NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 L 4.3302 8.0433 122.4953 54.8218 44.2533 178.7123 5 R 3.8568 7.9550 117.7282 58.8339 29.9292 176.8947 6 D 4.5068 9.0286 119.8163 57.4078 41.1592 178.4196 7 L 4.0372 7.8760 118.9645 57.8256 41.6770 179.2890 8 Q 3.9359 7.8740 117.7392 59.2534 28.6626 178.5969 9 Y 4.0253 8.2974 117.7381 60.9031 37.8706 178.3933 10 A 4.0532 8.2979 121.8115 55.0897 18.4476 179.4855 11 L 3.8856 8.2974 119.2337 58.2986 42.1983 178.9059 12 Q 3.9274 8.3346 119.8050 59.1397 28.9200 177.9136 13 E 3.9668 8.3508 120.3194 59.3112 29.6342 178.9987 14 K 4.0042 8.1066 118.5530 59.2832 32.0477 179.4109 15 I 3.6846 7.9817 120.2877 64.4991 37.0727 178.2209 16 E 3.9852 8.1802 119.2739 59.6051 29.2211 179.3881 17 E 3.9976 8.4121 118.6346 59.1758 29.3858 179.1966 18 L 3.9316 8.2132 120.6499 58.1448 42.1945 179.0796 19 R 3.9174 8.0883 118.0187 59.4801 30.0477 179.0258 20 Q 4.0037 8.0798 117.5851 59.0277 28.7255 179.0475 21 R 3.9364 8.1912 119.1622 59.5254 30.1333 178.9119 22 D 4.3505 8.4650 118.6570 57.1818 40.7775 178.7307 23 A 3.9643 8.1403 121.3507 55.0482 18.3879 179.3899 24 L 3.8959 7.9823 118.8406 58.4193 42.0674 179.2462 25 I 3.7507 7.9302 119.7330 64.4841 37.0051 178.1441 26 D 4.3330 8.1134 119.7679 57.1963 40.5767 178.4995 27 E 3.8959 8.1525 119.7310 59.3140 29.7477 178.7810 28 L 3.9800 8.2880 119.4260 57.9912 41.6802 179.4912 29 E 3.9961 8.4876 118.7209 59.2043 29.3622 179.1444 30 L 3.9637 7.9956 120.4835 58.1033 42.0623 178.8358 31 E 3.9646 8.3948 118.9204 59.4081 29.4572 179.3753 32 L 4.0217 8.0848 119.6532 58.6582 40.4706 178.9358 33 D 4.3713 8.1384 120.0158 57.4543 40.7209 178.7084 34 Q 4.0391 8.0511 118.4847 58.6149 28.6789 178.7016 35 K 4.0165 8.3690 119.9853 59.4333 32.0567 178.9154 36 D 4.3981 8.1677 119.2517 57.5099 40.4962 178.9051 37 E 3.9775 7.7405 118.0557 59.2799 29.5724 178.9466 38 L 4.1402 7.6468 117.8097 57.9180 41.9742 179.2237 39 I 3.9080 8.0666 119.9958 64.4078 37.0504 179.2730 40 Q 4.2719 7.9796 117.5917 56.7293 28.6391 177.7051 *42 L 4.3147 7.9276 120.3973 54.4384 43.9845 179.3472 43 Q 3.9958 8.3755 117.6972 59.0081 28.3503 178.3565 44 N 4.3194 8.0622 116.4331 56.2469 38.8532 176.7151 45 E 4.1368 8.1594 120.1187 59.3759 29.7857 178.5118 46 L 4.1565 8.2797 120.4892 58.2839 41.8929 178.5838 47 D 4.4003 8.2334 118.0754 56.9626 40.7221 178.5253 48 K 4.0385 7.8665 118.6650 58.9981 32.0009 178.1589 49 Y 4.0495 7.7907 115.3940 59.7371 38.6118 175.6638 50 R 4.0037 8.2164 122.6582 56.5178 30.5600 175.6539 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 L 8.04 4.33 0.00 1.70 1.74 0.92 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 5 R 7.95 3.86 0.00 2.09 2.24 0.00 3.29 0.00 0.00 3.59 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.82 0.00 6 D 9.03 4.51 0.00 2.73 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 7 L 7.88 4.04 0.00 1.89 1.72 0.93 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 8 Q 7.87 3.94 0.00 2.04 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.30 2.35 0.00 9 Y 8.30 4.03 0.00 3.00 2.97 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 0.00 0.00 0.00 10 A 8.30 4.05 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.30 3.89 0.00 1.83 1.82 0.92 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 12 Q 8.33 3.93 0.00 2.26 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.58 0.00 0.00 0.00 0.00 0.00 2.35 2.43 0.00 13 E 8.35 3.97 0.00 2.25 2.11 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 2.47 2.38 0.00 14 K 8.11 4.00 0.00 1.98 1.85 0.00 1.75 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.70 1.63 7.81 15 I 7.98 3.68 2.04 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 1.52 0.88 0.91 0.00 0.00 16 E 8.18 3.99 0.00 2.13 2.01 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 2.55 2.50 0.00 17 E 8.41 4.00 0.00 2.16 2.00 0.00 0.00 0.00 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 2.41 0.00 18 L 8.21 3.93 0.00 1.92 1.73 0.92 1.16 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 19 R 8.09 3.92 0.00 2.09 1.97 0.00 3.18 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 1.80 0.00 20 Q 8.08 4.00 0.00 2.28 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.79 0.00 0.00 0.00 0.00 0.00 2.38 2.61 0.00 21 R 8.19 3.94 0.00 2.13 1.98 0.00 3.18 0.00 0.00 3.37 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 22 D 8.46 4.35 0.00 2.86 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.14 3.96 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.98 3.90 0.00 1.79 1.86 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 25 I 7.93 3.75 2.02 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 1.52 0.64 0.91 0.00 0.00 26 D 8.11 4.33 0.00 2.92 2.72 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 27 E 8.15 3.90 0.00 2.06 2.11 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 2.31 2.35 0.00 28 L 8.29 3.98 0.00 1.83 1.70 0.92 0.86 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 29 E 8.49 4.00 0.00 2.05 2.00 0.00 0.00 0.00 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 2.46 0.00 30 L 8.00 3.96 0.00 1.83 1.91 0.92 1.00 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 31 E 8.39 3.96 0.00 2.34 1.98 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 2.33 2.44 0.00 32 L 8.08 4.02 0.00 1.93 1.92 0.97 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 33 D 8.14 4.37 0.00 2.92 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 8.05 4.04 0.00 2.25 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.51 0.00 35 K 8.37 4.02 0.00 1.79 1.86 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.71 7.81 36 D 8.17 4.40 0.00 2.93 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.74 3.98 0.00 2.07 2.01 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 2.35 2.53 0.00 38 L 7.65 4.14 0.00 1.81 1.74 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 39 I 8.07 3.91 2.09 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 1.41 0.65 0.91 0.00 0.00 40 Q 7.98 4.27 0.00 2.25 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.38 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 *42 L 7.93 4.31 0.00 1.97 1.74 0.92 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 43 Q 8.38 4.00 0.00 2.24 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.79 0.00 0.00 0.00 0.00 0.00 2.39 2.59 0.00 44 N 8.06 4.32 0.00 2.72 2.90 0.00 0.00 7.02 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 45 E 8.16 4.14 0.00 2.12 2.17 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 0.00 2.46 2.62 0.00 46 L 8.28 4.16 0.00 1.98 1.70 0.93 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 47 D 8.23 4.40 0.00 2.90 2.74 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 48 K 7.87 4.04 0.00 1.62 1.53 0.00 1.67 0.00 0.00 1.60 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.62 7.81 49 Y 7.79 4.05 0.00 3.07 3.03 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 50 R 8.22 4.00 0.00 1.90 2.20 0.00 3.21 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.77 0.00 * Residues marked with a * may have inaccurate shift predictions.