NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.8387 8.3501 109.7343 44.8284 0.0000 173.3792 3 A 4.0892 7.9261 122.3854 50.8068 19.1187 175.6301 4 Q 4.3782 9.3985 124.9950 54.5343 31.4018 172.7045 5 V 4.6445 8.2676 126.1161 61.2689 33.6193 174.5492 6 S 4.8347 8.2281 122.8304 56.6068 67.5973 173.0385 7 S 5.2432 8.5316 115.7755 57.7044 64.2825 174.0104 8 Q 4.2930 8.9853 121.9267 55.4648 29.7895 176.4219 9 K 4.1406 8.4621 123.7988 54.8656 31.2931 176.1585 10 V 3.6227 8.1815 126.5613 62.4301 31.2482 175.1581 11 G 3.5330 8.0418 119.0367 46.7017 0.0000 172.5960 12 A 4.2880 7.7859 122.5252 50.8604 20.3088 176.8459 13 H 4.9506 8.4268 119.4098 53.9898 31.1746 174.8479 14 E 3.9196 8.7759 124.1874 58.9668 29.8957 176.3594 *23 S 4.2780 7.5138 109.9787 58.2117 64.1057 171.8022 24 T 4.2524 8.3031 114.3187 61.7926 67.9613 174.1899 25 I 4.3934 8.2594 129.2591 60.3921 38.9293 174.8660 26 N 5.6414 8.7966 123.9126 51.9692 41.3572 173.3243 27 Y 5.0075 8.8582 117.5897 55.8299 41.9715 174.1431 28 T 5.0611 8.5982 116.2186 62.1718 71.6896 173.8863 29 T 4.6461 8.8725 121.2681 61.8495 72.5139 172.8388 30 I 4.6354 8.1274 126.4526 59.2995 39.9147 174.9828 31 N 4.2692 8.5779 124.9423 53.0619 38.9762 174.8124 32 Y 4.4704 8.0981 120.2404 58.7772 38.7257 174.8628 33 Y 4.9147 7.6257 116.1378 55.7051 41.2738 175.7326 34 R 4.0321 8.7246 121.6060 58.6776 30.7234 176.2857 35 D 4.7928 8.0703 118.8782 52.5134 41.9867 177.1234 36 S 4.1820 8.9291 119.4782 61.2797 62.9778 176.5099 37 A 4.0251 8.0786 122.8394 55.2259 18.1865 178.8036 38 S 4.1264 8.1968 111.4254 61.0646 63.0854 174.9794 39 N 4.4278 7.7087 116.8664 52.7359 38.7046 174.6381 40 A 4.1672 8.3319 124.0384 51.8035 18.2069 176.8271 41 A 4.3319 8.3179 122.6552 51.5147 19.1216 179.2401 42 S 4.2548 8.7848 118.1628 59.3963 63.3686 175.0008 43 K 4.1938 7.2245 114.5313 56.3177 30.1328 176.4044 44 Q 4.2221 7.9158 120.0467 54.4467 27.1111 174.7442 45 D 4.8726 7.5539 120.8744 52.2123 43.9523 175.4636 46 F 4.7665 8.3983 119.2521 56.0242 40.9979 176.1436 47 S 4.7449 8.4865 120.0272 57.6990 64.1805 173.2311 48 Q 4.6430 8.0610 118.5466 54.1175 31.5682 174.2168 49 D 4.4775 8.5095 118.7354 53.6330 41.8429 174.6377 50 P 4.6117 0.0000 0.0000 64.3121 32.1118 178.3019 51 S 4.0732 8.1052 117.1342 61.7608 62.8008 176.9955 52 K 3.7550 7.7892 117.1839 58.7680 32.3563 177.2773 53 F 4.8503 8.0376 117.8974 58.7922 40.6202 176.9494 54 T 4.2756 8.0245 109.2702 63.3485 69.6229 174.6887 55 E 4.7841 8.2432 122.0606 55.1195 30.1555 175.5589 56 P 4.6333 0.0000 0.0000 63.1430 31.2000 176.3851 57 I 4.0598 7.6889 112.7109 60.6238 38.4414 175.9837 58 K 3.9242 8.7159 124.0714 58.9872 32.2555 176.4245 59 D 4.6597 7.9062 119.1226 53.3955 41.0668 175.9693 60 V 3.2092 7.5425 123.0511 61.2260 31.8510 174.9195 61 L 4.2591 8.4261 128.5833 54.7861 41.4390 176.1851 62 I 4.2069 8.1605 125.3280 59.2540 37.0326 176.5245 63 K 3.9645 8.6984 126.3361 59.5267 32.3295 178.1650 64 T 4.0549 7.8462 108.0979 62.9769 69.4028 174.6935 65 A 4.4515 7.6934 125.1275 49.8149 18.6138 175.1434 66 P 4.2766 0.0000 0.0000 63.2488 31.5071 177.4755 67 M 4.2501 8.7447 122.1372 57.2394 32.5336 175.7427 68 L 4.7529 7.2387 116.6872 52.7640 44.1276 175.8865 69 N 4.5025 8.5620 121.0867 53.8986 39.0644 173.6575 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 2 G 8.35 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 0.00 0.00 0.00 3 A 7.93 4.09 1.23 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 0.00 0.00 0.00 4 Q 9.40 4.38 0.00 2.07 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.70 0.00 0.00 0.00 0.00 0.00 2.21 2.20 0.00 5 V 8.27 4.64 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 0.79 0.00 0.00 0.87 0.00 0.00 6 S 8.23 4.83 0.00 3.33 3.62 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 7 S 8.53 5.24 0.00 3.92 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 Q 8.99 4.29 0.00 1.97 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 7.05 0.00 0.00 0.00 0.00 0.00 2.33 2.62 0.00 9 K 8.46 4.14 0.00 1.71 1.74 0.00 1.76 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.38 1.42 7.81 10 V 8.18 3.62 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.95 0.00 0.00 11 G 8.04 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.79 4.29 1.22 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 0.00 0.00 0.00 13 H 8.43 4.95 0.00 3.12 3.22 0.00 5.70 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 E 8.78 3.92 0.00 1.93 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 2.30 2.30 0.00 *23 S 7.51 4.28 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 24 T 8.30 4.25 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 1.22 0.00 0.00 25 I 8.26 4.39 2.01 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 1.37 0.63 0.99 0.00 0.00 26 N 8.80 5.64 0.00 2.60 2.77 0.00 0.00 6.84 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 Y 8.86 5.01 0.00 2.95 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 28 T 8.60 5.06 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 1.18 0.00 0.00 29 T 8.87 4.65 4.16 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 0.00 0.00 0.00 1.17 0.00 0.00 30 I 8.13 4.64 1.72 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.58 0.86 0.00 0.00 31 N 8.58 4.27 0.00 2.65 2.73 0.00 0.00 7.12 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 Y 8.10 4.47 0.00 2.58 2.54 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 33 Y 7.63 4.91 0.00 2.92 2.85 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 34 R 8.72 4.03 0.00 1.83 2.02 0.00 3.25 0.00 0.00 3.26 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 35 D 8.07 4.79 0.00 2.74 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.93 4.18 0.00 4.01 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 37 A 8.08 4.03 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 S 8.20 4.13 0.00 3.96 3.63 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 39 N 7.71 4.43 0.00 2.82 2.77 0.00 0.00 6.95 6.72 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 40 A 8.33 4.17 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 41 A 8.32 4.33 1.27 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 0.00 0.00 0.00 0.00 0.00 0.00 42 S 8.78 4.25 0.00 4.04 4.05 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 43 K 7.22 4.19 0.00 1.86 1.88 0.00 1.65 0.00 0.00 1.54 0.00 0.00 2.96 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.36 1.46 7.81 44 Q 7.92 4.22 0.00 2.04 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.28 6.71 0.00 0.00 0.00 0.00 0.00 2.34 2.51 0.00 45 D 7.55 4.87 0.00 2.59 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.40 4.77 0.00 3.13 3.04 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 0.00 0.00 0.00 0.00 47 S 8.49 4.74 0.00 3.91 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 48 Q 8.06 4.64 0.00 2.12 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.93 0.00 0.00 0.00 0.00 0.00 2.29 2.36 0.00 49 D 8.51 4.48 0.00 2.65 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 50 P 0.00 4.61 0.00 2.35 2.40 0.00 3.82 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.04 0.00 51 S 8.11 4.07 0.00 3.92 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 52 K 7.79 3.76 0.00 1.42 1.64 0.00 0.99 0.00 0.00 1.24 0.00 0.00 2.86 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.72 0.21 7.81 53 F 8.04 4.85 0.00 3.03 3.06 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 54 T 8.02 4.28 4.28 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 1.30 0.00 0.00 55 E 8.24 4.78 0.00 1.98 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 0.00 2.21 2.21 0.00 56 P 0.00 4.63 0.00 2.17 2.23 0.00 3.78 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.16 0.00 57 I 7.69 4.06 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.67 0.91 0.00 0.00 58 K 8.72 3.92 0.00 1.73 1.87 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.46 7.81 59 D 7.91 4.66 0.00 2.69 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 60 V 7.54 3.21 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 61 L 8.43 4.26 0.00 1.77 1.67 0.95 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 62 I 8.16 4.21 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.74 0.91 0.00 0.00 63 K 8.70 3.96 0.00 1.86 1.97 0.00 1.57 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.45 7.81 64 T 7.85 4.05 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 65 A 7.69 4.45 1.30 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 0.00 0.00 0.00 66 P 0.00 4.28 0.00 2.41 2.22 0.00 3.70 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.97 0.00 67 M 8.74 4.25 0.00 1.98 2.14 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.63 0.00 68 L 7.24 4.75 0.00 1.60 1.54 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 69 N 8.56 4.50 0.00 2.62 2.60 0.00 0.00 7.06 7.56 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 * Residues marked with a * may have inaccurate shift predictions.