NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5001 M 4.4261 8.1627 120.3524 55.8826 34.4124 177.0578 5002 T 3.8558 8.0812 112.6410 65.6093 67.1636 173.3665 5003 I 3.7282 8.3845 120.3377 64.8808 37.4265 177.0128 5004 L 3.7584 7.8375 119.0600 58.8414 42.2013 178.8966 5005 F 4.1949 8.8216 120.0361 61.7664 39.4303 177.1539 5006 Q 3.4989 8.9737 118.1625 59.1912 28.4491 179.5582 5007 L 3.9801 7.7795 117.8702 57.5335 41.8748 179.2619 5008 A 4.0444 8.3177 121.0473 55.2012 18.3796 179.3985 5009 L 3.6938 8.1515 118.7367 58.1761 41.9082 179.0649 5010 A 4.0539 8.4341 120.4499 54.3870 18.1703 179.5905 5011 A 3.9159 7.7502 119.9798 55.2069 18.7752 179.4911 5012 L 4.0022 7.8303 117.9894 58.0436 41.8930 178.5629 5013 V 3.8954 7.3238 117.3985 65.6051 31.4867 177.6224 5014 I 3.7353 7.7542 119.1704 64.4764 37.0775 178.2454 5015 L 4.0197 8.4540 121.3839 58.3357 41.8924 179.2778 5016 S 4.2702 7.9663 113.7974 61.4953 62.9408 176.2199 5017 F 3.8721 8.6824 123.7706 61.3725 39.0507 177.2032 5018 V 3.7467 8.2794 117.8099 66.3860 31.2861 177.5020 5019 M 3.9331 8.3598 118.6610 58.5905 31.6320 178.5768 5020 V 3.4695 7.5092 116.6646 66.5502 31.3724 177.9438 5021 I 3.9893 7.6688 118.6863 64.5574 36.2972 177.5139 5022 G 3.7521 8.8924 107.9242 45.2356 0.0000 176.3688 5023 V 3.3475 7.6969 118.8349 64.6307 32.4593 176.3949 5024 P 4.3518 0.0000 0.0000 65.4696 31.2643 178.4485 5025 V 3.5550 7.6513 115.5075 66.8816 31.1921 177.2971 5026 A 3.9268 9.1690 119.4912 55.1877 18.0903 178.3525 5027 Y 4.5267 8.4672 115.9663 61.2236 38.4350 179.0562 5028 A 4.4516 8.8099 120.5978 52.8704 19.2086 178.1576 5029 S 4.5737 7.9128 113.8364 55.7431 62.7278 172.7803 5030 P 4.3277 0.0000 0.0000 66.4090 31.5956 178.4251 5031 Q 4.2122 7.2788 118.4885 55.5946 25.3296 181.2098 5032 D 4.6062 8.3928 128.7899 54.4282 36.2689 176.7550 *5033 W 4.5633 7.9170 123.4267 60.1483 28.7617 178.6594 5034 D 4.9650 7.8321 124.5969 58.8468 40.1638 184.1906 5035 R 4.1342 7.8976 123.7056 62.3080 29.5884 181.9963 5036 S 4.4529 8.1996 121.7843 63.3072 62.0034 178.7009 5037 K 4.0804 8.3403 128.1669 61.2311 31.2806 182.7229 5038 Q 4.3620 7.8081 121.9445 59.7375 28.1550 180.0298 5039 L 4.0831 7.9612 120.2928 58.0939 41.7435 179.8290 5040 I 3.6418 8.5488 119.9892 64.6766 37.2477 178.3106 5041 F 4.1220 8.0495 120.9941 61.1487 39.0159 176.7314 5042 L 3.9384 8.0219 120.3620 57.7306 41.8817 178.6997 5043 G 3.8522 8.1700 105.4654 48.5433 0.0000 174.9117 5044 S 4.3877 8.3246 118.2887 61.4034 62.8573 176.9135 5045 G 3.4455 7.6845 107.0916 47.8718 0.0000 174.7428 5046 L 3.9178 8.1183 123.7202 57.5058 41.9975 178.6837 5047 W 4.1313 8.9794 128.8822 60.7981 30.4944 177.5445 5048 I 3.7115 8.1403 119.1376 64.5386 36.6197 178.0062 5049 A 3.9418 8.0655 121.0496 55.2526 18.2157 179.2259 5050 L 3.7936 8.0897 117.6767 58.2342 41.7351 179.8124 5051 V 3.2560 7.5965 117.8235 66.2702 31.2327 177.8757 5052 L 4.0412 8.0592 118.5303 57.8120 41.3394 180.0157 5053 V 3.5958 8.3195 118.3896 66.1273 31.5144 178.2875 5054 V 3.8466 8.2660 118.5831 65.7959 31.0494 177.8560 5055 G 3.7019 8.2374 105.2290 48.0733 0.0000 175.4439 5056 V 3.9467 7.6256 121.3344 65.5158 31.4402 178.0789 5057 L 4.1606 8.3458 119.0166 57.6149 41.3360 178.8876 5058 N 3.4708 8.0146 117.2739 56.6595 38.5414 176.7740 5059 F 4.0359 6.7984 117.4368 60.5346 39.0730 177.1883 5060 F 4.6669 7.2999 114.8479 59.3417 38.7770 176.1102 5061 V 4.1281 7.4994 118.8854 64.8982 32.6603 176.2039 5062 V 3.7610 7.3068 120.1455 61.0846 31.4418 178.0963 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 5001 M 8.16 4.43 0.00 2.14 2.11 0.00 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.66 0.00 5002 T 8.08 3.86 4.31 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 1.30 0.00 0.00 5003 I 8.38 3.73 1.89 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 1.54 0.43 0.92 0.00 0.00 5004 L 7.84 3.76 0.00 1.78 2.00 0.95 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 5005 F 8.82 4.19 0.00 3.16 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 5006 Q 8.97 3.50 0.00 2.14 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.57 0.00 0.00 0.00 0.00 0.00 2.38 2.68 0.00 5007 L 7.78 3.98 0.00 1.70 1.69 0.91 0.65 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 5008 A 8.32 4.04 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 5009 L 8.15 3.69 0.00 1.13 1.27 0.80 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 5010 A 8.43 4.05 1.32 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 0.00 0.00 5011 A 7.75 3.92 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 5012 L 7.83 4.00 0.00 1.58 1.78 0.17 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 5013 V 7.32 3.90 2.27 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 1.12 0.00 0.00 0.97 0.00 0.00 5014 I 7.75 3.74 1.87 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.66 0.85 0.00 0.00 5015 L 8.45 4.02 0.00 1.78 1.91 1.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 5016 S 7.97 4.27 0.00 4.43 4.09 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 5017 F 8.68 3.87 0.00 3.21 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 5018 V 8.28 3.75 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 1.11 0.00 0.00 1.11 0.00 0.00 5019 M 8.36 3.93 0.00 1.89 2.19 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.99 0.00 5020 V 7.51 3.47 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 0.64 0.00 0.00 0.84 0.00 0.00 5021 I 7.67 3.99 1.91 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 1.57 1.35 0.94 0.00 0.00 5022 G 8.89 3.75 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 0.00 0.00 0.00 0.00 0.00 0.00 5023 V 7.70 3.35 2.04 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 0.85 0.00 0.00 0.73 0.00 0.00 5024 P 0.00 4.35 0.00 2.18 2.05 0.00 3.75 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.13 0.00 5025 V 7.65 3.55 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 1.01 0.00 0.00 1.04 0.00 0.00 5026 A 9.17 3.93 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5027 Y 8.47 4.53 0.00 3.13 2.93 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 0.00 0.00 0.00 5028 A 8.81 4.45 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5029 S 7.91 4.57 0.00 4.05 4.02 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 5030 P 0.00 4.33 0.00 2.07 2.19 0.00 3.70 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.12 0.00 5031 Q 7.28 4.21 0.00 2.12 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.21 0.00 0.00 0.00 0.00 0.00 2.31 2.18 0.00 5032 D 8.39 4.61 0.00 2.74 2.91 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 *5033 W 7.92 4.56 0.00 2.59 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5034 D 7.83 4.96 0.00 2.70 2.68 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 0.00 0.00 0.00 0.00 5035 R 7.90 4.13 0.00 1.81 1.96 0.00 3.22 0.00 0.00 3.37 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.26 0.00 5036 S 8.20 4.45 0.00 3.73 3.90 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 0.00 0.00 0.00 0.00 5037 K 8.34 4.08 0.00 1.75 1.87 0.00 1.76 0.00 0.00 1.85 0.00 0.00 2.91 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.45 1.10 7.81 5038 Q 7.81 4.36 0.00 2.08 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.60 0.00 0.00 0.00 0.00 0.00 2.29 2.27 0.00 5039 L 7.96 4.08 0.00 1.89 1.77 0.91 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 5040 I 8.55 3.64 1.93 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.71 0.84 0.00 0.00 5041 F 8.05 4.12 0.00 3.25 3.34 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 5042 L 8.02 3.94 0.00 1.88 1.87 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 5043 G 8.17 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5044 S 8.32 4.39 0.00 3.69 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 5045 G 7.68 3.45 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 0.00 0.00 0.00 0.00 5046 L 8.12 3.92 0.00 1.74 2.03 0.92 0.89 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 5047 W 8.98 4.13 0.00 3.53 3.35 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 5048 I 8.14 3.71 2.10 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.97 0.96 0.00 0.00 5049 A 8.07 3.94 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 5050 L 8.09 3.79 0.00 1.69 1.53 0.89 0.71 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 5051 V 7.60 3.26 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 0.83 0.00 0.00 -0.20 0.00 0.00 5052 L 8.06 4.04 0.00 1.85 1.72 0.93 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 5053 V 8.32 3.60 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 1.13 0.00 0.00 0.94 0.00 0.00 5054 V 8.27 3.85 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 1.17 0.00 0.00 0.92 0.00 0.00 5055 G 8.24 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5056 V 7.63 3.95 2.28 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 1.01 0.00 0.00 1.01 0.00 0.00 5057 L 8.35 4.16 0.00 2.16 1.89 1.17 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 5058 N 8.01 3.47 0.00 2.41 2.53 0.00 0.00 7.11 7.95 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 5059 F 6.80 4.04 0.00 2.73 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 5060 F 7.30 4.67 0.00 3.12 2.99 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 5061 V 7.50 4.13 1.74 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 0.74 0.00 0.00 0.51 0.00 0.00 5062 V 7.31 3.76 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 0.76 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.