NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 F 4.7418 8.3093 122.8356 58.1983 40.5437 173.7454 2 D 4.9399 7.7196 126.4818 50.7519 42.1412 174.3713 3 L 3.9030 8.5179 118.8384 56.9953 42.1233 180.0974 4 N 4.3439 7.6625 116.6536 55.9390 38.9218 176.5750 5 D 4.4477 7.8192 119.7660 56.6840 40.6861 178.2348 6 F 4.5703 7.7974 121.2212 60.6899 39.1631 177.1171 7 L 3.9164 7.4940 119.8650 57.8603 41.9929 178.0918 8 E 4.1624 7.6010 115.7126 58.0091 29.6033 178.2991 9 Q 4.1345 7.4605 119.8979 58.5746 28.9020 177.5799 *23 K 4.3453 8.0044 122.5913 54.9640 34.1663 181.7965 24 V 3.8868 7.9244 116.3623 64.1296 32.0008 182.0188 25 L 4.2298 7.9594 121.5163 57.5188 41.5476 181.8597 26 V 3.8634 7.9258 117.7892 64.5122 31.9250 182.6151 27 R 4.3271 7.6235 115.7306 56.6776 28.7333 180.6302 *29 E 4.2721 8.2981 120.8515 57.2529 31.5406 178.3154 30 A 3.9950 7.9158 119.4594 55.1929 18.5277 179.3671 31 I 3.8092 7.5243 118.4217 64.7189 36.9622 178.8196 32 I 3.8068 7.6502 119.0301 64.1713 37.1263 177.6948 33 N 4.5225 7.9753 116.1312 54.9842 38.8132 175.7524 34 S 4.5418 7.4697 117.3508 57.3366 64.1506 175.0551 *36 T 4.3144 8.1766 117.3574 61.5772 70.1657 175.9780 *38 K 4.2365 8.7824 118.6906 56.3608 33.7461 177.4571 39 E 3.9865 7.8612 117.6255 59.3436 29.5530 179.2716 40 R 3.9210 7.9984 118.0448 58.9216 29.9007 178.7612 41 A 4.3729 7.8144 119.2799 53.2901 20.2516 177.4663 42 K 4.5063 7.9654 118.0429 53.6817 32.3063 174.6616 43 P 4.3917 0.0000 0.0000 64.4275 31.9063 178.6536 44 E 4.0914 8.1567 115.7075 58.8213 29.6626 178.1431 45 I 3.8071 7.4368 111.6806 62.7812 37.7883 176.6388 46 I 3.9350 7.2916 121.9288 61.2366 35.5590 175.2462 47 K 4.6651 7.9853 127.2218 54.6912 35.1453 176.6841 48 G 3.8260 8.9150 105.3157 49.2130 0.0000 175.5669 49 S 4.1398 7.9975 115.5084 60.9582 62.4515 176.2831 50 R 3.9832 7.9127 120.3528 59.0523 29.8261 178.9377 51 K 3.9817 8.2712 118.5084 59.5198 32.0887 179.6405 52 R 3.9222 7.9294 117.9770 59.0414 29.9861 179.1115 53 R 3.8759 7.8743 118.0979 59.4949 30.1325 178.6704 54 I 3.7041 7.9690 119.5039 64.1408 36.8432 178.2045 55 A 3.9224 7.9906 120.4325 55.3511 18.5540 179.3391 56 A 4.1805 8.0195 119.1109 55.1833 18.2135 180.0815 57 G 3.6495 8.1561 103.6807 46.8167 0.0000 175.0721 58 S 4.6502 7.8419 113.9981 56.9748 64.5080 173.7403 59 G 3.5613 7.4942 109.0937 46.8138 0.0000 173.1052 *61 Q 4.1268 7.3709 116.6174 55.1569 30.6917 177.2365 62 V 3.6584 8.2295 118.3376 66.2633 31.3612 178.1082 63 Q 4.0381 8.0531 117.0710 59.3452 28.5035 178.1826 64 D 4.3997 8.0799 120.5134 57.0023 40.7292 178.8896 65 V 3.6384 7.7239 118.4959 65.9223 31.6694 177.6208 66 N 4.3915 8.4632 118.7942 57.0256 38.3122 178.2511 67 R 3.9821 8.1155 121.9328 61.3362 29.5197 180.4912 68 L 4.2761 7.9343 121.3729 58.0892 42.1517 179.1501 69 L 4.1344 8.2986 119.1861 57.4964 41.4982 179.4184 70 K 4.0030 8.2111 119.8690 59.5233 31.9543 179.0265 71 Q 4.0440 8.2187 117.6765 58.6235 28.6363 178.2056 72 F 3.1350 7.7611 121.3117 60.8512 39.7754 176.5816 73 D 4.0574 7.9124 117.5789 56.9466 40.6367 177.4388 74 D 4.3559 7.6999 118.9223 55.7254 40.6614 177.6893 *76 Q 4.1005 7.9821 120.0307 55.0337 29.9708 179.9665 77 R 4.0823 7.3902 120.7613 55.9722 27.8219 177.8126 *80 K 4.0870 7.8180 119.3836 53.5370 34.5215 177.0256 81 K 4.2187 7.3560 121.9690 57.3479 32.0886 176.2353 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 F 8.31 4.74 0.00 3.03 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 2 D 7.72 4.94 0.00 2.94 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 3 L 8.52 3.90 0.00 1.59 1.55 0.58 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 4 N 7.66 4.34 0.00 2.75 2.81 0.00 0.00 6.99 7.93 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 5 D 7.82 4.45 0.00 2.00 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 6 F 7.80 4.57 0.00 3.34 3.10 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 0.00 0.00 0.00 7 L 7.49 3.92 0.00 1.76 1.84 0.89 0.92 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 7.60 4.16 0.00 2.26 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 2.55 2.48 0.00 9 Q 7.46 4.13 0.00 2.05 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.76 6.58 0.00 0.00 0.00 0.00 0.00 2.48 2.75 0.00 *23 K 8.00 4.35 0.00 1.71 1.86 0.00 1.78 0.00 0.00 1.85 0.00 0.00 2.84 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.01 7.81 24 V 7.92 3.89 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 0.86 0.00 0.00 0.93 0.00 0.00 25 L 7.96 4.23 0.00 1.66 1.61 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 26 V 7.93 3.86 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 0.67 0.00 0.00 0.93 0.00 0.00 27 R 7.62 4.33 0.00 1.77 1.92 0.00 3.26 0.00 0.00 3.17 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.47 0.00 *29 E 8.30 4.27 0.00 2.21 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 0.00 2.25 2.47 0.00 30 A 7.92 3.99 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 31 I 7.52 3.81 1.90 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.93 0.00 0.00 32 I 7.65 3.81 1.99 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.51 0.88 0.00 0.00 33 N 7.98 4.52 0.00 2.88 2.87 0.00 0.00 7.01 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 34 S 7.47 4.54 0.00 3.96 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 *36 T 8.18 4.31 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 1.20 0.00 0.00 *38 K 8.78 4.24 0.00 1.85 1.92 0.00 1.65 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.41 1.46 7.81 39 E 7.86 3.99 0.00 2.08 1.96 0.00 0.00 0.00 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 2.32 0.00 40 R 8.00 3.92 0.00 1.81 1.98 0.00 3.07 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.73 0.00 41 A 7.81 4.37 1.26 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 0.00 0.00 42 K 7.97 4.51 0.00 1.73 1.68 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.88 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.33 1.39 7.81 43 P 0.00 4.39 0.00 2.27 1.80 0.00 3.68 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 1.68 1.74 0.00 44 E 8.16 4.09 0.00 2.09 2.13 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 2.29 2.26 0.00 45 I 7.44 3.81 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 1.56 0.58 0.95 0.00 0.00 46 I 7.29 3.94 1.95 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.50 0.90 0.00 0.00 47 K 7.99 4.67 0.00 1.77 1.76 0.00 1.71 0.00 0.00 1.83 0.00 0.00 3.07 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.64 1.35 7.81 48 G 8.92 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 49 S 8.00 4.14 0.00 3.90 3.87 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 0.00 0.00 0.00 50 R 7.91 3.98 0.00 2.01 2.03 0.00 3.33 0.00 0.00 3.51 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.71 0.00 51 K 8.27 3.98 0.00 2.00 1.86 0.00 1.67 0.00 0.00 1.78 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.66 7.81 52 R 7.93 3.92 0.00 2.06 1.97 0.00 3.13 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.79 0.00 53 R 7.87 3.88 0.00 1.90 2.05 0.00 3.09 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 54 I 7.97 3.70 1.87 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 1.44 0.54 0.93 0.00 0.00 55 A 7.99 3.92 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 56 A 8.02 4.18 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 57 G 8.16 3.65 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 0.00 0.00 0.00 58 S 7.84 4.65 0.00 4.05 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 G 7.49 3.56 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 0.00 0.00 0.00 *61 Q 7.37 4.13 0.00 2.16 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.82 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 62 V 8.23 3.66 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 1.09 0.00 0.00 0.93 0.00 0.00 63 Q 8.05 4.04 0.00 2.33 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.69 0.00 0.00 0.00 0.00 0.00 2.42 2.46 0.00 64 D 8.08 4.40 0.00 2.90 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 65 V 7.72 3.64 2.23 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 1.16 0.00 0.00 1.05 0.00 0.00 66 N 8.46 4.39 0.00 3.00 2.87 0.00 0.00 7.15 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 67 R 8.12 3.98 0.00 1.83 1.94 0.00 3.27 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.51 0.00 68 L 7.93 4.28 0.00 1.90 1.94 1.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.30 4.13 0.00 1.91 1.76 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 70 K 8.21 4.00 0.00 2.00 1.96 0.00 1.51 0.00 0.00 1.64 0.00 0.00 3.01 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.51 7.81 71 Q 8.22 4.04 0.00 2.39 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.75 0.00 0.00 0.00 0.00 0.00 2.47 2.55 0.00 72 F 7.76 3.14 0.00 2.37 3.09 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 0.00 0.00 0.00 0.00 73 D 7.91 4.06 0.00 2.93 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 74 D 7.70 4.36 0.00 2.80 2.61 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 0.00 0.00 0.00 0.00 *76 Q 7.98 4.10 0.00 2.10 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.13 7.52 0.00 0.00 0.00 0.00 0.00 2.18 1.96 0.00 77 R 7.39 4.08 0.00 1.85 1.83 0.00 3.11 0.00 0.00 3.14 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.54 0.00 *80 K 7.82 4.09 0.00 1.80 1.76 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.04 7.81 81 K 7.36 4.22 0.00 1.86 1.69 0.00 1.66 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.37 1.46 7.81 * Residues marked with a * may have inaccurate shift predictions.