NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.8273 8.3501 109.7343 44.6509 0.0000 173.5699 3 A 3.7341 7.9708 122.6208 51.3483 19.1762 176.2831 4 Q 4.2209 9.3857 126.0234 54.6657 29.8699 171.9580 5 V 4.2612 7.9675 125.4370 62.0364 32.5062 174.8579 6 S 4.7442 8.1530 122.8988 56.5949 67.5114 172.9493 7 S 5.0867 8.4662 117.1096 57.8685 63.7507 174.2134 8 Q 4.2140 8.9758 125.1376 54.7953 29.1394 176.4926 9 K 3.9803 8.7696 126.2584 56.2315 30.5808 175.0706 10 V 3.7200 8.1095 124.1812 62.4402 33.0975 175.6076 11 G 3.7897 8.5853 121.5985 45.6119 0.0000 176.1760 12 A 4.0902 8.8654 131.1682 51.9357 17.0723 177.2238 13 H 4.3847 8.2599 118.5851 55.7563 29.6667 175.9233 14 E 4.1128 8.6895 124.9638 56.2390 30.0676 177.3972 15 N 4.5027 8.6419 117.1572 54.2799 38.0086 175.2516 16 S 4.2771 8.3353 117.2411 58.1875 63.5086 174.5432 *17 N 4.4700 8.2976 115.6665 51.8898 38.8759 172.6203 *23 S 4.1684 8.1921 113.1919 58.2296 62.7543 173.0029 24 T 4.2727 8.3453 122.7067 61.4761 68.2061 173.5352 25 I 4.4347 8.2081 128.7562 60.3294 38.9641 174.4890 26 N 5.7651 8.8309 123.3762 51.6058 41.9380 173.4109 27 Y 4.9028 8.9676 118.8169 55.6527 41.1903 174.3982 28 T 4.6092 8.6718 119.8989 62.7675 70.1345 174.1800 29 T 4.6827 8.3850 122.0771 61.7263 72.0898 173.0856 30 I 4.6445 8.0349 125.6863 59.3326 40.5589 174.9338 31 N 4.2172 8.6162 125.1023 52.8303 38.0994 174.7334 32 Y 4.2649 7.6819 122.3399 60.0847 38.3680 175.9850 33 Y 4.8249 7.5242 115.7456 56.1677 39.8984 175.7962 34 R 4.0257 8.6776 122.2754 58.5923 30.7272 176.2159 35 D 4.7641 8.0826 118.8579 52.6811 41.8224 176.7832 36 S 4.2771 9.2618 119.1747 60.8394 62.9088 176.4730 37 A 3.9878 8.2084 122.3034 55.0657 18.0597 178.8211 38 S 4.1301 8.0527 110.9877 61.3019 63.1310 175.1293 39 N 4.4284 8.1347 117.7431 52.9054 38.7613 174.6917 40 A 4.1417 8.2847 124.1291 51.5021 18.7347 177.0366 41 A 4.2208 8.3177 122.5117 51.5390 18.5701 178.5625 42 S 4.2640 8.8483 118.5801 59.9252 62.4390 175.6490 43 K 4.0391 7.3298 115.2974 56.4066 31.2394 176.2098 44 Q 4.2027 8.1014 119.8276 54.8309 26.8801 175.0290 45 D 4.4880 7.2709 119.7519 52.5807 43.4939 176.0654 46 F 4.8823 7.9196 119.8061 56.2703 40.5700 176.1815 47 S 4.7333 8.5976 120.5594 57.7410 64.0352 173.5117 48 Q 4.6115 8.1361 119.3249 54.0635 31.5145 174.2930 49 D 4.4991 8.6179 119.5035 53.1837 41.6948 174.6470 50 P 4.4878 0.0000 0.0000 66.0132 31.6475 179.2767 51 S 3.9464 8.7691 116.7030 61.4039 62.6046 176.6742 52 K 3.7330 7.8396 117.8926 58.9827 32.1858 177.2044 53 F 4.9016 8.1466 117.5554 58.9241 40.4954 177.0348 54 T 4.2905 8.0099 109.0210 63.6684 69.5123 174.4746 55 E 4.7669 8.3422 122.9448 54.7581 30.5083 175.0293 56 P 4.5077 0.0000 0.0000 63.7200 31.3358 176.2167 57 I 3.8913 7.6417 113.5537 60.5860 38.2074 175.5214 58 K 3.8012 8.8867 126.1325 59.7605 31.8334 177.1295 59 D 4.5769 8.0743 123.4409 52.9880 39.6720 175.3623 60 V 3.2823 7.3607 121.8838 61.4352 32.4186 175.0149 61 L 4.5064 8.3805 127.6570 54.1058 42.1305 175.8873 62 I 4.2328 8.0937 124.0873 59.3005 37.3208 176.0915 63 K 3.8778 8.8837 126.4492 60.1940 32.1703 178.4967 64 T 3.8961 7.9479 107.9141 63.3854 69.0132 174.1154 65 A 4.5209 7.5335 124.4677 49.2076 20.6364 174.4661 66 P 4.1868 0.0000 0.0000 63.3716 31.1049 175.7737 67 M 3.9222 8.7429 123.8884 58.0229 32.0833 176.2493 68 L 4.5808 7.7497 118.5284 53.0502 42.7693 175.9133 69 N 4.5414 8.4993 121.4913 53.7012 39.2562 173.7096 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 G 8.35 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 0.00 0.00 0.00 3 A 7.97 3.73 1.24 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 0.00 0.00 4 Q 9.39 4.22 0.00 2.07 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.89 0.00 0.00 0.00 0.00 0.00 2.20 2.19 0.00 5 V 7.97 4.26 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 0.76 0.00 0.00 0.87 0.00 0.00 6 S 8.15 4.74 0.00 3.21 3.59 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 7 S 8.47 5.09 0.00 3.78 3.85 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 8 Q 8.98 4.21 0.00 1.96 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 7.18 0.00 0.00 0.00 0.00 0.00 2.32 2.61 0.00 9 K 8.77 3.98 0.00 1.72 1.76 0.00 1.79 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.43 7.81 10 V 8.11 3.72 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 0.65 0.00 0.00 0.98 0.00 0.00 11 G 8.59 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 12 A 8.87 4.09 1.24 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 0.00 0.00 13 H 8.26 4.38 0.00 3.16 3.27 0.00 5.72 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 E 8.69 4.11 0.00 2.00 1.83 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 2.56 2.35 0.00 15 N 8.64 4.50 0.00 2.76 2.83 0.00 0.00 6.92 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 16 S 8.34 4.28 0.00 4.11 3.80 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 *17 N 8.30 4.47 0.00 2.53 2.62 0.00 0.00 6.53 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 *23 S 8.19 4.17 0.00 3.85 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 24 T 8.35 4.27 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 25 I 8.21 4.43 1.91 0.00 0.00 0.89 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 0.55 1.00 0.00 0.00 26 N 8.83 5.77 0.00 2.59 2.76 0.00 0.00 6.82 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 27 Y 8.97 4.90 0.00 3.02 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 28 T 8.67 4.61 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 1.19 0.00 0.00 29 T 8.38 4.68 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 1.15 0.00 0.00 30 I 8.03 4.64 1.81 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.55 0.84 0.00 0.00 31 N 8.62 4.22 0.00 2.62 2.73 0.00 0.00 7.19 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 32 Y 7.68 4.26 0.00 2.34 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.52 4.82 0.00 2.99 2.89 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.68 4.03 0.00 1.82 2.02 0.00 3.25 0.00 0.00 3.26 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 35 D 8.08 4.76 0.00 2.75 2.59 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 36 S 9.26 4.28 0.00 4.00 4.18 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 37 A 8.21 3.99 1.29 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 0.00 0.00 0.00 38 S 8.05 4.13 0.00 4.08 3.74 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.13 4.43 0.00 2.92 2.75 0.00 0.00 6.77 7.14 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 40 A 8.28 4.14 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 41 A 8.32 4.22 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 42 S 8.85 4.26 0.00 3.84 3.92 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 0.00 0.00 0.00 0.00 43 K 7.33 4.04 0.00 2.12 1.87 0.00 1.70 0.00 0.00 1.54 0.00 0.00 2.98 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.52 1.46 7.81 44 Q 8.10 4.20 0.00 1.92 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.73 0.00 0.00 0.00 0.00 0.00 2.36 2.33 0.00 45 D 7.27 4.49 0.00 2.67 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.92 4.88 0.00 3.15 2.99 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 47 S 8.60 4.73 0.00 3.93 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 0.00 48 Q 8.14 4.61 0.00 2.12 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.96 0.00 0.00 0.00 0.00 0.00 2.29 2.37 0.00 49 D 8.62 4.50 0.00 2.67 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.49 0.00 2.42 2.45 0.00 3.55 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.19 0.00 51 S 8.77 3.95 0.00 4.12 3.86 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 52 K 7.84 3.73 0.00 1.44 1.68 0.00 0.64 0.00 0.00 1.28 0.00 0.00 2.85 0.00 0.00 2.89 0.00 0.00 0.00 0.00 0.81 0.21 7.81 53 F 8.15 4.90 0.00 3.11 3.04 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 54 T 8.01 4.29 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 55 E 8.34 4.77 0.00 1.99 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.24 0.00 56 P 0.00 4.51 0.00 2.16 2.25 0.00 3.53 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.19 0.00 57 I 7.64 3.89 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 1.26 0.59 0.91 0.00 0.00 58 K 8.89 3.80 0.00 1.73 1.90 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.43 1.49 7.81 59 D 8.07 4.58 0.00 2.70 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.36 3.28 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 0.80 0.00 0.00 0.92 0.00 0.00 61 L 8.38 4.51 0.00 1.76 1.65 0.95 0.74 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 62 I 8.09 4.23 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 1.47 0.48 0.91 0.00 0.00 63 K 8.88 3.88 0.00 1.86 1.98 0.00 1.58 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.42 1.46 7.81 64 T 7.95 3.90 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 65 A 7.53 4.52 1.26 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 0.00 0.00 66 P 0.00 4.19 0.00 2.17 2.13 0.00 3.55 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.08 0.00 67 M 8.74 3.92 0.00 1.97 2.18 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.67 0.00 68 L 7.75 4.58 0.00 1.66 1.59 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 69 N 8.50 4.54 0.00 2.61 2.60 0.00 0.00 7.09 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 * Residues marked with a * may have inaccurate shift predictions.