NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8038 8.3549 109.7364 45.2843 0.0000 173.6884 2 K 4.1514 8.3493 122.0210 52.4574 31.9612 175.0134 3 K 4.2650 8.1842 123.6827 56.2137 34.8794 176.8416 4 S 4.6887 8.0329 115.2494 56.6971 66.6893 174.7661 5 K 3.9156 8.3810 120.8532 59.5309 31.8472 178.5184 6 A 3.9555 7.8691 120.5283 55.5026 18.4921 179.2975 7 T 3.8197 7.7155 114.0562 66.9528 68.5379 176.6333 8 K 3.9565 8.2032 121.2084 59.4140 32.1754 179.0131 9 K 4.0009 7.8743 118.4152 59.4223 31.9220 179.6149 10 R 3.9503 8.1638 118.4280 59.1472 29.9492 178.9703 11 L 3.9793 8.1307 118.6539 57.7227 41.6241 179.3645 12 A 3.9696 8.1550 120.6927 54.9777 18.3276 179.4913 13 K 3.8310 7.9605 117.9724 59.7729 32.1022 178.7414 14 L 4.1501 7.7546 117.7033 58.0502 41.9939 178.7327 15 D 4.4830 8.3006 117.8347 57.3669 41.1252 177.9367 16 N 4.3168 8.1485 117.4369 56.8391 38.8670 176.8005 17 Q 4.1875 8.3790 117.9484 58.0438 28.7560 177.1963 18 N 4.7497 7.5701 116.9889 52.9345 39.1045 174.4710 19 S 4.5507 7.5226 114.3170 57.3379 64.7863 173.2007 20 R 4.3701 7.9607 120.2782 54.2613 31.2281 175.7766 21 V 3.4817 8.1471 122.5363 62.1376 32.0261 174.2226 22 P 4.2252 0.0000 0.0000 62.7561 31.9239 176.6659 23 A 3.9622 8.9273 122.8970 55.5246 18.0797 180.2707 24 W 4.2710 8.2675 114.3324 59.7968 27.9722 178.4262 25 V 3.1184 6.6585 118.4948 65.5892 30.6386 177.9763 26 M 4.0222 7.8162 118.8412 58.1050 31.7762 178.6858 27 L 3.9938 7.8029 118.6864 57.6887 41.8882 179.1881 28 K 4.1674 8.3999 118.3631 58.5290 32.1656 177.6338 29 T 4.4846 7.3545 107.3252 60.3897 69.4394 173.3729 30 D 4.3156 8.8015 119.8314 55.3025 39.2363 170.1615 31 E 3.7155 8.1028 123.6206 55.6902 30.1908 174.6382 *35 R 3.8204 8.3235 120.1103 56.0803 31.0439 174.7260 36 N 4.6225 8.3954 121.9208 52.1272 38.6997 173.8616 37 H 4.5444 8.5041 121.6985 56.8389 28.9750 176.3461 38 K 4.5728 8.0381 119.0333 55.9459 32.4351 176.3507 39 R 4.0320 8.0464 118.9212 55.9951 30.2352 176.0710 40 R 4.4934 8.4747 123.2681 54.5196 32.1772 174.0643 41 H 4.7149 8.6110 125.5670 54.5555 30.9727 175.6270 42 W 4.2663 8.7701 123.7720 59.6097 28.0642 177.4182 43 R 3.6705 6.0361 117.5896 58.5839 29.6986 177.6052 44 R 3.8846 7.7087 115.0443 58.3004 30.2106 176.3257 45 N 4.8993 8.1001 114.4530 51.3881 40.9592 173.3893 46 D 4.6660 8.1551 117.7133 52.9456 43.8706 175.0294 47 T 4.3207 8.3561 116.5169 60.6514 70.2227 173.7550 48 D 4.5792 8.1226 121.9834 54.1992 42.3159 176.7375 49 E 4.1414 8.6783 118.4837 57.1547 28.9123 174.8088 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 3.80 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 0.00 0.00 0.00 2 K 8.35 4.15 0.00 1.82 1.79 0.00 1.76 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.36 1.43 7.81 3 K 8.18 4.26 0.00 1.86 1.80 0.00 1.55 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.42 7.81 4 S 8.03 4.69 0.00 4.06 4.05 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 5 K 8.38 3.92 0.00 1.84 1.84 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.51 1.51 7.81 6 A 7.87 3.96 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 7.72 3.82 4.46 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 0.00 0.00 0.00 1.25 0.00 0.00 8 K 8.20 3.96 0.00 1.92 1.99 0.00 1.63 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 1.48 7.81 9 K 7.87 4.00 0.00 2.05 1.84 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.68 7.81 10 R 8.16 3.95 0.00 2.03 1.98 0.00 3.38 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.84 0.00 11 L 8.13 3.98 0.00 1.85 1.72 0.92 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 12 A 8.15 3.97 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 0.00 0.00 0.00 0.00 0.00 13 K 7.96 3.83 0.00 1.86 1.99 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.50 7.81 14 L 7.75 4.15 0.00 1.84 1.75 0.94 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 15 D 8.30 4.48 0.00 2.79 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 16 N 8.15 4.32 0.00 2.86 2.98 0.00 0.00 7.25 6.56 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 17 Q 8.38 4.19 0.00 2.16 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 7.01 0.00 0.00 0.00 0.00 0.00 2.41 2.61 0.00 18 N 7.57 4.75 0.00 3.02 2.91 0.00 0.00 7.14 6.92 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 19 S 7.52 4.55 0.00 4.04 3.95 0.00 0.00 0.00 0.00 0.00 0.00 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 7.96 4.37 0.00 1.77 1.83 0.00 3.23 0.00 0.00 3.13 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.56 0.00 21 V 8.15 3.48 1.97 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 0.67 0.00 0.00 0.84 0.00 0.00 22 P 0.00 4.23 0.00 1.87 2.17 0.00 3.54 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.78 0.00 23 A 8.93 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 24 W 8.27 4.27 0.00 3.61 3.34 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 25 V 6.66 3.12 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 -0.66 0.00 0.00 26 M 7.82 4.02 0.00 2.06 2.22 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.61 0.00 27 L 7.80 3.99 0.00 1.89 1.76 0.99 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 28 K 8.40 4.17 0.00 2.01 2.07 0.00 2.14 0.00 0.00 2.21 0.00 0.00 3.22 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.57 1.58 7.81 29 T 7.35 4.48 4.22 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 1.27 0.00 0.00 30 D 8.80 4.32 0.00 2.84 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 E 8.10 3.72 0.00 2.11 1.97 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 2.22 2.26 0.00 *35 R 8.32 3.82 0.00 1.72 1.65 0.00 3.19 0.00 0.00 3.14 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.59 0.00 36 N 8.40 4.62 0.00 2.60 2.70 0.00 0.00 7.25 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 8.50 4.54 0.00 3.16 3.32 0.00 5.91 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 K 8.04 4.57 0.00 1.87 1.79 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.39 7.81 39 R 8.05 4.03 0.00 1.80 1.89 0.00 3.18 0.00 0.00 3.14 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.75 0.00 40 R 8.47 4.49 0.00 1.74 1.81 0.00 3.26 0.00 0.00 3.17 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 41 H 8.61 4.71 0.00 3.17 3.03 0.00 5.94 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 W 8.77 4.27 0.00 3.54 3.15 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 0.00 0.00 0.00 43 R 6.04 3.67 0.00 0.67 1.22 0.00 2.43 0.00 0.00 2.86 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.16 0.00 44 R 7.71 3.88 0.00 1.76 1.91 0.00 3.32 0.00 0.00 3.12 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.48 0.00 45 N 8.10 4.90 0.00 2.86 2.75 0.00 0.00 6.70 7.61 0.00 0.00 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 4.67 0.00 2.56 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 47 T 8.36 4.32 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 8.12 4.58 0.00 2.70 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 49 E 8.68 4.14 0.00 2.13 2.10 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 2.18 2.28 0.00 * Residues marked with a * may have inaccurate shift predictions.