NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 S 4.4432 8.1927 117.0981 57.6455 63.5686 173.6134 6 L 3.7085 8.6430 129.2169 56.5838 41.6857 177.0814 7 L 3.7524 8.0825 121.1955 58.7782 42.4421 178.6241 8 E 3.9113 7.9944 117.5448 61.0141 29.5837 180.4343 9 K 4.0403 8.4570 119.9355 59.6836 32.1105 179.5062 10 V 3.4745 7.9146 118.3342 65.7639 31.1192 178.0755 11 L 3.3108 7.2108 117.9425 57.1259 41.4939 178.9616 12 K 4.2559 8.0626 118.7927 60.2029 31.9109 179.0918 13 E 4.1835 7.6957 115.4693 58.9144 29.6259 178.8764 14 W 4.6176 8.1808 118.1452 56.8079 29.2914 176.2937 15 K 4.3594 7.4982 121.3302 57.8414 31.9979 175.9045 16 G 4.0697 8.7693 114.2917 45.3162 0.0000 173.1247 17 H 4.9292 8.2978 116.5763 53.5163 31.4957 174.7899 18 K 4.1839 8.6690 122.8138 57.4525 33.1901 175.8822 19 V 4.9609 8.8682 118.8933 59.6619 36.6574 174.0756 20 A 5.1837 8.6350 122.6088 50.3322 22.4033 175.3848 21 V 4.5988 8.1987 119.2780 61.0773 35.0107 174.6010 22 S 4.2587 7.8898 124.4947 56.9071 64.2605 173.6261 23 V 4.4448 8.1466 125.8247 61.4518 33.8677 170.8768 24 G 4.1727 8.8109 118.8778 44.3953 0.0000 173.2510 *29 F 4.9308 7.6140 117.6951 57.2971 40.6348 174.1618 30 T 4.8924 9.1455 116.8277 60.0664 71.5236 172.7615 31 G 4.2915 8.0198 113.4257 46.2710 0.0000 171.9017 32 T 4.5948 7.8912 117.2472 63.3217 69.8215 174.5221 33 L 4.4231 8.7175 130.8928 55.2783 41.8806 177.6628 34 E 4.1147 8.9664 124.6661 58.7770 29.7382 174.5115 35 D 4.8845 7.6237 116.8564 53.7822 45.2386 172.6963 36 F 5.3744 9.2354 114.0856 56.8213 40.8559 173.1983 37 D 4.5847 9.2055 121.2994 53.0935 42.1558 175.1346 38 E 4.1302 9.2730 117.1416 60.3147 29.7172 175.1521 39 E 4.2194 8.3293 115.2565 58.2038 30.2062 178.4277 40 V 5.3472 7.7006 110.2076 59.4470 36.8316 174.3321 41 I 5.0863 9.4749 115.2633 59.1641 41.3417 174.0700 42 L 4.9481 9.2922 126.0219 53.3920 44.6880 174.8269 43 L 5.1908 8.5302 125.8166 52.9252 44.5301 175.1407 44 K 4.6936 9.3501 124.8827 55.0258 34.5930 175.4272 45 D 4.4561 8.5191 124.8758 55.5202 38.8469 174.4480 46 V 4.0482 7.3713 118.0450 63.1218 33.5213 175.8712 47 V 4.8586 9.3649 126.0567 61.2937 35.1009 173.8251 48 D 5.1781 9.3181 126.1388 52.2740 43.7752 177.2852 49 V 3.6693 8.4400 120.5336 66.0975 31.4460 177.2809 50 I 3.9317 7.9200 118.3373 61.8368 37.6595 176.2997 51 G 3.8775 6.8428 105.2233 45.2865 0.0000 171.6151 52 N 4.7654 8.2941 116.9843 53.9058 38.9410 175.0590 53 R 4.5561 8.8525 117.2389 55.0535 32.2128 175.1898 54 G 4.2015 8.6093 105.1698 43.2879 0.0000 175.1304 55 K 4.0300 8.9581 121.6583 59.1118 32.5599 175.7758 56 Q 4.8499 7.1845 114.6077 54.0964 31.5585 173.6640 *58 L 4.3877 8.2870 118.5833 55.9624 43.1797 176.8480 59 I 4.5278 8.6889 122.5344 59.9175 41.7675 174.3815 60 G 4.1190 8.7282 114.4143 45.3998 0.0000 174.8472 61 L 4.1698 9.1452 127.4253 58.1707 42.1599 179.9632 62 E 3.8886 8.5819 116.4788 59.7618 29.6239 181.7703 63 D 4.8184 7.8277 115.6283 52.7198 39.8377 177.0588 64 I 4.6524 7.4939 121.5767 60.9654 37.9685 175.6197 65 N 4.5324 8.7203 124.8761 55.1347 38.8808 175.2680 66 W 5.2787 6.9062 113.2969 55.3211 31.1042 173.7223 67 I 5.7444 8.2105 119.7310 58.5745 39.8302 174.1186 *69 L 3.5424 8.2014 121.2640 55.2673 42.4036 176.9709 70 L 4.1717 8.0338 124.4013 54.9087 41.6597 176.3236 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 5 S 8.19 4.44 0.00 3.67 3.86 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 6 L 8.64 3.71 0.00 1.84 1.68 0.92 0.22 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 7 L 8.08 3.75 0.00 1.69 1.56 0.69 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 8 E 7.99 3.91 0.00 2.01 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 2.31 1.97 0.00 9 K 8.46 4.04 0.00 1.92 1.89 0.00 1.75 0.00 0.00 1.57 0.00 0.00 2.84 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.47 1.36 7.81 10 V 7.91 3.47 1.66 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 0.02 0.00 0.00 0.89 0.00 0.00 11 L 7.21 3.31 0.00 0.42 0.13 0.29 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 12 K 8.06 4.26 0.00 2.14 1.99 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.47 1.39 7.81 13 E 7.70 4.18 0.00 2.33 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.55 0.00 14 W 8.18 4.62 0.00 3.38 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 15 K 7.50 4.36 0.00 2.15 1.92 0.00 1.84 0.00 0.00 1.88 0.00 0.00 3.19 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.61 1.68 7.81 16 G 8.77 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 H 8.30 4.93 0.00 3.24 3.20 0.00 5.83 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 K 8.67 4.18 0.00 1.86 1.71 0.00 1.67 0.00 0.00 1.83 0.00 0.00 2.84 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.54 1.52 7.81 19 V 8.87 4.96 2.24 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 1.01 0.00 0.00 1.10 0.00 0.00 20 A 8.64 5.18 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 21 V 8.20 4.60 2.06 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 0.74 0.00 0.00 0.98 0.00 0.00 22 S 7.89 4.26 0.00 2.72 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.15 4.44 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 0.81 0.00 0.00 0.93 0.00 0.00 24 G 8.81 4.17 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 0.00 0.00 0.00 0.00 0.00 0.00 *29 F 7.61 4.93 0.00 3.04 2.95 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 30 T 9.15 4.89 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 31 G 8.02 4.29 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 0.00 32 T 7.89 4.59 4.36 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 0.00 0.00 0.00 1.26 0.00 0.00 33 L 8.72 4.42 0.00 1.89 1.74 1.10 1.53 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 34 E 8.97 4.11 0.00 1.82 1.81 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 0.00 2.26 2.13 0.00 35 D 7.62 4.88 0.00 2.66 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.24 5.37 0.00 2.89 2.95 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 37 D 9.21 4.58 0.00 2.71 2.56 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 38 E 9.27 4.13 0.00 2.00 1.95 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 2.24 1.92 0.00 39 E 8.33 4.22 0.00 1.89 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 2.31 1.90 0.00 40 V 7.70 5.35 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 0.72 0.00 0.00 1.01 0.00 0.00 41 I 9.47 5.09 1.96 0.00 0.00 0.90 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 1.30 0.97 0.00 0.00 42 L 9.29 4.95 0.00 1.73 1.69 0.91 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 43 L 8.53 5.19 0.00 1.65 1.54 0.97 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 44 K 9.35 4.69 0.00 1.79 1.78 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.35 1.40 7.81 45 D 8.52 4.46 0.00 2.84 2.70 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 46 V 7.37 4.05 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 0.86 0.00 0.00 0.89 0.00 0.00 47 V 9.36 4.86 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 0.97 0.00 0.00 0.99 0.00 0.00 48 D 9.32 5.18 0.00 2.87 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 V 8.44 3.67 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 0.85 0.00 0.00 0.90 0.00 0.00 50 I 7.92 3.93 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 1.34 0.52 0.92 0.00 0.00 51 G 6.84 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 0.00 0.00 0.00 52 N 8.29 4.77 0.00 2.74 2.79 0.00 0.00 6.55 7.66 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 53 R 8.85 4.56 0.00 1.85 1.90 0.00 3.39 0.00 0.00 3.33 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 2.01 0.00 54 G 8.61 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.96 4.03 0.00 1.91 1.91 0.00 1.75 0.00 0.00 1.82 0.00 0.00 3.00 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.54 1.08 7.81 56 Q 7.18 4.85 0.00 1.95 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.54 0.00 0.00 0.00 0.00 0.00 2.25 2.32 0.00 *58 L 8.29 4.39 0.00 1.52 1.62 0.90 0.69 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 59 I 8.69 4.53 1.86 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 0.80 0.88 0.00 0.00 60 G 8.73 4.12 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 0.00 0.00 0.00 61 L 9.15 4.17 0.00 1.72 1.73 1.07 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 62 E 8.58 3.89 0.00 1.98 1.90 0.00 0.00 0.00 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 1.91 0.00 63 D 7.83 4.82 0.00 2.64 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 I 7.49 4.65 2.00 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 1.24 0.97 0.93 0.00 0.00 65 N 8.72 4.53 0.00 2.34 2.92 0.00 0.00 6.86 8.53 0.00 0.00 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 W 6.91 5.28 0.00 3.58 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 I 8.21 5.74 2.15 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 1.35 1.87 1.26 0.00 0.00 *69 L 8.20 3.54 0.00 0.27 0.50 0.61 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 70 L 8.03 4.17 0.00 1.64 1.51 0.94 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.