NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 A 4.2770 8.2601 123.5776 52.3953 18.7635 175.5594 5 A 4.2805 8.3452 121.7031 52.7945 21.8832 173.9872 6 D 4.4623 8.6303 119.6502 55.2965 39.6018 171.9160 7 T 4.5184 7.6408 107.9818 59.0323 70.4942 172.5640 8 P 4.2230 0.0000 0.0000 63.5051 31.8943 175.4965 9 T 4.5375 8.2616 111.6750 59.6092 70.7017 174.0843 10 A 4.3642 8.4654 127.7108 52.1151 19.4205 177.4657 11 C 4.8390 8.3480 117.9663 55.2596 44.2844 174.1524 12 C 4.7306 8.2178 120.1312 55.3611 41.4121 173.7323 13 F 4.5088 8.4801 121.5431 57.1916 40.9564 175.3917 14 S 4.4683 7.6101 112.8448 56.4328 65.9644 172.5736 15 Y 5.0485 7.9052 118.0934 55.9680 40.7322 175.8444 16 T 4.1111 8.7766 117.9776 62.7673 67.8690 174.0210 17 S 4.8026 8.6886 119.3766 57.7936 64.8922 173.9835 18 R 4.4140 7.7150 117.7719 53.9679 30.8941 175.7962 19 Q 2.5200 7.9260 122.8618 55.2689 29.4731 175.6468 20 I 3.6946 6.5772 126.0916 59.9243 38.0593 174.0818 21 P 3.9185 0.0000 0.0000 62.5960 31.6746 176.9811 22 Q 3.4999 8.7625 124.9142 58.9846 28.9148 177.3307 23 N 4.8018 7.9126 112.1348 53.1606 37.7791 175.5161 24 F 4.6317 8.6281 119.6314 59.4329 39.6251 175.8749 25 I 4.2722 7.6045 121.6718 61.1682 37.2870 175.3525 26 A 4.6848 8.9395 126.8941 52.9206 21.2788 175.2020 27 D 4.7357 8.0312 113.2557 54.8625 44.8298 173.8448 28 Y 5.5354 8.4661 116.7183 56.1479 40.7902 173.5442 29 F 4.6921 8.7615 115.0885 55.5620 42.2478 172.6284 30 E 5.0379 8.7194 118.8042 54.8586 30.7671 176.5568 31 T 4.2951 8.7702 115.1972 61.1345 70.0469 174.5303 32 S 4.2312 8.8118 117.6127 58.6504 62.8587 175.5224 33 S 4.3208 8.5266 119.8256 60.6562 63.1246 175.5283 34 Q 4.1032 8.1347 120.3221 58.7923 28.6208 176.4854 35 C 4.5816 7.6602 114.7634 56.3980 40.8573 173.9909 36 S 4.2172 8.7343 116.8808 60.5970 62.8948 174.7577 37 K 4.6879 7.4743 118.0408 53.3272 34.5432 174.1124 38 P 4.4960 0.0000 0.0000 62.8602 32.2915 176.0427 39 G 4.2299 8.0074 105.1667 45.3907 0.0000 172.0903 40 V 4.6442 8.1908 121.8457 60.6784 34.4951 174.2649 41 I 4.6308 8.1072 128.6974 59.5912 38.9936 174.8539 42 F 5.1810 8.9958 126.7741 56.7384 41.0311 174.9327 43 L 5.2683 9.0896 123.1724 53.2444 43.7190 176.7201 44 T 4.6891 9.0616 115.5790 60.9699 70.0966 176.0577 45 K 4.0344 8.7656 121.4144 59.6363 32.0394 178.7579 46 R 4.1952 7.9363 114.8667 56.2147 29.7483 176.5318 47 S 3.9546 7.9636 112.4179 59.3585 60.9684 171.2636 48 R 4.2574 7.8449 121.1959 56.4439 30.9975 175.0945 49 Q 5.2811 8.6911 124.2616 54.3573 31.1424 175.1469 50 V 4.5334 8.8306 122.7317 61.3406 35.2173 173.5582 51 C 5.0284 9.0009 125.2171 56.6793 39.4840 172.4608 52 A 5.1562 9.2291 125.1402 49.9172 23.0408 174.5999 53 D 3.4153 7.9785 119.1727 52.1133 41.3201 175.7868 54 P 4.0388 0.0000 0.0000 65.1765 31.4682 177.4957 55 S 4.2971 7.7702 110.7113 58.4290 63.2452 173.8463 56 E 4.5299 7.3540 121.7007 54.5890 32.5180 176.3841 57 E 3.9295 8.4616 124.8657 59.2683 29.6692 179.7178 58 W 4.2583 7.9753 116.6057 59.3039 28.0996 178.6988 59 V 3.0503 6.3359 118.8703 64.3500 30.9233 177.9308 60 Q 3.9999 7.4029 117.5361 58.5703 28.7652 178.3407 61 K 4.2174 8.0704 120.7235 59.5254 32.3395 178.9583 62 Y 4.2978 8.2941 114.6830 58.5283 37.4991 177.9482 *64 S 4.3461 7.9973 115.7653 58.5372 63.8305 175.4480 65 D 4.4167 8.4038 120.3380 57.4985 40.1898 178.9998 66 L 4.1283 7.6437 118.1861 57.7538 41.7035 179.0890 67 E 4.2093 8.1457 117.2975 59.4106 29.6222 178.5104 68 L 4.1048 8.0857 118.6777 57.4480 41.7703 178.0908 69 S 4.5309 7.6345 116.4229 58.4985 63.4138 173.7946 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 4 A 8.26 4.28 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.35 4.28 1.22 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 0.00 0.00 6 D 8.63 4.46 0.00 2.82 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.64 4.52 4.23 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 1.21 0.00 0.00 8 P 0.00 4.22 0.00 2.08 2.09 0.00 3.65 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.12 0.00 9 T 8.26 4.54 4.25 0.00 0.00 0.00 0.00 0.00 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 10 A 8.47 4.36 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 11 C 8.35 4.84 0.00 2.70 2.33 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 12 C 8.22 4.73 0.00 2.82 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 F 8.48 4.51 0.00 2.98 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 14 S 7.61 4.47 0.00 3.87 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 15 Y 7.91 5.05 0.00 2.99 2.83 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 16 T 8.78 4.11 4.41 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 1.59 0.00 0.00 17 S 8.69 4.80 0.00 4.04 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 18 R 7.71 4.41 0.00 1.82 1.92 0.00 3.03 0.00 0.00 3.14 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.49 0.00 19 Q 7.93 2.52 0.00 0.93 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.98 0.00 0.00 0.00 0.00 0.00 1.72 1.16 0.00 20 I 6.58 3.69 1.82 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.60 0.91 0.00 0.00 21 P 0.00 3.92 0.00 0.49 1.34 0.00 2.99 0.00 0.00 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 1.55 0.00 22 Q 8.76 3.50 0.00 1.51 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 7.05 0.00 0.00 0.00 0.00 0.00 2.15 1.88 0.00 23 N 7.91 4.80 0.00 2.94 2.91 0.00 0.00 6.02 7.43 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 24 F 8.63 4.63 0.00 3.11 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 25 I 7.60 4.27 1.92 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.62 1.08 0.00 0.00 26 A 8.94 4.68 1.33 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 0.00 0.00 27 D 8.03 4.74 0.00 2.86 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.47 5.54 0.00 2.74 3.16 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 0.00 0.00 0.00 0.00 29 F 8.76 4.69 0.00 2.97 2.90 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 30 E 8.72 5.04 0.00 1.92 1.92 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 2.30 2.46 0.00 31 T 8.77 4.30 4.34 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 1.12 0.00 0.00 32 S 8.81 4.23 0.00 3.89 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 33 S 8.53 4.32 0.00 4.02 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 Q 8.13 4.10 0.00 2.06 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.96 0.00 0.00 0.00 0.00 0.00 2.40 2.34 0.00 35 C 7.66 4.58 0.00 3.12 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 36 S 8.73 4.22 0.00 4.05 4.10 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.47 4.69 0.00 1.77 1.80 0.00 1.80 0.00 0.00 1.68 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.37 1.41 7.81 38 P 0.00 4.50 0.00 2.00 1.95 0.00 3.83 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 39 G 8.01 4.23 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 0.00 0.00 0.00 40 V 8.19 4.64 1.58 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 0.19 0.00 0.00 0.68 0.00 0.00 41 I 8.11 4.63 0.56 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.12 0.75 0.00 0.00 42 F 9.00 5.18 0.00 3.14 3.06 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 43 L 9.09 5.27 0.00 1.74 1.71 1.17 1.01 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 44 T 9.06 4.69 4.42 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 1.43 0.00 0.00 45 K 8.77 4.03 0.00 1.74 1.90 0.00 1.86 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.49 1.45 7.81 46 R 7.94 4.20 0.00 1.79 1.94 0.00 3.24 0.00 0.00 3.17 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.55 0.00 47 S 7.96 3.95 0.00 4.08 4.02 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 48 R 7.84 4.26 0.00 1.99 1.87 0.00 3.11 0.00 0.00 3.21 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.66 0.00 49 Q 8.69 5.28 0.00 2.03 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.47 0.00 0.00 0.00 0.00 0.00 2.40 2.42 0.00 50 V 8.83 4.53 2.33 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 1.25 0.00 0.00 1.08 0.00 0.00 51 C 9.00 5.03 0.00 2.98 3.16 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 0.00 0.00 0.00 0.00 52 A 9.23 5.16 1.06 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 0.00 0.00 53 D 7.98 3.42 0.00 1.88 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 0.00 0.00 0.00 54 P 0.00 4.04 0.00 1.91 1.93 0.00 3.33 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.88 0.00 55 S 7.77 4.30 0.00 3.92 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 56 E 7.35 4.53 0.00 1.87 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 1.96 2.27 0.00 57 E 8.46 3.93 0.00 2.14 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 2.40 2.40 0.00 58 W 7.98 4.26 0.00 3.28 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 59 V 6.34 3.05 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 -0.29 0.00 0.00 0.60 0.00 0.00 60 Q 7.40 4.00 0.00 2.14 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 7.00 0.00 0.00 0.00 0.00 0.00 2.33 2.31 0.00 61 K 8.07 4.22 0.00 2.03 2.17 0.00 1.88 0.00 0.00 1.72 0.00 0.00 3.06 0.00 0.00 3.33 0.00 0.00 0.00 0.00 1.50 1.70 7.81 62 Y 8.29 4.30 0.00 3.19 2.84 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 *64 S 8.00 4.35 0.00 3.87 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 65 D 8.40 4.42 0.00 2.64 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 66 L 7.64 4.13 0.00 1.82 1.97 1.24 0.87 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 67 E 8.15 4.21 0.00 2.12 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 2.48 2.45 0.00 68 L 8.09 4.10 0.00 1.78 1.77 0.93 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 69 S 7.63 4.53 0.00 4.07 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 * Residues marked with a * may have inaccurate shift predictions.