NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 S 4.4807 8.3344 116.8045 58.3494 64.8142 173.0462 8 D 4.8503 7.9890 119.9561 51.6043 43.0599 173.9269 9 F 5.5262 8.8168 117.7526 55.3032 42.0527 173.5279 10 V 4.6909 9.2299 112.6568 59.6370 35.3519 174.7662 11 V 4.8330 8.6626 123.9724 61.3903 33.7175 174.4501 12 I 4.9032 8.9777 128.7964 59.4512 40.5178 174.1429 13 K 5.0502 9.2737 129.2434 54.4278 34.5385 174.8215 14 A 4.6190 8.8396 130.0212 51.9296 19.1902 177.6217 15 L 4.5699 9.2437 122.7888 55.1773 42.7311 175.8337 16 E 4.8041 7.8049 115.4380 54.5298 33.1675 174.6840 17 D 4.6028 8.7314 119.3494 54.9297 41.5358 176.0600 18 G 3.8739 8.3519 107.0990 46.7276 0.0000 174.4279 19 V 3.9619 7.8246 119.2860 62.3498 33.2214 174.1276 20 N 5.2386 9.3918 126.0717 51.9257 41.0861 173.2825 21 V 4.5589 8.7778 127.6653 61.5896 33.1077 173.9379 22 I 4.7061 8.9614 130.3170 59.6533 38.8446 175.2257 23 G 4.3429 9.6337 116.1958 45.0476 0.0000 172.2830 24 L 5.2326 8.9790 125.0033 53.3353 43.8311 177.5601 25 T 4.8909 8.9199 112.9711 63.3076 70.0944 176.2154 26 R 3.4816 7.6983 121.3823 58.8010 30.1596 176.5332 *32 F 4.7762 7.8626 117.0543 58.1056 41.9829 173.9838 33 H 4.7544 8.3227 117.5690 56.5824 35.9284 173.7385 34 H 4.2253 9.5753 122.9987 57.1356 31.3662 174.1190 35 S 4.8135 8.4610 120.5678 57.1244 64.5526 173.2671 36 E 4.4597 8.2684 124.4354 54.9678 32.5045 174.2348 37 K 4.7555 8.6766 127.0857 56.1189 33.4448 176.5448 38 L 4.9757 9.0686 123.6072 53.1440 45.4720 175.4060 39 D 5.1697 10.0823 123.6213 51.8817 43.8623 175.8226 40 K 3.9868 8.7762 122.2716 58.8512 32.2021 177.0032 41 G 4.0137 9.3869 115.9024 45.0289 0.0000 173.2206 42 E 4.3146 8.2930 119.9486 56.1423 30.9379 175.9247 43 V 4.9079 8.2744 121.6899 61.0200 34.4451 174.1897 44 L 4.7070 9.1105 129.8049 53.2983 44.7429 174.9022 45 I 4.8636 8.4775 126.7363 59.8576 38.6623 174.4676 46 A 4.7005 9.1528 130.2768 50.0585 21.1626 175.0442 47 Q 5.0451 8.4849 123.1363 54.1984 31.6945 174.8615 48 F 4.4711 8.7693 124.4946 57.5348 39.5878 175.9007 49 T 4.5526 8.4584 114.8902 59.8387 71.0793 174.3581 50 E 4.1540 8.7668 118.6601 59.8330 30.0420 177.8089 51 H 4.0658 8.5301 116.5763 57.9246 28.8573 174.2751 52 T 5.0258 7.5352 115.3726 61.7584 68.9302 173.9860 53 S 4.5134 8.9021 122.4514 60.5619 63.8480 174.5895 54 A 5.1487 8.0771 120.4747 49.7303 22.9447 174.7108 55 I 4.9665 8.5321 119.3556 59.4085 40.4889 174.8078 56 K 4.5900 9.2989 128.8259 54.5615 34.6094 174.8607 57 V 4.8153 8.4279 126.5934 61.2239 33.7515 174.2362 58 R 4.4800 9.1890 129.3930 54.7759 32.0838 174.6997 59 G 4.1102 8.8598 111.2701 42.9927 0.0000 172.8538 60 K 4.5612 8.9275 121.2128 56.0583 32.6359 175.4928 61 A 5.1335 9.0676 128.8012 50.6185 23.5553 173.6142 62 Y 5.0228 9.2047 121.5493 56.0565 41.0131 174.5131 63 I 4.9295 8.6578 127.6387 59.5093 40.5520 174.3867 64 Q 4.9060 9.2991 126.2643 54.2525 31.3347 174.9237 65 T 4.8713 8.5621 113.0335 59.2888 72.4270 174.6700 66 R 3.6493 8.5748 121.3913 59.7319 29.8132 176.3881 67 H 4.6729 7.5681 112.4909 55.5708 28.9435 174.2139 68 G 3.7228 8.0782 107.0940 44.2495 0.0000 173.3715 69 V 4.5887 7.7723 111.1414 60.5085 33.6883 175.5661 70 I 4.4468 8.0874 120.6912 60.0813 41.8601 172.5456 71 E 5.2409 8.7905 128.3715 54.4116 31.8549 174.8992 72 S 4.6237 9.2296 122.2915 57.3412 65.1860 173.2659 73 E 4.9986 8.7049 124.2536 53.9123 29.0009 174.7591 74 G 3.7795 8.5149 112.3971 46.6263 0.0000 171.5376 75 K 4.3413 8.4230 124.4914 54.5772 32.8876 173.8686 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 7 S 8.33 4.48 0.00 3.92 4.03 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 0.00 0.00 0.00 8 D 7.99 4.85 0.00 2.80 2.57 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 0.00 0.00 0.00 0.00 9 F 8.82 5.53 0.00 3.16 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 9.23 4.69 2.08 0.00 0.00 0.00 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 0.88 0.00 0.00 11 V 8.66 4.83 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 1.07 0.00 0.00 1.17 0.00 0.00 12 I 8.98 4.90 1.88 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 1.10 0.56 0.92 0.00 0.00 13 K 9.27 5.05 0.00 1.88 1.82 0.00 1.69 0.00 0.00 1.69 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.41 7.81 14 A 8.84 4.62 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 15 L 9.24 4.57 0.00 1.58 1.73 0.94 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 16 E 7.80 4.80 0.00 1.90 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 2.17 2.33 0.00 17 D 8.73 4.60 0.00 2.69 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 18 G 8.35 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 0.00 0.00 0.00 19 V 7.82 3.96 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 0.99 0.00 0.00 1.00 0.00 0.00 20 N 9.39 5.24 0.00 2.79 2.63 0.00 0.00 6.61 7.75 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 21 V 8.78 4.56 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 0.88 0.00 0.00 0.92 0.00 0.00 22 I 8.96 4.71 1.89 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 1.15 0.43 0.93 0.00 0.00 23 G 9.63 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 0.00 0.00 0.00 0.00 24 L 8.98 5.23 0.00 1.88 1.64 1.01 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.92 4.89 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 1.35 0.00 0.00 26 R 7.70 3.48 0.00 0.98 1.74 0.00 3.16 0.00 0.00 2.89 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.58 0.00 *32 F 7.86 4.78 0.00 3.01 3.24 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 33 H 8.32 4.75 0.00 3.26 3.05 0.00 6.02 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 H 9.58 4.23 0.00 3.33 3.27 0.00 5.90 0.00 0.00 0.00 0.00 6.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.46 4.81 0.00 3.88 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 36 E 8.27 4.46 0.00 2.00 1.78 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 2.18 2.31 0.00 37 K 8.68 4.76 0.00 1.93 1.71 0.00 1.86 0.00 0.00 1.70 0.00 0.00 2.64 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.43 1.04 7.81 38 L 9.07 4.98 0.00 1.51 1.51 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 39 D 10.08 5.17 0.00 2.78 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 40 K 8.78 3.99 0.00 1.73 1.91 0.00 1.78 0.00 0.00 1.70 0.00 0.00 3.11 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.47 1.44 7.81 41 G 9.39 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 0.00 0.00 0.00 42 E 8.29 4.31 0.00 2.10 1.88 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 2.33 2.26 0.00 43 V 8.27 4.91 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 0.80 0.00 0.00 0.96 0.00 0.00 44 L 9.11 4.71 0.00 1.73 1.46 0.91 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.48 4.86 1.72 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 1.22 0.91 0.60 0.00 0.00 46 A 9.15 4.70 1.11 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 0.00 0.00 47 Q 8.48 5.05 0.00 2.09 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.91 0.00 0.00 0.00 0.00 0.00 2.37 2.61 0.00 48 F 8.77 4.47 0.00 3.07 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.46 4.55 4.30 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 0.00 0.00 0.00 1.23 0.00 0.00 50 E 8.77 4.15 0.00 2.11 2.15 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 2.34 2.35 0.00 51 H 8.53 4.07 0.00 3.28 3.46 0.00 5.76 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 7.54 5.03 4.33 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 1.27 0.00 0.00 53 S 8.90 4.51 0.00 3.90 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.08 5.15 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 55 I 8.53 4.97 1.82 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.57 0.86 0.00 0.00 56 K 9.30 4.59 0.00 1.80 1.66 0.00 1.60 0.00 0.00 1.60 0.00 0.00 2.82 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.37 7.81 57 V 8.43 4.82 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 0.85 0.00 0.00 0.93 0.00 0.00 58 R 9.19 4.48 0.00 1.91 1.75 0.00 3.13 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.55 0.00 59 G 8.86 4.11 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 0.00 0.00 0.00 60 K 8.93 4.56 0.00 1.94 1.96 0.00 1.51 0.00 0.00 1.66 0.00 0.00 3.11 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.35 1.47 7.81 61 A 9.07 5.13 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 62 Y 9.20 5.02 0.00 2.99 2.86 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 63 I 8.66 4.93 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.69 0.89 0.00 0.00 64 Q 9.30 4.91 0.00 1.91 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.60 0.00 0.00 0.00 0.00 0.00 2.04 2.08 0.00 65 T 8.56 4.87 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 1.18 0.00 0.00 66 R 8.57 3.65 0.00 1.58 1.78 0.00 3.18 0.00 0.00 3.15 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 67 H 7.57 4.67 0.00 3.14 3.25 0.00 5.68 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 8.08 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 0.00 0.00 0.00 69 V 7.77 4.59 1.59 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 0.69 0.00 0.00 1.01 0.00 0.00 70 I 8.09 4.45 1.84 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 1.11 1.11 0.86 0.00 0.00 71 E 8.79 5.24 0.00 2.12 1.85 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 2.24 2.37 0.00 72 S 9.23 4.62 0.00 3.90 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 73 E 8.70 5.00 0.00 1.86 1.94 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 2.23 2.29 0.00 74 G 8.51 3.78 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 0.00 0.00 0.00 75 K 8.42 4.34 0.00 1.73 1.51 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.24 0.96 7.81 * Residues marked with a * may have inaccurate shift predictions.