NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3562 8.2893 120.3483 54.1831 33.3818 174.5964 2 P 4.0787 0.0000 0.0000 61.7355 31.5224 174.1051 3 R 4.6728 9.4479 122.2216 54.6342 33.0611 176.0756 4 L 4.9022 8.9614 119.0482 53.2002 45.1155 176.1579 5 K 4.8475 8.6833 122.1449 55.0081 33.5899 174.6629 6 V 4.5367 8.5040 118.6064 59.6562 34.0654 174.6943 7 K 4.9456 8.4960 125.1164 54.1900 35.2078 174.7832 8 L 4.2853 8.6160 130.2090 55.7060 42.2423 177.2458 9 V 4.2257 8.9122 120.1224 60.9992 34.3154 176.2196 10 K 4.5338 7.7794 120.2488 53.8196 34.2977 175.3695 11 S 4.2333 8.5852 120.8332 57.8521 62.8952 172.2648 12 P 4.4103 0.0000 0.0000 63.8739 31.7454 175.7655 13 I 3.8409 7.2793 121.0449 64.2341 36.8958 175.9388 14 G 3.9619 9.0658 113.3547 45.4264 0.0000 172.6253 15 Y 4.4928 7.9145 117.1800 55.5681 39.6924 174.2511 16 P 4.4289 0.0000 0.0000 62.6840 33.2846 177.5871 17 K 3.9705 8.6957 119.6786 59.8808 31.9751 178.8518 18 D 4.4270 8.2462 118.6205 57.1930 38.7117 178.9532 19 Q 4.0018 7.8322 117.9371 58.1475 28.3963 178.8190 20 K 4.1475 8.4346 119.7745 58.7803 32.0307 179.1992 21 A 4.0130 7.8262 120.7332 54.7448 18.4739 179.0099 22 A 3.9068 8.2724 119.7193 55.5687 18.3347 179.7934 23 L 3.8764 7.5319 115.8371 57.7059 41.4278 179.6496 24 K 3.8443 7.4629 118.0978 59.5795 32.2919 178.0104 25 A 4.1270 8.4457 120.1957 55.6636 18.2906 179.3993 26 L 4.1477 7.9029 116.3093 56.1828 41.6747 178.4400 27 G 4.0140 8.0791 106.2958 45.1937 0.0000 172.7726 28 L 4.6682 7.5822 118.8609 52.9066 42.2583 175.8396 29 R 4.3178 8.6890 122.3122 57.4333 31.4433 176.8971 30 R 4.5957 7.3642 115.4577 54.1022 32.3936 175.7733 31 L 4.0932 8.0334 119.6214 56.2221 42.1107 177.9440 32 Q 4.0038 9.3234 121.7352 55.5903 27.7984 173.8318 33 Q 4.1754 7.6213 120.2067 56.1664 30.0717 174.7412 34 E 4.9976 8.6646 124.5199 54.9599 33.0705 175.7875 35 R 4.5537 8.6753 120.8000 55.0658 34.9242 174.2399 36 V 4.5727 8.4542 124.6807 62.2776 32.6475 174.7939 37 L 4.9746 9.2331 127.2663 52.5447 46.4154 175.6549 38 E 4.3592 8.7094 119.3600 56.4823 30.2489 176.6936 39 D 4.6525 8.4111 118.8862 54.1985 41.4302 176.2082 40 T 4.0075 7.7280 112.6332 61.8535 68.0349 172.7607 41 P 4.2642 0.0000 0.0000 65.6350 31.0868 178.8874 42 A 4.0745 7.6872 118.4369 54.6655 18.4941 179.1347 43 I 3.9838 7.5887 118.1210 63.5950 37.3758 178.5965 44 R 4.1479 7.8888 118.9576 58.8729 30.2147 178.5441 45 G 3.9594 8.0707 105.6269 48.4075 0.0000 175.3761 46 N 4.4221 8.0682 118.1820 55.7688 38.5142 177.5495 47 V 3.6920 7.1957 117.2095 65.3509 31.8082 177.6142 48 E 4.1372 8.5759 119.1800 59.0774 29.2198 178.8015 49 K 4.0599 7.8401 118.6391 58.5530 32.3527 177.7485 50 V 4.0156 7.3365 110.0672 60.7465 32.4220 177.0432 51 A 3.9368 7.7546 125.9797 55.7228 18.0111 180.4819 52 H 4.2979 8.1227 108.4770 57.7178 28.5791 175.4371 53 L 4.6353 8.3292 119.1330 54.1993 43.5751 176.0273 54 V 4.8314 7.7623 118.6631 60.8520 34.7639 174.6924 55 R 4.4896 8.6272 127.0115 54.8096 31.6501 174.6654 56 V 4.5888 8.3370 126.5571 61.2828 33.6910 174.4288 57 E 4.6050 8.6023 126.8501 54.3438 32.8379 174.5496 58 V 4.1030 8.5122 127.3085 62.3169 32.1360 174.7745 59 V 4.4274 8.4962 129.6060 61.8321 36.0501 175.7563 *60 E 4.1603 8.6075 117.7919 56.1087 30.3181 175.1180 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 M 8.29 4.36 0.00 1.99 2.03 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.53 0.00 2 P 0.00 4.08 0.00 2.18 2.11 0.00 3.79 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.02 0.00 3 R 9.45 4.67 0.00 2.05 2.08 0.00 2.73 0.00 0.00 3.16 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.68 0.00 4 L 8.96 4.90 0.00 1.54 1.58 0.94 0.85 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 5 K 8.68 4.85 0.00 1.78 1.75 0.00 1.61 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.31 1.39 7.81 6 V 8.50 4.54 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 0.61 0.00 0.00 0.91 0.00 0.00 7 K 8.50 4.95 0.00 1.79 1.72 0.00 1.81 0.00 0.00 1.56 0.00 0.00 2.92 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.30 1.59 7.81 8 L 8.62 4.29 0.00 1.78 1.61 0.98 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 9 V 8.91 4.23 2.07 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 0.75 0.00 0.00 0.95 0.00 0.00 10 K 7.78 4.53 0.00 1.66 1.59 0.00 1.84 0.00 0.00 1.70 0.00 0.00 3.19 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.36 1.42 7.81 11 S 8.59 4.23 0.00 3.90 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 P 0.00 4.41 0.00 2.29 2.23 0.00 3.78 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.98 0.00 13 I 7.28 3.84 1.93 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 1.27 0.58 0.94 0.00 0.00 14 G 9.07 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 0.00 0.00 0.00 15 Y 7.91 4.49 0.00 3.06 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 16 P 0.00 4.43 0.00 2.30 2.01 0.00 3.94 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.22 0.00 17 K 8.70 3.97 0.00 1.78 1.89 0.00 1.73 0.00 0.00 1.89 0.00 0.00 3.03 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.55 1.47 7.81 18 D 8.25 4.43 0.00 2.88 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 19 Q 7.83 4.00 0.00 2.36 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.86 0.00 0.00 0.00 0.00 0.00 2.43 2.47 0.00 20 K 8.43 4.15 0.00 1.96 1.87 0.00 1.69 0.00 0.00 1.69 0.00 0.00 3.10 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.72 7.81 21 A 7.83 4.01 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 A 8.27 3.91 1.31 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 0.00 0.00 0.00 23 L 7.53 3.88 0.00 1.94 1.71 0.86 0.87 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 24 K 7.46 3.84 0.00 1.73 2.05 0.00 1.83 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.46 7.81 25 A 8.45 4.13 1.36 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 0.00 0.00 0.00 26 L 7.90 4.15 0.00 1.76 1.72 0.89 1.22 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 27 G 8.08 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 28 L 7.58 4.67 0.00 1.62 1.60 0.92 1.08 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 29 R 8.69 4.32 0.00 1.78 1.95 0.00 3.18 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 30 R 7.36 4.60 0.00 1.85 1.82 0.00 3.12 0.00 0.00 3.33 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 31 L 8.03 4.09 0.00 1.63 1.59 0.93 1.06 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 32 Q 9.32 4.00 0.00 2.15 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.83 0.00 0.00 0.00 0.00 0.00 2.25 2.41 0.00 33 Q 7.62 4.18 0.00 2.12 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.72 0.00 0.00 0.00 0.00 0.00 2.34 2.34 0.00 34 E 8.66 5.00 0.00 1.85 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 2.20 2.41 0.00 35 R 8.68 4.55 0.00 1.71 1.76 0.00 3.10 0.00 0.00 3.15 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 36 V 8.45 4.57 2.07 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 0.80 0.00 0.00 0.92 0.00 0.00 37 L 9.23 4.97 0.00 1.53 1.50 0.91 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 38 E 8.71 4.36 0.00 1.85 1.89 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 2.31 2.25 0.00 39 D 8.41 4.65 0.00 2.83 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 T 7.73 4.01 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 41 P 0.00 4.26 0.00 2.19 2.08 0.00 3.65 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.15 0.00 42 A 7.69 4.07 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 I 7.59 3.98 1.98 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 1.41 0.95 0.00 0.00 44 R 7.89 4.15 0.00 1.85 1.96 0.00 3.29 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.87 0.00 45 G 8.07 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 0.00 0.00 0.00 46 N 8.07 4.42 0.00 2.77 2.85 0.00 0.00 6.75 7.68 0.00 0.00 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 V 7.20 3.69 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.97 0.00 0.00 48 E 8.58 4.14 0.00 2.07 1.97 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 2.62 2.45 0.00 49 K 7.84 4.06 0.00 1.94 2.02 0.00 1.76 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.47 1.50 7.81 50 V 7.34 4.02 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 0.71 0.00 0.00 0.96 0.00 0.00 51 A 7.75 3.94 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.12 4.30 0.00 3.25 3.48 0.00 5.67 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 L 8.33 4.64 0.00 1.34 1.68 0.52 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 54 V 7.76 4.83 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 0.74 0.00 0.00 0.85 0.00 0.00 55 R 8.63 4.49 0.00 1.91 1.76 0.00 3.12 0.00 0.00 3.08 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.53 0.00 56 V 8.34 4.59 2.07 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 0.81 0.00 0.00 0.91 0.00 0.00 57 E 8.60 4.61 0.00 2.05 1.72 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 2.18 2.21 0.00 58 V 8.51 4.10 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 0.80 0.00 0.00 0.93 0.00 0.00 59 V 8.50 4.43 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 *60 E 8.61 4.16 0.00 1.77 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.