NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4673 8.3049 120.3243 54.1458 34.9297 176.5208 2 Q 4.0975 7.6621 116.8349 57.7700 29.9516 176.6815 3 L 3.9944 7.9656 119.7422 57.7040 41.8320 179.2664 4 V 3.6537 7.6527 117.0787 65.6127 31.9318 177.6929 5 L 4.0996 7.6923 118.4088 57.4198 41.4874 178.9853 6 A 3.7655 7.8670 120.4283 55.1242 18.4722 179.4637 7 A 4.1247 8.3370 118.7057 54.1455 18.5725 179.6313 8 K 4.0231 7.7200 117.8418 59.6370 32.3487 178.5443 9 Y 4.1301 8.1264 117.0126 60.9686 37.8160 178.0900 10 I 3.9106 7.8919 120.5337 64.2737 37.4895 178.4340 11 G 3.6948 8.3008 106.4114 47.8029 0.0000 175.5065 12 A 4.2499 7.7574 121.9750 54.6896 18.7144 179.6595 13 G 3.6614 7.9099 103.9896 47.9455 0.0000 176.1860 14 I 3.8621 8.2177 122.3357 63.9231 36.9397 178.4658 15 S 4.3674 7.7581 114.5667 61.0972 62.7858 176.1474 16 T 4.0278 7.7936 117.8025 65.6086 68.2510 176.7651 17 I 3.9050 7.5257 121.1814 64.0403 36.9945 178.3468 18 G 3.7545 7.7617 106.1859 47.5239 0.0000 175.4544 19 L 4.1887 7.9196 120.2645 56.8532 41.6775 178.8474 20 L 4.0501 7.9058 121.3132 58.0786 41.9174 179.2678 21 G 3.5619 8.0017 105.0078 47.8723 0.0000 175.6874 22 A 4.1994 8.0507 123.2215 54.3082 18.2309 179.8814 23 G 3.5630 8.4340 104.8918 48.2038 0.0000 176.1572 24 I 3.8144 7.7899 122.4391 63.6027 36.9452 178.5563 25 G 3.7654 8.2543 106.7902 48.0277 0.0000 175.4950 26 I 3.9195 7.8980 122.4230 64.0796 37.2307 178.0722 27 A 4.1172 7.6029 121.0270 55.4980 18.2797 179.6136 28 I 3.6646 7.8178 117.9659 64.6479 37.2814 178.8666 29 V 3.6029 7.6506 118.8133 66.1891 31.4244 178.1482 30 F 4.0673 8.5803 117.3163 60.2032 38.6853 177.5996 31 A 4.0360 8.7461 120.8558 55.2775 18.2780 179.6387 32 A 4.0376 8.0066 118.7449 54.8775 18.2385 179.6815 33 L 3.9506 7.8426 119.5689 58.2082 42.0491 179.0899 34 I 3.8552 7.8789 112.9985 63.7630 37.4959 177.9494 35 N 4.4994 8.1500 117.9493 55.9735 38.6726 177.3535 36 G 3.7031 8.3377 107.2517 47.1540 0.0000 175.2362 37 V 4.0374 7.5385 119.0325 63.9173 31.5557 177.0825 38 S 4.6108 7.4792 112.9517 59.7380 62.6756 174.3849 39 R 4.2768 7.2290 118.8746 56.0326 32.4627 176.5926 40 N 4.3527 7.9727 114.3653 51.8347 37.5931 172.1010 41 P 4.5947 0.0000 0.0000 63.6960 31.4938 176.0946 42 S 4.5577 7.5752 114.8664 58.0840 63.7029 175.3421 43 I 3.6932 7.3908 120.9508 63.9808 37.9837 174.8142 44 K 4.1947 8.2039 119.9741 56.7619 33.6164 175.8233 45 D 4.5676 9.0593 125.4180 54.9517 40.8287 170.6601 46 T 3.5251 7.8641 118.4138 64.7231 67.3391 174.2514 47 V 3.8547 7.6817 119.9292 65.9343 32.1335 178.6153 48 F 4.4239 7.7260 118.2766 60.7884 39.0734 175.2102 49 P 4.3160 0.0000 0.0000 64.8439 31.3563 177.1363 50 M 4.4385 7.7535 116.1746 55.4475 33.1867 178.0608 51 A 3.8017 7.6603 121.6121 55.1841 18.6784 179.4760 52 I 3.9255 7.1076 116.7704 63.1951 37.3714 178.0696 53 L 4.0600 7.7898 121.6689 57.9184 41.5282 178.8948 54 G 3.5963 8.2199 106.0357 47.4141 0.0000 175.6392 55 F 4.2554 8.1802 122.8087 61.0723 39.4341 177.1465 56 A 3.3790 8.0782 120.4038 55.0116 18.0207 179.5270 57 L 4.0084 7.5278 115.1288 56.7847 41.5190 178.5050 58 S 4.4938 7.4887 111.7496 58.8035 63.0629 174.5439 59 E 3.8917 7.8513 120.5168 57.0113 29.4233 177.2347 60 A 3.9945 7.6004 119.8314 54.9365 18.2664 179.7364 61 T 4.0433 7.4703 114.8806 66.8366 68.6363 177.1000 62 G 3.6162 7.9096 107.0947 47.7333 0.0000 175.5559 63 L 4.1138 7.9045 121.2763 57.4470 41.4689 179.1840 64 F 4.6551 7.7910 116.2992 59.5136 38.6544 176.3526 65 C 4.4687 7.7246 118.5104 61.2220 32.0833 175.1000 66 L 4.2520 8.4994 121.8858 57.6472 41.6089 178.5908 67 M 4.0866 7.8143 118.1556 58.7914 32.1065 178.3007 68 V 3.7234 7.8712 118.1278 65.5416 31.5282 178.1075 69 S 4.1508 7.6525 112.6281 61.5250 63.1990 176.2910 70 F 4.0487 8.4279 119.9519 59.1834 38.7135 177.2250 71 L 4.2269 8.0531 120.0918 57.6432 41.9129 177.7403 72 L 4.5774 7.3230 116.7689 55.7664 42.1788 176.0862 73 L 4.2895 7.4960 123.0233 54.4127 44.8063 176.7236 *74 F 4.4330 8.6331 115.5031 57.2345 38.6392 170.5150 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 M 8.30 4.47 0.00 2.01 2.05 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.56 0.00 2 Q 7.66 4.10 0.00 2.10 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.86 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 3 L 7.97 3.99 0.00 1.66 1.70 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 4 V 7.65 3.65 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 0.88 0.00 0.00 0.95 0.00 0.00 5 L 7.69 4.10 0.00 1.80 1.44 0.88 0.87 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 6 A 7.87 3.77 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 7 A 8.34 4.12 1.34 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 8 K 7.72 4.02 0.00 2.32 2.21 0.00 1.70 0.00 0.00 1.77 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.80 1.54 7.81 9 Y 8.13 4.13 0.00 3.08 2.96 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 0.00 0.00 0.00 0.00 10 I 7.89 3.91 1.90 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 1.60 0.74 0.93 0.00 0.00 11 G 8.30 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.76 4.25 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 13 G 7.91 3.66 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 0.00 0.00 0.00 14 I 8.22 3.86 1.88 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 1.65 1.40 0.92 0.00 0.00 15 S 7.76 4.37 0.00 4.10 3.94 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 16 T 7.79 4.03 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 1.24 0.00 0.00 17 I 7.53 3.91 2.01 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 1.46 0.44 0.92 0.00 0.00 18 G 7.76 3.75 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 0.00 0.00 0.00 19 L 7.92 4.19 0.00 1.92 1.76 0.96 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 20 L 7.91 4.05 0.00 1.86 1.76 0.93 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 21 G 8.00 3.56 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 A 8.05 4.20 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 23 G 8.43 3.56 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 I 7.79 3.81 2.04 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.54 0.94 0.00 0.00 25 G 8.25 3.77 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 0.00 0.00 0.00 26 I 7.90 3.92 2.01 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.35 1.21 0.00 0.00 27 A 7.60 4.12 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.82 3.66 2.10 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 1.44 1.26 0.94 0.00 0.00 29 V 7.65 3.60 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 0.94 0.00 0.00 0.95 0.00 0.00 30 F 8.58 4.07 0.00 3.36 3.12 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.75 4.04 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 32 A 8.01 4.04 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 33 L 7.84 3.95 0.00 1.81 1.93 1.08 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 34 I 7.88 3.86 1.90 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.87 1.04 0.00 0.00 35 N 8.15 4.50 0.00 2.90 2.93 0.00 0.00 6.98 7.81 0.00 0.00 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 G 8.34 3.70 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 0.00 37 V 7.54 4.04 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 0.98 0.00 0.00 0.92 0.00 0.00 38 S 7.48 4.61 0.00 3.96 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 39 R 7.23 4.28 0.00 1.99 1.91 0.00 3.25 0.00 0.00 3.47 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00 40 N 7.97 4.35 0.00 2.90 2.92 0.00 0.00 7.07 8.17 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 41 P 0.00 4.59 0.00 2.15 2.14 0.00 3.49 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 1.96 2.06 0.00 42 S 7.58 4.56 0.00 4.03 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 43 I 7.39 3.69 1.81 0.00 0.00 0.69 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 1.08 0.93 0.00 0.00 44 K 8.20 4.19 0.00 1.71 1.69 0.00 1.84 0.00 0.00 1.61 0.00 0.00 3.06 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.52 7.81 45 D 9.06 4.57 0.00 2.88 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.86 3.53 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 47 V 7.68 3.85 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.94 0.00 0.00 48 F 7.73 4.42 0.00 3.29 3.05 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 0.00 0.00 0.00 0.00 49 P 0.00 4.32 0.00 2.06 2.11 0.00 3.82 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.23 0.00 50 M 7.75 4.44 0.00 1.96 2.05 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.50 0.00 51 A 7.66 3.80 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.11 3.93 1.60 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 -0.19 0.98 0.00 0.00 53 L 7.79 4.06 0.00 1.81 1.73 0.96 1.06 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 54 G 8.22 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 F 8.18 4.26 0.00 3.34 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 56 A 8.08 3.38 1.30 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 0.00 0.00 0.00 57 L 7.53 4.01 0.00 1.58 1.71 0.90 1.14 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 58 S 7.49 4.49 0.00 3.98 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 59 E 7.85 3.89 0.00 1.48 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 2.19 2.30 0.00 60 A 7.60 3.99 1.28 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 0.00 0.00 0.00 61 T 7.47 4.04 4.39 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 1.24 0.00 0.00 62 G 7.91 3.62 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 0.00 0.00 0.00 63 L 7.90 4.11 0.00 1.50 1.53 0.77 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 64 F 7.79 4.66 0.00 3.16 2.98 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 65 C 7.72 4.47 0.00 3.24 3.09 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 0.00 0.00 0.00 66 L 8.50 4.25 0.00 1.99 1.65 1.08 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 67 M 7.81 4.09 0.00 2.28 2.39 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.63 0.00 68 V 7.87 3.72 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 1.06 0.00 0.00 1.05 0.00 0.00 69 S 7.65 4.15 0.00 4.22 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 70 F 8.43 4.05 0.00 3.16 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 71 L 8.05 4.23 0.00 1.97 1.74 1.03 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 72 L 7.32 4.58 0.00 1.60 1.81 0.94 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 73 L 7.50 4.29 0.00 1.31 1.40 0.51 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 *74 F 8.63 4.43 0.00 2.09 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.