NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 13 T 4.2745 8.1749 110.9396 61.4866 70.0158 173.0546 14 L 4.5899 7.8820 125.3338 52.8452 45.1098 173.8183 15 T 5.0803 8.1756 116.2408 61.8856 71.9674 173.4881 16 I 4.6545 9.2089 119.8846 59.0108 41.1197 174.5990 17 R 5.0105 8.5590 122.2776 54.5550 32.6235 174.8172 18 L 4.7839 9.0882 124.5728 52.8998 44.3934 175.9382 19 L 5.1116 8.2754 124.5251 53.1089 44.5765 175.0803 *21 H 4.5768 8.4793 117.9223 55.2936 30.0359 175.2300 22 G 3.6425 8.7469 109.4217 47.6084 0.0000 175.9654 23 K 4.0098 7.7772 120.8626 59.1975 31.5579 177.0883 24 E 4.4584 8.1144 116.1410 56.5019 29.9698 177.5081 25 V 4.2960 7.7962 119.2408 64.4816 32.5089 177.6731 26 G 3.9914 7.9359 105.4469 47.9486 0.0000 175.2128 27 S 4.3915 7.8671 114.2375 59.9755 63.6971 176.1929 28 I 3.8142 6.9758 123.3343 64.5021 37.1952 178.0485 29 I 3.8394 7.8994 120.7429 61.7660 36.9832 176.5903 30 G 4.1666 7.5457 110.3140 43.7228 0.0000 172.8051 31 K 3.8031 8.3351 117.3239 58.0704 32.1777 178.2926 32 K 3.8341 9.6729 121.0654 56.8037 30.3686 176.4402 33 G 4.0131 8.4084 108.0134 45.2725 0.0000 175.1870 34 E 3.9167 8.5638 120.9067 59.5720 29.2308 179.4513 35 S 4.0757 7.8685 110.8371 61.4711 62.8042 176.1680 36 V 3.7294 7.5565 120.2213 64.4155 31.2398 177.8575 37 K 4.1255 8.1157 120.6863 59.1685 32.0229 179.3410 38 K 3.7273 7.5927 117.3479 57.2050 30.8376 178.9165 *40 R 4.2028 8.1705 119.4829 56.4167 31.8060 177.3159 41 E 3.7968 8.0448 117.0224 59.5083 29.5995 177.9491 42 E 4.2296 8.7128 117.2154 57.7642 29.9147 177.8139 43 S 4.4666 8.1120 111.8183 57.4545 64.5054 175.2163 44 G 3.8385 7.6804 105.9157 45.6887 0.0000 172.5428 45 A 4.8882 7.5560 120.4513 49.4927 21.4669 177.5308 46 R 4.0368 9.2050 122.6269 56.5114 31.1718 175.3429 47 I 5.0825 8.4059 126.9108 59.4878 40.1144 174.4341 48 N 5.0701 9.1616 124.8737 51.7401 42.4228 173.0034 49 I 5.0759 8.2546 125.5145 59.1186 39.7357 175.4245 50 S 4.3533 8.6494 122.8407 58.6470 63.2676 174.4358 51 E 4.1148 8.9550 119.6913 57.0284 30.8727 177.8914 52 G 3.5411 8.3105 107.0670 46.7969 0.0000 172.5837 53 N 4.4515 8.7083 118.2260 55.9351 39.1438 175.9046 54 C 4.8696 7.6127 116.1808 56.9810 34.7417 172.0116 55 P 4.6044 0.0000 0.0000 62.9445 30.9307 176.3232 56 E 4.5271 7.7369 117.0784 55.9063 31.0342 174.7263 57 R 4.8104 8.6553 123.1528 54.1489 34.7884 174.5971 58 I 4.9581 8.3542 121.5167 59.7158 40.3065 174.6645 59 I 4.8186 8.8247 128.5969 60.0971 39.1939 174.8192 60 T 4.9297 8.9655 125.6082 62.2868 70.1315 173.8830 61 L 5.2896 9.2227 127.0642 53.0130 44.4581 175.6549 62 A 5.3621 8.5166 123.6993 50.8714 23.5815 174.5883 63 G 4.1710 8.9914 104.6199 42.2509 0.0000 171.7484 64 P 4.5832 0.0000 0.0000 62.9076 32.0092 177.7534 65 T 3.9014 8.4657 117.2918 66.7938 68.5128 175.4676 66 N 4.6667 8.1684 116.5742 54.1896 37.9502 176.7439 67 A 4.2530 8.3954 124.3531 55.0137 18.7461 179.5580 68 I 3.8131 7.6170 118.0274 64.0960 37.2487 178.1215 69 F 3.6749 8.5225 121.7744 61.2224 39.1093 176.9858 70 K 3.9174 8.1545 117.4985 59.5929 31.9371 178.2285 71 A 4.1312 8.0057 120.2934 54.9319 18.5594 179.0844 72 F 4.1323 8.3185 118.9645 61.1509 39.5009 178.4760 73 A 3.9256 7.8355 118.6543 52.3404 18.0667 179.3677 *75 I 3.8842 7.7156 122.2477 63.0886 39.1686 178.2827 76 I 3.4212 7.4308 119.6290 64.7783 37.0960 177.4853 77 D 4.3208 8.4129 119.2398 57.8880 40.4536 178.8928 78 K 4.0763 7.8387 120.0134 59.1923 32.0139 178.9203 79 L 3.9913 7.9537 118.2168 56.9992 41.5628 178.4077 80 E 4.3359 7.8231 115.7335 56.9618 30.1168 175.9773 81 E 4.0877 7.4941 121.8830 56.9978 29.7124 176.7240 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 13 T 8.17 4.27 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 1.22 0.00 0.00 14 L 7.88 4.59 0.00 1.65 1.61 0.92 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 15 T 8.18 5.08 4.24 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 1.21 0.00 0.00 16 I 9.21 4.65 1.83 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.84 0.88 0.00 0.00 17 R 8.56 5.01 0.00 1.67 1.86 0.00 3.17 0.00 0.00 3.22 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.62 0.00 18 L 9.09 4.78 0.00 1.57 1.58 1.03 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 19 L 8.28 5.11 0.00 1.64 1.53 0.91 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 *21 H 8.48 4.58 0.00 3.41 3.24 0.00 5.68 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 G 8.75 3.64 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 0.00 0.00 0.00 23 K 7.78 4.01 0.00 1.77 1.89 0.00 1.74 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.58 7.81 24 E 8.11 4.46 0.00 2.17 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 2.26 2.32 0.00 25 V 7.80 4.30 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 1.03 0.00 0.00 0.97 0.00 0.00 26 G 7.94 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.87 4.39 0.00 4.01 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 28 I 6.98 3.81 2.00 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 1.48 0.61 0.89 0.00 0.00 29 I 7.90 3.84 1.86 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 1.45 0.73 0.91 0.00 0.00 30 G 7.55 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 31 K 8.34 3.80 0.00 1.96 1.79 0.00 1.79 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.54 1.49 7.81 32 K 9.67 3.83 0.00 1.91 1.94 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.33 1.42 7.81 33 G 8.41 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 34 E 8.56 3.92 0.00 2.07 2.03 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 2.33 2.44 0.00 35 S 7.87 4.08 0.00 3.85 4.04 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.56 3.73 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 0.85 0.00 0.00 0.92 0.00 0.00 37 K 8.12 4.13 0.00 2.09 1.91 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.43 1.48 7.81 38 K 7.59 3.73 0.00 1.97 1.81 0.00 1.74 0.00 0.00 1.75 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.43 7.81 *40 R 8.17 4.20 0.00 2.02 2.02 0.00 3.14 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 41 E 8.04 3.80 0.00 2.19 1.99 0.00 0.00 0.00 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 2.34 0.00 42 E 8.71 4.23 0.00 2.21 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 2.35 2.25 0.00 43 S 8.11 4.47 0.00 3.98 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 44 G 7.68 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 A 7.56 4.89 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 46 R 9.20 4.04 0.00 1.87 1.95 0.00 3.04 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 1.63 1.62 0.00 47 I 8.41 5.08 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 1.24 1.00 0.92 0.00 0.00 48 N 9.16 5.07 0.00 2.73 2.60 0.00 0.00 6.61 7.40 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 49 I 8.25 5.08 1.87 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 1.40 0.79 0.91 0.00 0.00 50 S 8.65 4.35 0.00 3.89 3.89 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 0.00 0.00 0.00 51 E 8.96 4.11 0.00 2.10 1.99 0.00 0.00 0.00 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 2.24 0.00 52 G 8.31 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.71 4.45 0.00 2.70 2.86 0.00 0.00 6.50 7.65 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 54 C 7.61 4.87 0.00 3.09 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 55 P 0.00 4.60 0.00 2.10 2.07 0.00 3.77 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 56 E 7.74 4.53 0.00 1.93 1.92 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 0.00 2.22 2.29 0.00 57 R 8.66 4.81 0.00 1.74 1.82 0.00 3.15 0.00 0.00 3.34 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 58 I 8.35 4.96 1.87 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 1.23 0.99 0.91 0.00 0.00 59 I 8.82 4.82 1.89 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 1.23 0.69 0.92 0.00 0.00 60 T 8.97 4.93 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 1.22 0.00 0.00 61 L 9.22 5.29 0.00 1.55 1.58 1.03 0.66 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 62 A 8.52 5.36 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 63 G 8.99 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 64 P 0.00 4.58 0.00 2.42 2.20 0.00 3.76 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.00 0.00 65 T 8.47 3.90 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 1.23 0.00 0.00 66 N 8.17 4.67 0.00 2.95 3.06 0.00 0.00 6.13 7.22 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 67 A 8.40 4.25 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 68 I 7.62 3.81 2.09 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 1.55 0.91 0.92 0.00 0.00 69 F 8.52 3.67 0.00 3.38 3.32 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 70 K 8.15 3.92 0.00 2.04 2.10 0.00 1.90 0.00 0.00 1.78 0.00 0.00 3.28 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.52 7.81 71 A 8.01 4.13 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 F 8.32 4.13 0.00 3.11 3.04 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.84 3.93 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 *75 I 7.72 3.88 1.73 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 1.35 0.69 0.76 0.00 0.00 76 I 7.43 3.42 1.59 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 -0.36 0.75 0.00 0.00 77 D 8.41 4.32 0.00 2.66 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 78 K 7.84 4.08 0.00 1.80 1.86 0.00 1.85 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.56 1.44 7.81 79 L 7.95 3.99 0.00 1.74 1.66 0.83 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 80 E 7.82 4.34 0.00 2.10 2.02 0.00 0.00 0.00 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 2.30 0.00 81 E 7.49 4.09 0.00 2.25 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.26 0.00 * Residues marked with a * may have inaccurate shift predictions.