NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.8503 8.3501 109.7347 44.9914 0.0000 173.3606 3 A 4.1656 7.9209 121.6777 50.5771 19.4070 175.8504 4 Q 4.3322 9.1379 124.2220 54.5959 31.2867 172.7618 5 V 4.5326 8.3119 126.5122 61.3338 33.3677 174.5573 6 S 4.7842 8.0792 123.1845 56.4427 67.0082 173.5560 7 S 5.0597 8.5265 117.3328 58.5197 63.6876 173.9513 8 Q 4.3635 9.0025 123.7913 54.8076 29.6912 176.2122 9 K 4.0365 8.6618 125.3263 55.6744 31.1968 175.9717 10 V 3.8569 8.1731 126.5899 62.0849 33.1968 175.4032 11 G 3.7293 8.7274 120.6291 45.9320 0.0000 176.3449 12 A 4.1409 8.9042 129.3012 51.4134 16.9916 177.1445 13 H 4.1892 8.2293 117.9948 56.0175 29.5175 175.7455 14 E 4.0116 8.8542 125.0763 56.4577 29.8928 177.2026 15 N 4.7333 8.6432 118.1302 54.5741 39.8795 175.4232 16 S 3.8102 8.4672 115.2912 59.9392 61.2682 175.8746 *23 S 4.1001 8.9620 124.6646 58.7569 63.1498 171.9112 24 T 4.2715 8.3491 122.5880 61.5749 68.2680 173.4424 25 I 4.5337 8.1709 128.1517 59.9974 39.4139 174.4831 26 N 5.7477 8.7887 122.8603 51.6840 42.1318 173.2272 27 Y 4.9494 8.8075 117.4852 55.8629 41.7076 174.2244 28 T 4.9464 8.5984 117.9022 62.5570 70.6884 174.2031 29 T 4.7097 8.7667 121.3274 61.8344 72.6928 172.9679 30 I 4.6540 8.0419 125.4855 59.3923 40.4390 174.8003 31 N 4.2465 8.6277 124.8989 53.0109 39.0592 174.7664 32 Y 4.4701 8.0114 120.3375 58.7465 38.8495 175.1495 33 Y 4.9199 7.5538 116.2760 55.7200 40.6703 175.7946 34 R 4.0143 8.7560 123.1376 59.2160 30.6963 176.6907 35 D 4.6522 8.1081 119.0972 53.2733 41.3524 177.3021 36 S 4.3776 9.0694 118.8584 60.2841 63.2063 176.3392 37 A 4.0019 8.0174 123.2357 55.1566 18.1766 178.6815 38 S 4.1837 8.0608 110.9617 60.6917 63.0192 174.7922 39 N 4.4643 8.1038 118.6732 52.6536 38.7662 174.7630 40 A 4.0511 8.3052 124.2371 51.7005 17.9929 176.8024 41 A 4.3029 8.2964 122.2175 51.3089 18.8166 178.1845 42 S 4.2331 8.8832 118.5554 60.3612 62.3205 175.5363 43 K 4.0273 7.2949 114.1783 56.5504 30.7421 176.5072 44 Q 4.1907 7.7316 120.0878 54.6144 26.8540 175.0675 45 D 4.3785 7.2716 120.0498 53.2479 42.8728 176.3871 46 F 4.9317 8.1099 119.3598 56.2381 41.2606 175.4017 47 S 4.9358 8.6101 117.4399 56.8333 65.5108 173.4710 48 Q 4.6878 8.2924 119.7526 54.1102 31.6767 173.9628 49 D 4.6823 8.3856 117.8627 52.6013 42.1715 174.5980 50 P 4.5920 0.0000 0.0000 65.1540 31.9690 179.0280 51 S 3.9766 8.2394 116.8681 61.5658 62.6535 176.9433 52 K 3.9162 7.7785 117.5188 59.0783 32.4516 177.5854 53 F 4.7786 8.1170 118.0379 59.3983 39.8049 177.2640 54 T 4.2573 7.9511 108.7921 63.4082 69.8000 174.4255 55 E 4.7800 8.4083 122.1125 55.1170 30.1301 174.9187 56 P 4.4695 0.0000 0.0000 63.0504 31.5553 176.6131 57 I 3.9881 7.4776 112.5119 60.7333 38.3408 176.0463 58 K 3.9819 8.6914 124.3284 59.4399 32.2764 176.8573 59 D 4.5938 7.9007 118.5766 52.8583 41.3142 176.1854 60 V 3.4640 8.3035 123.5397 63.2582 31.8917 174.7817 61 L 4.5232 8.3575 126.5560 54.1274 42.1817 175.8291 62 I 4.2851 8.0476 123.5119 59.2132 37.6143 176.4435 63 K 3.9288 8.7519 126.3387 59.8641 32.3183 178.2816 64 T 4.0021 7.8744 107.7998 63.0418 69.2870 174.4338 65 A 4.5077 7.6931 125.2762 49.6917 20.1664 175.1006 66 P 4.2947 0.0000 0.0000 62.9987 31.6322 176.3787 67 M 4.0712 8.8589 122.8137 57.4648 32.3991 175.8982 68 L 4.7032 7.7068 118.1098 52.8122 43.6972 175.6991 69 N 4.4778 8.5274 121.2779 53.9565 38.9252 173.7020 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 3.85 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 3 A 7.92 4.17 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 9.14 4.33 0.00 2.11 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.69 0.00 0.00 0.00 0.00 0.00 2.21 2.21 0.00 5 V 8.31 4.53 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 0.86 0.00 0.00 6 S 8.08 4.78 0.00 3.25 3.60 0.00 0.00 0.00 0.00 0.00 0.00 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 5.06 0.00 3.80 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 8 Q 9.00 4.36 0.00 1.94 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 7.12 0.00 0.00 0.00 0.00 0.00 2.42 2.62 0.00 9 K 8.66 4.04 0.00 1.72 1.76 0.00 1.78 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.43 7.81 10 V 8.17 3.86 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 0.72 0.00 0.00 0.95 0.00 0.00 11 G 8.73 3.73 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 0.00 0.00 0.00 12 A 8.90 4.14 1.24 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 0.00 0.00 13 H 8.23 4.19 0.00 3.14 3.28 0.00 5.73 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 E 8.85 4.01 0.00 2.00 1.86 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 2.48 2.33 0.00 15 N 8.64 4.73 0.00 2.73 2.80 0.00 0.00 7.07 7.63 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 16 S 8.47 3.81 0.00 3.92 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 *23 S 8.96 4.10 0.00 3.86 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 24 T 8.35 4.27 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 8.17 4.53 1.91 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 1.37 0.54 1.00 0.00 0.00 26 N 8.79 5.75 0.00 2.58 2.75 0.00 0.00 6.77 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 8.81 4.95 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 4.95 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 1.19 0.00 0.00 29 T 8.77 4.71 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 30 I 8.04 4.65 1.79 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 1.31 0.57 0.89 0.00 0.00 31 N 8.63 4.25 0.00 2.63 2.71 0.00 0.00 7.11 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 8.01 4.47 0.00 2.30 2.45 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 33 Y 7.55 4.92 0.00 2.97 2.83 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 34 R 8.76 4.01 0.00 1.82 2.03 0.00 3.26 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 35 D 8.11 4.65 0.00 2.75 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 9.07 4.38 0.00 4.01 4.15 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 0.00 0.00 0.00 0.00 37 A 8.02 4.00 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 8.06 4.18 0.00 4.06 3.73 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 39 N 8.10 4.46 0.00 2.88 2.74 0.00 0.00 6.71 7.08 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 40 A 8.31 4.05 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 41 A 8.30 4.30 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 8.88 4.23 0.00 3.84 3.93 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 43 K 7.29 4.03 0.00 1.98 1.88 0.00 1.57 0.00 0.00 1.66 0.00 0.00 3.08 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.32 1.36 7.81 44 Q 7.73 4.19 0.00 1.96 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.76 6.85 0.00 0.00 0.00 0.00 0.00 2.33 2.32 0.00 45 D 7.27 4.38 0.00 2.60 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 8.11 4.93 0.00 3.11 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 47 S 8.61 4.94 0.00 3.89 3.79 0.00 0.00 0.00 0.00 0.00 0.00 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 8.29 4.69 0.00 2.12 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.88 0.00 0.00 0.00 0.00 0.00 2.28 2.36 0.00 49 D 8.39 4.68 0.00 2.65 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 4.59 0.00 2.35 2.43 0.00 3.81 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 2.12 2.05 0.00 51 S 8.24 3.98 0.00 3.93 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 52 K 7.78 3.92 0.00 1.45 1.68 0.00 0.72 0.00 0.00 1.34 0.00 0.00 2.76 0.00 0.00 2.89 0.00 0.00 0.00 0.00 0.93 0.21 7.81 53 F 8.12 4.78 0.00 3.14 3.08 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 0.00 0.00 0.00 0.00 54 T 7.95 4.26 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 1.29 0.00 0.00 55 E 8.41 4.78 0.00 1.95 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 2.21 2.21 0.00 56 P 0.00 4.47 0.00 2.17 2.22 0.00 3.78 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.10 0.00 57 I 7.48 3.99 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 1.30 0.66 0.91 0.00 0.00 58 K 8.69 3.98 0.00 1.73 1.87 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.46 7.81 59 D 7.90 4.59 0.00 2.70 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 8.30 3.46 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 0.92 0.00 0.00 61 L 8.36 4.52 0.00 1.76 1.64 0.95 0.68 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 8.05 4.29 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 0.54 0.91 0.00 0.00 63 K 8.75 3.93 0.00 1.86 1.97 0.00 1.57 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.45 7.81 64 T 7.87 4.00 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 4.51 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 4.29 0.00 2.34 2.09 0.00 3.78 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 67 M 8.86 4.07 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 2.59 2.63 0.00 68 L 7.71 4.70 0.00 1.64 1.56 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 69 N 8.53 4.48 0.00 2.62 2.60 0.00 0.00 7.08 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.