00 2.64 2.73 0.00 0.00 7.16 7.66 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 45 C 7.69 3.69 0.00 2.70 1.79 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 46 L 7.74 3.98 0.00 1.78 1.88 0.96 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 47 S 8.05 4.18 0.00 3.94 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 N 8.17 4.36 0.00 2.79 2.77 0.00 0.00 7.23 7.56 0.00 0.00 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 W 8.66 4.50 0.00 3.58 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 Y 8.36 3.90 0.00 3.35 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 51 R 8.38 4.00 0.00 2.02 2.13 0.00 3.18 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.74 0.00 52 E 8.49 3.99 0.00 2.30 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 2.38 2.58 0.00 53 A 8.00 3.84 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.88 3.82 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 55 E 8.36 3.97 0.00 2.02 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 2.49 2.62 0.00 56 A 8.13 4.03 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 57 S 7.46 4.59 0.00 3.85 3.83 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.17 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 V 7.71 4.16 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 0.84 0.00 0.00 0.91 0.00 0.00 60 P 0.00 4.53 0.00 2.09 2.00 0.00 3.77 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 *62 S 8.12 4.30 0.00 4.08 4.06 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 0.00 0.00 0.00 63 K 8.32 3.95 0.00 1.80 1.85 0.00 1.66 0.00 0.00 1.81 0.00 0.00 2.96 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.51 1.53 7.81 64 E 8.11 4.02 0.00 1.99 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 2.36 0.00 65 E 8.39 4.15 0.00 2.19 2.05 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 2.36 2.35 0.00 66 S 8.03 4.18 0.00 4.33 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 0.00 67 R 7.76 4.05 0.00 2.11 2.03 0.00 3.09 0.00 0.00 3.07 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.45 0.00 68 E 8.46 3.99 0.00 2.18 2.05 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 2.37 2.56 0.00 69 I 7.30 3.57 1.60 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 1.57 0.55 0.36 0.00 0.00 70 V 7.28 3.53 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.33 0.00 0.00 0.86 0.00 0.00 71 Y 8.48 4.02 0.00 2.99 2.87 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 72 G 7.83 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.18 0.00 2.21 2.05 0.00 3.67 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.17 0.00 75 Y 8.60 3.79 0.00 2.74 2.97 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 76 E 8.10 3.77 0.00 1.97 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 2.37 2.36 0.00 77 E 8.05 4.07 0.00 2.14 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 2.30 2.37 0.00 78 W 8.04 4.17 0.00 3.34 3.01 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 79 R 7.92 3.72 0.00 1.46 1.90 0.00 3.15 0.00 0.00 3.07 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.52 0.00 80 T 7.19 4.15 4.29 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 0.00 0.00 0.00 1.13 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.