NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5556 8.1476 118.3246 55.2682 33.3774 173.9030 2 Q 4.8337 8.2782 118.8763 53.3470 31.0498 172.8333 3 I 4.4368 9.0467 115.2012 59.2419 42.3684 174.7390 4 F 5.2845 8.6754 121.6397 55.7527 41.8612 174.9796 5 V 4.8045 9.0849 123.3684 61.1177 33.8013 174.3710 6 K 4.8639 9.1943 129.3865 55.9586 33.5742 177.1080 7 T 4.7050 8.7353 115.6851 60.3649 71.1267 175.5891 8 L 4.3641 8.5204 120.7422 56.1266 42.2243 178.5854 9 T 3.9206 7.3497 109.2232 64.6664 68.6965 174.7645 10 G 3.8653 7.6841 108.6649 45.2558 0.0000 174.3302 11 K 4.0405 7.7013 121.5503 56.8682 32.7389 175.2461 12 T 4.9942 8.2159 120.1909 61.8476 71.3521 173.4193 13 I 4.2462 8.9804 128.4500 60.9083 38.7213 174.9776 14 T 4.9825 8.5502 123.5309 62.1904 70.0923 174.1338 15 L 4.7669 8.6589 125.4215 52.7938 45.8379 175.1538 16 E 4.7167 8.6961 123.7149 55.2923 30.3722 175.2002 17 V 4.7161 8.6816 119.8099 59.9705 36.4600 174.3540 18 E 4.7196 9.2665 120.1451 53.9841 32.4596 176.1374 19 P 4.1953 0.0000 0.0000 65.7776 31.5583 178.6426 20 S 4.2228 7.9225 110.5894 59.7914 63.5628 174.1722 21 D 4.4266 8.2469 124.0151 54.2677 41.1919 176.2159 22 T 4.5114 8.3494 114.5546 61.4895 70.8203 175.2702 23 I 3.6548 8.6728 124.7048 64.8407 37.2589 178.1322 24 E 3.8941 8.0338 119.4091 59.6305 29.3480 178.5630 25 N 4.3280 8.0997 116.8170 56.3994 38.9910 177.0237 26 V 3.5048 7.6883 119.7280 66.0366 31.6197 177.9715 27 K 4.2471 8.4936 119.4346 58.9078 31.9260 179.0432 28 A 3.9786 8.1036 120.7572 55.2292 17.8991 179.8692 29 K 3.9707 8.0295 116.8784 59.4941 31.9511 179.7389 30 I 3.8136 7.7625 120.3851 64.2294 37.0789 177.9908 31 Q 4.0861 8.2024 121.9691 58.8501 28.6325 178.3243 32 D 4.4308 8.1308 118.5224 56.3948 40.8223 178.0867 33 K 4.2938 7.3970 116.6930 58.1661 33.0337 177.8871 34 E 4.4333 8.9360 117.0267 55.8773 30.4265 177.4427 35 G 3.9397 8.0346 106.1024 44.8972 0.0000 173.3826 36 I 3.8859 7.4563 121.7256 59.9635 37.7807 173.6548 37 P 4.4444 0.0000 0.0000 62.2323 31.9734 175.4227 38 P 4.2514 0.0000 0.0000 65.8055 31.4187 177.5775 39 D 4.6031 8.0162 114.1154 53.7230 38.7440 176.1139 40 Q 4.4756 8.2135 118.0589 55.8221 30.5887 173.9338 41 Q 4.7997 8.0467 116.7661 55.3677 31.0122 174.7863 42 R 4.6982 9.0740 122.8603 54.4840 33.3095 174.4177 43 L 5.1905 8.4898 124.1833 53.1149 44.3159 175.5569 44 I 5.0680 8.7601 124.2078 59.5288 40.4632 174.5164 45 F 5.0094 8.9163 127.8462 57.0259 43.0823 174.1729 46 A 3.0944 8.7107 128.6246 53.3086 15.6963 177.4198 47 G 3.9137 8.3448 104.0139 47.2328 0.0000 174.1877 48 K 4.6547 7.6021 117.5849 54.1342 35.9393 175.4984 49 Q 4.7281 8.4984 121.2797 55.4695 29.6385 175.6137 50 L 3.9499 8.7280 124.8528 54.3968 42.7802 176.1662 51 E 4.5099 9.5719 123.7997 55.1747 31.1165 176.4818 52 D 4.3665 9.3055 125.3563 57.8439 40.9711 178.8572 53 G 3.8729 8.0979 103.1299 46.0444 0.0000 173.1315 54 R 4.5001 8.3119 120.4950 54.6321 32.3038 175.0945 55 T 5.0762 8.0270 108.6402 59.5489 71.5985 175.5522 56 L 4.0986 8.6114 122.2382 58.0115 41.5943 179.9373 57 S 4.1688 8.4245 114.5155 61.7074 62.4687 176.0417 58 D 4.4576 7.7523 120.3284 55.8169 40.5891 176.2700 59 Y 4.6989 7.5440 115.0100 56.8060 39.3167 174.9886 60 N 4.2046 8.0744 116.9551 54.5436 37.7483 174.1345 61 I 3.4353 7.8544 117.7093 60.6722 36.9308 175.3242 62 Q 4.6672 8.0785 125.6019 53.1192 31.4131 175.2218 63 K 3.9620 8.1995 117.6970 58.8964 32.6936 176.6397 64 E 4.0721 8.7140 121.8308 56.1175 29.2196 174.5034 65 S 4.6398 7.7769 113.9394 59.2357 64.0965 173.0846 66 T 5.2065 8.7790 113.4276 60.1169 70.8569 173.4578 67 L 5.1274 9.1281 125.2265 53.5396 45.2068 174.8196 68 H 5.3861 8.9146 116.6569 53.9946 32.4695 172.8339 69 L 5.1006 8.5219 123.0558 53.3254 44.2844 175.5779 70 V 4.3884 8.9044 126.5416 61.0621 33.9239 174.4046 71 L 4.8748 8.5240 130.3894 54.0058 42.1995 177.8242 *72 R 4.1161 8.4899 121.7298 56.3914 30.0943 171.7592 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 8.15 4.56 0.00 2.06 2.20 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.68 0.00 2 Q 8.28 4.83 0.00 2.03 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.77 0.00 0.00 0.00 0.00 0.00 2.16 1.66 0.00 3 I 9.05 4.44 1.84 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.17 0.79 0.00 0.00 4 F 8.68 5.28 0.00 3.01 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 5 V 9.08 4.80 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 0.97 0.00 0.00 0.91 0.00 0.00 6 K 9.19 4.86 0.00 1.41 1.66 0.00 1.68 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.34 7.81 7 T 8.74 4.71 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 8 L 8.52 4.36 0.00 1.67 1.77 0.93 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.35 3.92 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 10 G 7.68 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 0.00 0.00 0.00 11 K 7.70 4.04 0.00 1.90 1.70 0.00 1.59 0.00 0.00 1.66 0.00 0.00 3.06 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.44 1.42 7.81 12 T 8.22 4.99 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 1.30 0.00 0.00 13 I 8.98 4.25 1.89 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 1.46 0.89 0.92 0.00 0.00 14 T 8.55 4.98 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 15 L 8.66 4.77 0.00 1.43 1.44 0.88 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.70 4.72 0.00 1.91 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 2.20 2.35 0.00 17 V 8.68 4.72 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 0.68 0.00 0.00 0.91 0.00 0.00 18 E 9.27 4.72 0.00 1.80 1.77 0.00 0.00 0.00 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 2.37 0.00 19 P 0.00 4.20 0.00 2.15 2.09 0.00 3.57 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 2.06 0.00 20 S 7.92 4.22 0.00 3.96 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 21 D 8.25 4.43 0.00 2.79 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 22 T 8.35 4.51 4.43 0.00 0.00 0.00 0.00 0.00 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 23 I 8.67 3.65 2.19 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 1.81 1.10 0.96 0.00 0.00 24 E 8.03 3.89 0.00 2.17 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 2.32 2.34 0.00 25 N 8.10 4.33 0.00 2.89 3.01 0.00 0.00 6.88 7.78 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 26 V 7.69 3.50 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 0.94 0.00 0.00 0.95 0.00 0.00 27 K 8.49 4.25 0.00 1.99 1.86 0.00 1.88 0.00 0.00 1.89 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.55 1.57 7.81 28 A 8.10 3.98 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.03 3.97 0.00 1.99 1.85 0.00 1.64 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.44 1.59 7.81 30 I 7.76 3.81 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 1.40 0.84 0.97 0.00 0.00 31 Q 8.20 4.09 0.00 2.20 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.34 0.00 32 D 8.13 4.43 0.00 2.87 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 K 7.40 4.29 0.00 1.76 1.85 0.00 1.68 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.40 1.59 7.81 34 E 8.94 4.43 0.00 2.01 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 2.27 2.45 0.00 35 G 8.03 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 36 I 7.46 3.89 1.87 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 1.42 1.12 0.91 0.00 0.00 37 P 0.00 4.44 0.00 2.17 2.00 0.00 3.61 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.12 0.00 38 P 0.00 4.25 0.00 2.17 2.11 0.00 3.59 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 39 D 8.02 4.60 0.00 2.79 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.21 4.48 0.00 2.08 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.88 0.00 0.00 0.00 0.00 0.00 2.24 2.29 0.00 41 Q 8.05 4.80 0.00 2.18 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.85 6.51 0.00 0.00 0.00 0.00 0.00 2.32 2.53 0.00 42 R 9.07 4.70 0.00 1.83 1.81 0.00 3.10 0.00 0.00 3.17 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 43 L 8.49 5.19 0.00 1.55 1.53 0.89 0.88 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 44 I 8.76 5.07 1.90 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 1.10 0.59 0.94 0.00 0.00 45 F 8.92 5.01 0.00 3.01 2.72 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 0.00 0.00 0.00 46 A 8.71 3.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 G 8.34 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 48 K 7.60 4.65 0.00 1.87 1.68 0.00 1.85 0.00 0.00 1.74 0.00 0.00 3.20 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.38 1.57 7.81 49 Q 8.50 4.73 0.00 1.94 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.93 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 50 L 8.73 3.95 0.00 1.36 1.34 0.72 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 51 E 9.57 4.51 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 2.43 2.58 0.00 52 D 9.31 4.37 0.00 2.75 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.10 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 0.00 0.00 0.00 54 R 8.31 4.50 0.00 1.98 1.83 0.00 3.22 0.00 0.00 3.19 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.74 0.00 55 T 8.03 5.08 4.45 0.00 0.00 0.00 0.00 0.00 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 56 L 8.61 4.10 0.00 1.85 1.70 0.92 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.42 4.17 0.00 4.00 4.18 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 58 D 7.75 4.46 0.00 2.39 2.35 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 59 Y 7.54 4.70 0.00 3.11 3.05 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 0.00 0.00 0.00 60 N 8.07 4.20 0.00 2.97 3.10 0.00 0.00 7.16 7.54 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 61 I 7.85 3.44 1.83 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.15 0.58 0.00 0.00 62 Q 8.08 4.67 0.00 2.14 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.81 6.98 0.00 0.00 0.00 0.00 0.00 2.28 2.48 0.00 63 K 8.20 3.96 0.00 1.83 1.80 0.00 1.61 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.41 1.45 7.81 64 E 8.71 4.07 0.00 2.18 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.55 0.00 65 S 7.78 4.64 0.00 3.75 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 66 T 8.78 5.21 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 67 L 9.13 5.13 0.00 1.62 1.64 0.74 0.75 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 68 H 8.91 5.39 0.00 3.15 3.19 0.00 5.75 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.52 5.10 0.00 1.62 1.53 0.93 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.90 4.39 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 1.00 0.00 0.00 0.94 0.00 0.00 71 L 8.52 4.87 0.00 1.56 1.62 0.93 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 *72 R 8.49 4.12 0.00 1.57 1.74 0.00 3.23 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.69 0.00 * Residues marked with a * may have inaccurate shift predictions.