NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 13 L 4.3356 8.1844 120.6291 54.6097 42.9367 175.6655 14 V 4.1226 8.1047 122.7712 59.8537 34.5494 172.9007 15 D 4.5133 8.5274 126.9873 53.0328 41.7713 174.1961 16 P 4.3129 0.0000 0.0000 66.1825 30.6760 177.2816 17 L 3.9942 8.9722 121.3521 58.0099 41.7816 178.4589 18 T 3.8711 7.8196 110.0272 65.5379 68.8823 176.0924 19 T 4.0294 7.7957 117.6528 66.4523 68.7319 176.7472 20 V 3.7569 8.0692 119.5957 65.2318 31.4619 177.7778 21 R 4.2453 8.3844 120.1557 58.8322 29.8173 179.0833 22 E 3.9995 7.6950 117.6289 61.1057 30.0538 183.2990 23 Q 4.2841 8.1018 120.0333 59.4908 29.0676 179.0721 24 C 4.2271 8.3182 119.4358 60.9138 40.2138 176.5890 25 E 4.1678 8.4037 119.9530 60.6636 29.3275 179.7908 26 Q 4.6338 8.2109 117.7040 56.8757 29.9936 182.5133 27 L 4.0933 8.0390 119.2100 55.9607 41.6128 183.3926 28 E 4.0208 8.9804 122.5973 60.8653 29.6154 178.8768 29 K 4.1453 8.1376 119.1187 59.4590 31.9350 178.8322 30 C 4.2174 7.9860 116.4494 63.0100 28.1304 176.2354 31 V 3.7130 8.0290 121.3818 66.7882 30.9839 178.5248 32 K 4.1596 8.3125 120.7575 58.3182 31.6274 179.2813 33 A 4.7372 7.6096 118.3612 54.9541 20.2744 178.6366 34 R 3.5113 10.1728 118.9707 60.4928 29.8924 178.9471 35 E 3.9862 8.5815 120.3738 61.6412 29.9748 182.4263 36 R 4.1312 8.0446 121.1467 61.8331 29.2023 179.9466 37 L 4.3500 8.7441 123.2266 58.0985 42.2716 179.6422 38 E 3.8198 8.4142 118.0052 61.2724 29.6750 181.3466 39 L 4.1218 7.6530 119.1629 57.5485 41.9170 178.1590 40 C 4.1672 7.8666 116.6418 60.7762 43.2135 174.7490 41 D 4.3000 8.5778 120.8813 59.1646 40.3580 178.0213 42 E 4.5460 8.3069 120.7754 59.4145 29.8902 180.8736 43 R 4.5760 8.0456 121.2747 60.1772 30.4222 182.4152 44 V 4.3407 7.8752 116.3466 64.6606 32.3923 177.0047 45 S 4.5225 7.8240 111.6682 59.0605 63.0495 175.1844 46 S 4.4814 7.8573 117.0850 58.2669 63.8309 173.5555 47 R 4.6535 6.8733 121.9658 54.5626 32.4388 175.9350 48 S 4.1818 8.6585 117.8940 60.7838 63.2205 174.7763 49 Q 4.4907 7.7483 124.3405 54.8391 29.2464 174.4181 50 T 4.6378 7.9343 120.5300 62.5515 72.5349 174.2439 51 E 4.1837 8.7116 124.7901 57.7640 30.2195 176.8049 52 E 4.0741 8.0428 118.8761 56.6573 30.1046 175.5835 53 D 4.8608 8.1698 122.0082 53.0899 44.9297 175.9742 54 C 5.3008 8.6972 118.8149 56.9605 38.3701 176.6414 55 T 3.4771 7.7803 111.2123 64.6897 68.5012 174.5386 56 E 3.8461 7.9504 122.2753 58.9636 29.5381 178.6776 57 E 4.0885 8.1911 117.5403 59.4765 29.6221 179.1211 58 L 3.9959 7.6916 120.0624 58.5596 42.1207 178.5124 59 F 4.5790 8.6538 117.9536 60.8928 38.5897 177.8598 60 D 4.4630 8.3647 119.0329 57.8329 41.1449 178.6501 61 F 4.3056 8.8376 121.4498 59.8143 39.0182 177.3636 62 L 3.1933 7.9669 116.8144 57.6923 41.7062 178.8772 63 H 3.8021 9.0674 118.2521 59.3713 29.7613 176.9913 64 A 4.0015 8.1209 121.2114 55.9553 18.6313 178.7191 65 R 3.4923 7.7021 115.8636 59.8927 29.6221 177.5115 66 D 4.3150 8.2557 118.4865 57.8689 41.0576 178.6631 67 H 4.0189 7.8217 118.4401 59.4832 29.9010 174.5079 68 C 4.2198 8.1663 115.1701 57.4104 38.6504 175.5967 69 V 3.4096 7.7545 120.5073 66.1231 30.5767 177.7174 70 A 3.7788 8.0817 122.0112 55.9649 18.5085 179.6673 *71 H 4.0894 7.4059 115.9472 59.0905 28.0815 178.0034 72 K 4.5980 7.7671 115.5912 57.6355 35.2484 178.0717 73 L 3.9316 8.4133 120.7895 58.4858 41.5446 178.9839 74 F 4.6786 8.1674 115.0277 59.2756 38.5387 176.8174 75 N 4.3483 8.5519 117.4980 55.8815 38.6069 176.1753 76 S 4.4446 7.8986 113.6980 59.1812 63.5737 174.2006 77 L 4.4257 7.1050 120.6167 53.3375 42.6434 176.6289 78 K 4.0795 8.4061 121.9829 56.6570 32.1591 176.3641 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 L 8.18 4.34 0.00 1.66 1.70 0.92 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 14 V 8.10 4.12 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 0.78 0.00 0.00 0.94 0.00 0.00 15 D 8.53 4.51 0.00 2.73 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.31 0.00 2.32 2.35 0.00 3.76 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.07 0.00 17 L 8.97 3.99 0.00 1.79 1.96 0.93 0.72 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 18 T 7.82 3.87 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 1.23 0.00 0.00 19 T 7.80 4.03 4.38 0.00 0.00 0.00 0.00 0.00 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 20 V 8.07 3.76 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 1.03 0.00 0.00 1.05 0.00 0.00 21 R 8.38 4.25 0.00 2.05 1.99 0.00 3.20 0.00 0.00 3.23 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.76 0.00 22 E 7.70 4.00 0.00 2.09 1.86 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 2.26 2.18 0.00 23 Q 8.10 4.28 0.00 2.12 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.80 0.00 0.00 0.00 0.00 0.00 2.44 2.48 0.00 24 C 8.32 4.23 0.00 3.19 3.13 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 0.00 0.00 0.00 0.00 25 E 8.40 4.17 0.00 2.05 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.20 0.00 26 Q 8.21 4.63 0.00 2.03 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 6.73 0.00 0.00 0.00 0.00 0.00 2.23 2.15 0.00 27 L 8.04 4.09 0.00 1.57 1.60 0.92 0.75 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 28 E 8.98 4.02 0.00 1.97 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 2.33 2.02 0.00 29 K 8.14 4.15 0.00 1.82 1.93 0.00 1.67 0.00 0.00 1.83 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.55 1.56 7.81 30 C 7.99 4.22 0.00 3.28 3.25 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 0.00 31 V 8.03 3.71 2.26 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 1.03 0.00 0.00 1.07 0.00 0.00 32 K 8.31 4.16 0.00 1.88 1.71 0.00 1.83 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.39 1.33 7.81 33 A 7.61 4.74 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 10.17 3.51 0.00 1.67 2.01 0.00 2.93 0.00 0.00 2.82 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 35 E 8.58 3.99 0.00 2.02 1.93 0.00 0.00 0.00 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 2.19 0.00 36 R 8.04 4.13 0.00 1.80 2.02 0.00 3.21 0.00 0.00 3.26 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.30 0.00 37 L 8.74 4.35 0.00 1.60 1.70 0.80 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 38 E 8.41 3.82 0.00 2.02 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 2.25 2.28 0.00 39 L 7.65 4.12 0.00 1.74 1.71 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 40 C 7.87 4.17 0.00 3.02 3.24 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 0.00 41 D 8.58 4.30 0.00 2.76 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 E 8.31 4.55 0.00 2.15 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.05 0.00 43 R 8.05 4.58 0.00 1.87 1.86 0.00 3.21 0.00 0.00 3.15 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.48 0.00 44 V 7.88 4.34 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 1.05 0.00 0.00 1.01 0.00 0.00 45 S 7.82 4.52 0.00 4.07 4.06 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 0.00 0.00 0.00 0.00 46 S 7.86 4.48 0.00 4.03 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 47 R 6.87 4.65 0.00 1.69 1.81 0.00 3.29 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.67 0.00 48 S 8.66 4.18 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 49 Q 7.75 4.49 0.00 1.97 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.63 0.00 0.00 0.00 0.00 0.00 2.22 2.33 0.00 50 T 7.93 4.64 4.23 0.00 0.00 0.00 0.00 0.00 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 51 E 8.71 4.18 0.00 1.95 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 2.29 2.23 0.00 52 E 8.04 4.07 0.00 1.91 1.86 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 2.28 2.34 0.00 53 D 8.17 4.86 0.00 2.60 2.44 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 54 C 8.70 5.30 0.00 2.92 3.02 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 0.00 0.00 0.00 55 T 7.78 3.48 3.74 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 1.06 0.00 0.00 56 E 7.95 3.85 0.00 2.08 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 2.52 2.52 0.00 57 E 8.19 4.09 0.00 2.06 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 2.39 2.45 0.00 58 L 7.69 4.00 0.00 1.78 1.52 1.09 1.04 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 59 F 8.65 4.58 0.00 3.28 2.89 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 60 D 8.36 4.46 0.00 2.95 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.84 4.31 0.00 3.04 3.26 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 62 L 7.97 3.19 0.00 2.01 1.63 1.12 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 63 H 9.07 3.80 0.00 3.22 3.48 0.00 5.58 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 A 8.12 4.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.70 3.49 0.00 0.87 1.37 0.00 3.21 0.00 0.00 3.13 8.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 66 D 8.26 4.32 0.00 2.71 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 67 H 7.82 4.02 0.00 3.35 3.49 0.00 5.77 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 C 8.17 4.22 0.00 3.15 3.26 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 69 V 7.75 3.41 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 0.90 0.00 0.00 0.92 0.00 0.00 70 A 8.08 3.78 1.14 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 0.00 0.00 0.00 0.00 0.00 0.00 *71 H 7.41 4.09 0.00 2.99 3.03 0.00 7.15 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 K 7.77 4.60 0.00 1.77 1.80 0.00 1.70 0.00 0.00 1.57 0.00 0.00 2.85 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.32 1.30 7.81 73 L 8.41 3.93 0.00 1.96 1.64 0.96 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 74 F 8.17 4.68 0.00 3.05 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 75 N 8.55 4.35 0.00 2.74 2.90 0.00 0.00 6.93 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 S 7.90 4.44 0.00 3.93 3.92 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 0.00 0.00 0.00 77 L 7.10 4.43 0.00 1.31 1.45 0.94 0.83 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 78 K 8.41 4.08 0.00 1.68 1.63 0.00 1.79 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.36 1.40 7.81 * Residues marked with a * may have inaccurate shift predictions.