NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 Q 4.3115 8.2027 121.7128 56.2725 31.2842 176.9681 7 D 4.1774 8.1111 116.7147 56.5707 41.1626 172.9727 8 V 3.4475 7.8573 118.5429 65.7077 31.9685 176.9742 9 F 3.5902 8.0166 119.9357 61.3686 39.1614 177.0470 10 L 4.0095 8.1089 118.4173 57.4553 41.3687 178.8633 11 D 4.3808 7.9515 118.2816 57.7715 41.1787 178.0381 12 Y 4.3213 7.8278 117.0733 61.2518 37.7038 178.3153 13 C 3.9913 7.9357 117.7644 62.9814 28.2282 176.0673 14 Q 4.0328 8.3647 121.0773 59.0080 28.6335 178.3481 15 K 4.0281 8.1911 119.8054 59.2612 31.9331 179.0850 16 L 4.0779 8.1570 120.7038 57.9348 42.0117 178.5759 17 L 4.2191 8.2404 120.5308 58.5818 42.0361 178.9788 18 E 4.0269 8.4828 118.4258 59.1145 29.1474 179.0865 19 K 3.7441 7.9971 118.9708 59.0296 32.2576 177.8848 20 F 4.3184 7.5895 114.5769 55.9688 39.3082 175.7439 21 R 3.8290 7.5407 116.4170 57.3723 28.0068 176.0247 22 Y 4.8211 7.8246 114.1925 56.4269 39.3344 174.3595 23 P 4.6920 0.0000 0.0000 61.8819 32.6514 176.9068 24 W 4.2326 9.1121 129.0070 60.9920 30.1229 177.6864 25 E 4.0123 8.4311 117.6171 58.4684 29.2915 177.5273 26 L 4.3261 7.9252 117.7674 54.8012 41.7888 177.8040 27 M 3.7274 7.7262 121.6210 58.2160 31.8248 176.6053 28 P 4.1602 0.0000 0.0000 65.8209 31.4078 178.5813 29 L 4.0338 7.8323 117.5913 57.8469 41.4343 179.3407 30 M 4.0308 7.8860 118.3261 58.2933 31.8232 177.8133 31 Y 4.0883 8.3287 120.0789 60.7763 38.9045 178.5154 32 V 3.6666 7.9504 118.8817 66.1488 31.6258 178.0142 33 I 3.6723 7.8633 119.5395 64.3964 36.9521 178.2917 34 L 4.0053 8.2483 121.5251 57.8514 41.8713 178.8778 35 K 3.9692 8.4782 120.0878 59.6434 31.8958 178.5340 36 D 4.4067 8.2811 118.1267 56.7205 40.9408 177.5947 37 A 4.5247 7.6903 119.3976 50.9429 18.8631 176.8203 38 D 4.3578 8.7563 116.8638 56.3191 38.9725 173.8673 39 A 3.8299 8.5550 118.1178 53.6905 16.6543 179.4912 40 N 4.6099 7.9048 119.6138 53.7621 38.2983 174.5525 41 I 3.6180 7.9073 127.6277 63.7665 38.2162 177.0004 42 E 3.9355 8.1190 118.9282 59.4780 29.3519 178.8393 43 E 3.9233 8.6294 119.0476 59.0613 29.7003 178.5406 44 A 3.9924 8.3326 121.2203 55.3401 18.3600 179.7524 45 S 4.3412 8.4159 113.8252 61.9084 62.8873 176.8569 46 R 3.9292 8.2018 121.3404 59.5842 29.7571 178.7898 47 R 3.9181 8.2314 117.8519 59.3215 30.0728 179.1173 48 I 3.6148 7.7706 119.6120 64.3318 36.9136 178.3252 49 E 4.0815 8.5607 119.7847 59.3279 29.1904 179.0149 50 E 4.0970 8.6104 119.7395 59.2938 29.7341 179.0143 51 G 3.6650 8.2470 105.7616 48.0167 0.0000 175.6739 52 Q 4.0387 8.2132 120.3650 58.7562 28.7523 177.9728 53 Y 4.0315 8.3235 120.7481 60.7619 38.9145 178.1418 54 V 3.4047 8.1564 119.2293 66.0822 31.6103 178.2048 55 V 3.5875 7.8636 117.6503 66.0862 31.3843 177.5383 56 N 4.2936 8.1196 116.1866 56.6418 38.3202 177.2319 57 E 3.8951 8.0086 119.6613 59.0719 29.2995 178.5498 58 Y 4.0686 7.8488 119.0421 60.7882 39.1351 178.1990 59 S 4.1377 8.3269 118.3811 62.3047 62.8013 177.3421 60 R 4.0262 7.9551 124.5381 62.1837 29.1869 180.6884 61 Q 4.7172 8.0726 120.7817 58.1050 28.0759 178.4318 *62 H 4.8270 7.4900 116.5665 55.2594 30.2908 178.1871 63 N 4.1824 8.3615 119.5584 54.4114 33.8288 178.5418 64 L 4.4305 7.5250 122.6842 54.1723 42.1043 177.6396 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 6 Q 8.20 4.31 0.00 2.15 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.86 0.00 0.00 0.00 0.00 0.00 2.36 2.48 0.00 7 D 8.11 4.18 0.00 2.89 2.66 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 8 V 7.86 3.45 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 0.51 0.00 0.00 0.90 0.00 0.00 9 F 8.02 3.59 0.00 3.05 3.19 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 0.00 0.00 0.00 10 L 8.11 4.01 0.00 1.97 1.80 1.04 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 11 D 7.95 4.38 0.00 2.93 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 12 Y 7.83 4.32 0.00 2.82 2.73 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 13 C 7.94 3.99 0.00 3.06 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 14 Q 8.36 4.03 0.00 2.30 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.81 0.00 0.00 0.00 0.00 0.00 2.57 2.69 0.00 15 K 8.19 4.03 0.00 2.02 1.86 0.00 1.76 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.70 1.64 7.81 16 L 8.16 4.08 0.00 1.95 1.91 1.17 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 17 L 8.24 4.22 0.00 2.00 1.96 1.05 1.31 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 18 E 8.48 4.03 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 2.41 2.53 0.00 19 K 8.00 3.74 0.00 1.61 1.83 0.00 1.58 0.00 0.00 1.44 0.00 0.00 2.34 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.41 1.09 7.81 20 F 7.59 4.32 0.00 2.69 2.26 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 21 R 7.54 3.83 0.00 1.86 1.97 0.00 3.30 0.00 0.00 3.36 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.67 0.00 22 Y 7.82 4.82 0.00 3.05 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 23 P 0.00 4.69 0.00 2.33 2.28 0.00 3.95 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.04 0.00 24 W 9.11 4.23 0.00 3.51 3.22 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 0.00 0.00 0.00 0.00 25 E 8.43 4.01 0.00 2.07 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 2.28 2.42 0.00 26 L 7.93 4.33 0.00 1.56 1.38 0.62 1.03 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 27 M 7.73 3.73 0.00 1.44 1.37 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.89 0.00 28 P 0.00 4.16 0.00 2.07 2.03 0.00 3.52 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.06 0.00 29 L 7.83 4.03 0.00 1.64 1.58 0.76 0.79 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 30 M 7.89 4.03 0.00 2.00 2.17 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.66 0.00 31 Y 8.33 4.09 0.00 3.13 3.19 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 0.00 0.00 0.00 32 V 7.95 3.67 2.24 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 1.12 0.00 0.00 1.09 0.00 0.00 33 I 7.86 3.67 1.84 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.24 0.88 0.00 0.00 34 L 8.25 4.01 0.00 1.72 1.54 0.88 0.20 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 35 K 8.48 3.97 0.00 1.40 1.77 0.00 1.38 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.32 1.23 7.81 36 D 8.28 4.41 0.00 2.86 2.72 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 37 A 7.69 4.52 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 38 D 8.76 4.36 0.00 2.86 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 39 A 8.55 3.83 1.70 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 0.00 0.00 40 N 7.90 4.61 0.00 2.79 2.87 0.00 0.00 6.87 7.00 0.00 0.00 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 I 7.91 3.62 1.66 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.44 0.72 0.00 0.00 42 E 8.12 3.94 0.00 2.22 1.97 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 2.37 2.40 0.00 43 E 8.63 3.92 0.00 2.09 2.07 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 2.31 2.37 0.00 44 A 8.33 3.99 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 45 S 8.42 4.34 0.00 4.12 4.13 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 0.00 0.00 0.00 46 R 8.20 3.93 0.00 1.90 2.10 0.00 3.09 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 47 R 8.23 3.92 0.00 2.05 1.95 0.00 3.18 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 1.94 0.00 48 I 7.77 3.61 1.53 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.69 0.18 0.00 0.00 49 E 8.56 4.08 0.00 2.24 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 0.00 2.54 2.72 0.00 50 E 8.61 4.10 0.00 2.05 2.14 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 2.37 2.40 0.00 51 G 8.25 3.67 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 0.00 0.00 0.00 52 Q 8.21 4.04 0.00 2.37 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.75 0.00 0.00 0.00 0.00 0.00 2.44 2.54 0.00 53 Y 8.32 4.03 0.00 3.13 3.17 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 0.00 0.00 0.00 0.00 54 V 8.16 3.40 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 0.91 0.00 0.00 1.14 0.00 0.00 55 V 7.86 3.59 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.91 0.00 0.00 56 N 8.12 4.29 0.00 2.88 2.82 0.00 0.00 7.10 7.04 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 57 E 8.01 3.90 0.00 1.57 1.82 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 1.55 1.85 0.00 58 Y 7.85 4.07 0.00 2.94 3.20 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 59 S 8.33 4.14 0.00 4.11 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 60 R 7.96 4.03 0.00 1.91 1.86 0.00 3.26 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.53 0.00 61 Q 8.07 4.72 0.00 2.13 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.76 7.20 0.00 0.00 0.00 0.00 0.00 2.30 2.24 0.00 *62 H 7.49 4.83 0.00 2.87 2.87 0.00 7.32 0.00 0.00 0.00 0.00 5.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 N 8.36 4.18 0.00 2.89 2.74 0.00 0.00 6.47 7.79 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 64 L 7.53 4.43 0.00 1.60 1.38 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.