NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8205 8.3549 109.7362 45.2702 0.0000 173.3830 2 K 4.1723 8.3247 120.2715 52.5107 32.3108 175.0430 3 K 4.2177 8.2666 124.6032 56.0255 34.7119 177.5374 4 S 4.4778 8.3450 117.8487 57.2541 65.5699 175.2448 5 K 3.8770 8.4475 121.4644 59.5368 31.8648 178.3315 6 A 3.9363 7.9094 120.4014 55.6971 18.4206 179.2757 7 T 3.8020 7.6787 113.8249 66.9295 68.4826 176.6365 8 K 3.9366 7.8577 120.7825 59.4763 32.2911 179.0855 9 K 4.0887 7.9791 118.7934 59.3976 31.8365 179.6839 10 R 3.9007 8.2022 118.3886 59.3299 30.2142 178.7870 11 L 3.9846 8.0831 118.6253 57.8419 41.5871 179.5922 12 A 3.9589 8.4920 120.8201 55.1029 18.3842 179.5161 13 K 3.8572 8.1561 118.1419 59.7740 32.0233 178.8705 14 L 4.2522 8.0784 119.8845 57.1605 41.7573 178.8366 15 D 4.4505 7.9554 117.8387 57.4352 41.3851 177.8579 16 N 4.3451 8.1699 117.5557 56.6715 38.9476 176.5453 17 Q 4.1847 8.3173 118.7887 57.9417 28.5774 177.5431 18 N 4.6633 7.9988 116.8760 53.8398 39.0392 175.6431 19 S 4.2988 7.0820 114.7075 57.7454 63.7879 174.1323 20 R 4.0449 8.1091 121.7054 55.5846 30.5984 176.2386 21 V 3.5712 8.0454 122.1070 61.6309 31.7269 174.0865 22 P 4.1599 0.0000 0.0000 62.9414 31.7149 176.7538 23 A 3.9895 8.7966 122.0203 55.3831 18.1698 180.2209 24 W 4.3312 8.2376 114.4776 59.8029 28.0141 178.4768 25 V 3.3980 6.8384 119.1881 65.7727 30.8148 177.7588 26 M 3.9609 7.7246 118.1340 58.4047 31.7326 178.5264 27 L 4.0080 7.9269 118.2712 57.7862 41.6881 179.4426 28 K 4.0375 8.2081 118.3755 59.6690 32.3729 178.2022 29 T 4.2351 8.3110 106.6259 61.1065 69.3387 173.8386 30 D 4.3002 8.4630 120.3579 55.6144 39.2564 170.9297 31 R 3.5062 7.7225 121.6900 55.6565 30.5654 177.0967 *35 R 3.8015 8.1792 119.7724 56.3549 29.9890 173.2665 36 N 4.5383 7.8631 121.7687 51.7535 38.1943 174.8794 37 H 4.5036 8.3357 119.1968 56.6853 28.5498 176.0473 38 K 4.6967 7.8357 118.9338 55.9910 33.0151 176.7279 39 R 4.1457 8.0934 117.5869 56.0863 30.7426 176.3900 40 R 4.5895 8.3100 121.1278 54.7302 33.3881 173.5045 41 H 5.0126 8.4843 124.0135 53.6803 32.1140 174.9536 42 W 4.2193 8.6906 123.3151 59.8189 28.0300 177.5904 43 R 3.7024 6.1046 117.8013 58.7507 29.7040 177.4286 44 R 3.8706 7.7501 115.0793 59.1660 30.1048 177.2067 45 N 4.6895 7.7133 112.9366 52.0007 40.2097 174.1648 46 D 4.5426 8.1605 117.8879 52.8589 43.0419 174.9603 47 T 4.1903 8.3512 116.8135 61.1686 69.6940 173.8497 48 D 4.4952 8.1554 121.7543 55.1103 41.6666 176.6867 49 E 4.1662 8.7002 119.2825 56.8225 28.8642 174.9213 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 1 G 8.35 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 2 K 8.32 4.17 0.00 1.83 1.78 0.00 1.76 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.43 7.81 3 K 8.27 4.22 0.00 1.86 1.81 0.00 1.56 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.42 7.81 4 S 8.35 4.48 0.00 4.07 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 5 K 8.45 3.88 0.00 1.84 1.84 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.51 1.51 7.81 6 A 7.91 3.94 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 7 T 7.68 3.80 4.47 0.00 0.00 0.00 0.00 0.00 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 8 K 7.86 3.94 0.00 2.03 1.99 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.47 7.81 9 K 7.98 4.09 0.00 2.01 1.85 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.49 7.81 10 R 8.20 3.90 0.00 2.04 1.97 0.00 3.33 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.81 0.00 11 L 8.08 3.98 0.00 1.85 1.74 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 12 A 8.49 3.96 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 13 K 8.16 3.86 0.00 1.91 2.00 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.61 1.49 7.81 14 L 8.08 4.25 0.00 1.85 1.74 0.93 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 15 D 7.96 4.45 0.00 2.83 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 16 N 8.17 4.35 0.00 2.86 2.90 0.00 0.00 7.29 6.78 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 17 Q 8.32 4.18 0.00 2.30 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.62 0.00 0.00 0.00 0.00 0.00 2.38 2.63 0.00 18 N 8.00 4.66 0.00 2.88 2.89 0.00 0.00 6.98 7.19 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 19 S 7.08 4.30 0.00 4.01 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 20 R 8.11 4.04 0.00 1.77 1.83 0.00 3.21 0.00 0.00 3.12 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.57 0.00 21 V 8.05 3.57 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 0.69 0.00 0.00 0.86 0.00 0.00 22 P 0.00 4.16 0.00 1.57 2.04 0.00 3.50 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 1.26 1.57 0.00 23 A 8.80 3.99 1.39 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 0.00 0.00 0.00 0.00 0.00 24 W 8.24 4.33 0.00 3.53 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 25 V 6.84 3.40 1.80 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 0.69 0.00 0.00 -0.26 0.00 0.00 26 M 7.72 3.96 0.00 2.04 2.22 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.65 0.00 27 L 7.93 4.01 0.00 1.89 1.78 1.00 0.62 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 28 K 8.21 4.04 0.00 2.06 2.21 0.00 2.08 0.00 0.00 2.11 0.00 0.00 3.20 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.57 1.56 7.81 29 T 8.31 4.24 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 1.29 0.00 0.00 30 D 8.46 4.30 0.00 2.76 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 31 R 7.72 3.51 0.00 1.96 1.90 0.00 3.19 0.00 0.00 3.14 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.55 0.00 *35 R 8.18 3.80 0.00 1.73 1.78 0.00 3.23 0.00 0.00 3.24 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.59 0.00 36 N 7.86 4.54 0.00 2.76 2.65 0.00 0.00 7.10 7.89 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 37 H 8.34 4.50 0.00 3.16 3.32 0.00 5.89 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 K 7.84 4.70 0.00 1.73 1.76 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.38 7.81 39 R 8.09 4.15 0.00 1.79 1.86 0.00 3.13 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 1.62 1.81 0.00 40 R 8.31 4.59 0.00 1.72 1.76 0.00 3.23 0.00 0.00 3.17 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 41 H 8.48 5.01 0.00 3.13 2.98 0.00 5.93 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 W 8.69 4.22 0.00 3.51 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 43 R 6.10 3.70 0.00 0.67 1.30 0.00 2.46 0.00 0.00 2.90 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.26 0.00 44 R 7.75 3.87 0.00 1.76 1.91 0.00 3.32 0.00 0.00 3.09 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.47 0.00 45 N 7.71 4.69 0.00 2.86 2.77 0.00 0.00 6.84 7.47 0.00 0.00 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 8.16 4.54 0.00 2.57 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 8.35 4.19 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 1.24 0.00 0.00 48 D 8.16 4.50 0.00 2.70 2.64 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 0.00 0.00 0.00 0.00 49 E 8.70 4.17 0.00 2.10 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 0.00 2.17 2.27 0.00 * Residues marked with a * may have inaccurate shift predictions.