NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.1876 8.2649 123.5826 52.0237 20.0670 176.2133 3 K 3.4875 8.3061 122.4126 56.3014 28.5329 170.3130 4 E 4.4517 8.6373 119.2652 54.8125 32.5464 174.4329 5 P 4.7340 0.0000 0.0000 62.5533 28.7666 176.7267 6 C 5.0004 7.7822 124.1623 56.9520 32.1386 175.2091 7 V 4.0408 8.0302 117.3988 62.4811 31.3138 175.9523 8 E 4.1454 7.8978 119.4143 58.7432 29.0100 179.0314 9 S 4.1845 7.9628 114.0192 61.3367 63.2429 175.6815 10 L 4.2234 7.6870 121.5945 55.9313 41.9086 179.1311 11 V 3.8353 7.6699 118.0734 65.5291 30.9779 177.9388 12 S 4.1051 7.9324 114.2313 61.3120 62.7542 176.5457 13 Q 3.9094 7.5523 121.7905 58.8410 28.4668 178.0288 14 Y 4.1109 7.2105 117.4656 61.0192 37.8088 178.5622 15 F 4.6252 7.6463 118.3454 60.7192 39.1982 177.6003 16 Q 4.0606 7.8269 117.0662 59.1842 28.2438 178.8301 17 T 3.6770 7.5165 116.0376 66.3036 68.5708 176.7263 18 V 3.5989 7.6056 119.8542 66.2099 31.7559 178.1178 19 T 3.9025 7.9449 112.7085 65.0050 66.9797 175.9446 20 D 4.3819 7.8478 120.8239 57.3952 40.7842 178.2307 21 Y 5.0178 7.0098 119.1114 60.5651 37.8482 178.5508 22 G 3.8208 8.0605 106.0482 47.2914 0.0000 175.8105 23 K 4.1393 7.9650 120.5995 59.3282 31.9205 179.1084 24 D 4.6815 7.9321 120.8890 56.6587 40.6075 178.4478 25 L 4.1982 7.6176 117.7579 57.1774 41.8181 178.9303 26 M 4.0721 7.9712 118.7379 58.5704 31.0076 178.0341 27 E 4.1450 8.1809 118.8304 58.2162 29.5395 177.6050 28 K 4.5984 7.5442 118.2629 56.0913 33.6993 177.7326 29 V 4.5149 7.5917 116.7312 62.0262 35.0064 176.3672 30 K 4.1773 7.8436 119.1797 59.0010 32.4827 178.2963 31 S 4.4498 7.5831 110.2948 60.0158 63.6996 174.4431 32 P 4.3217 0.0000 0.0000 65.1622 31.3240 177.9914 33 E 4.0668 8.3520 116.8514 58.9118 29.3939 177.4644 34 L 4.7896 7.9295 117.0714 54.3925 42.9591 176.4799 35 Q 4.4687 7.6120 120.2119 55.4217 31.2101 176.7274 *37 E 4.2657 7.8515 119.2907 56.1248 30.5627 179.2839 *39 K 4.7281 8.6560 128.6269 57.3520 34.0587 177.6516 40 S 4.1934 7.9053 113.9262 61.8460 62.6188 176.1583 41 Y 4.2683 7.2637 119.7162 60.7393 37.4706 178.1088 42 F 4.3812 8.0237 118.1939 60.0680 39.1498 177.4838 43 E 4.0501 8.2556 118.3572 59.2093 29.0243 179.1445 44 K 4.3024 8.5652 120.2038 58.8085 32.0394 179.5674 45 S 4.3341 8.1511 114.7260 61.5419 63.0773 176.8305 46 K 4.1409 7.7883 121.5554 58.5939 31.4561 178.2997 47 E 4.3644 8.0170 116.8387 57.2828 29.2663 177.8297 48 Q 4.4792 7.2190 118.3702 56.8537 30.9954 177.6186 49 L 4.1433 7.8873 119.9371 58.0766 41.9513 179.5436 50 T 3.9629 7.7389 114.9948 66.3576 68.5904 175.2114 51 P 4.3625 0.0000 0.0000 64.7294 31.0344 178.3940 52 L 3.9262 7.2541 117.7988 58.3095 42.2001 178.6719 53 I 3.9589 7.6426 119.1774 64.0662 37.3401 177.9138 54 K 4.2041 8.0057 117.7806 57.8561 31.8015 178.8826 55 K 4.0290 8.0811 120.3455 58.7874 32.0029 178.2339 56 A 4.1408 7.9050 121.0863 54.5481 17.9490 179.5883 57 G 3.5279 7.8337 104.0583 47.2515 0.0000 174.7628 58 T 4.4748 7.4021 111.6038 62.2069 68.0470 173.5104 59 E 3.8858 7.6417 118.3734 58.0234 32.2761 177.4108 60 L 4.0459 7.6106 117.9229 57.7813 42.3466 179.5097 61 V 3.5779 7.9532 118.5193 66.0498 31.2715 177.9093 62 N 4.2314 7.7378 115.8148 55.9710 38.5051 177.3692 63 F 4.5465 7.4744 119.5428 60.7317 38.8795 177.8196 64 L 4.5423 8.3633 117.6125 57.5527 41.4711 179.1601 65 S 4.3629 8.1356 112.9357 61.1805 62.7162 174.8913 66 Y 4.6975 7.9537 117.3417 58.5460 37.8530 176.9406 67 F 4.3072 8.1174 121.4667 60.0483 39.6980 175.8926 68 V 4.1717 7.7206 116.3722 63.2995 31.5127 176.7559 69 E 3.8911 8.0532 118.8547 60.2416 29.3379 178.9943 70 L 4.6424 7.4838 120.9520 57.0504 41.8963 177.9174 71 G 4.1633 7.4598 103.8112 45.1573 0.0000 174.1570 72 T 4.5776 7.2747 113.7412 62.4550 72.3284 173.8760 73 Q 4.4705 8.5053 116.9523 55.7196 30.2153 173.6109 *75 A 4.4055 8.0234 126.4419 51.9307 21.8489 178.0243 76 T 3.7921 7.8658 113.4501 65.0467 67.9306 175.1332 77 Q 4.1168 8.8930 129.8938 56.9082 29.0839 175.0042 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 A 8.26 4.19 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 3 K 8.31 3.49 0.00 1.98 1.87 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.34 1.55 7.81 4 E 8.64 4.45 0.00 1.87 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.28 0.00 5 P 0.00 4.73 0.00 2.09 2.02 0.00 3.73 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 6 C 7.78 5.00 0.00 2.91 2.89 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 0.00 0.00 0.00 7 V 8.03 4.04 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 0.82 0.00 0.00 0.95 0.00 0.00 8 E 7.90 4.15 0.00 2.16 2.12 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 2.42 2.49 0.00 9 S 7.96 4.18 0.00 4.00 3.99 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 10 L 7.69 4.22 0.00 1.69 1.65 0.91 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 11 V 7.67 3.84 2.01 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 0.77 0.00 0.00 0.98 0.00 0.00 12 S 7.93 4.11 0.00 4.16 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 0.00 13 Q 7.55 3.91 0.00 1.78 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.84 0.00 0.00 0.00 0.00 0.00 2.24 2.23 0.00 14 Y 7.21 4.11 0.00 2.89 2.82 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 15 F 7.65 4.63 0.00 3.26 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 16 Q 7.83 4.06 0.00 2.26 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.64 0.00 17 T 7.52 3.68 4.33 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 0.00 0.00 1.01 0.00 0.00 18 V 7.61 3.60 2.30 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 1.09 0.00 0.00 1.09 0.00 0.00 19 T 7.94 3.90 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 1.27 0.00 0.00 20 D 7.85 4.38 0.00 2.68 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 21 Y 7.01 5.02 0.00 3.16 2.92 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.06 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 0.00 0.00 0.00 23 K 7.96 4.14 0.00 2.08 1.89 0.00 1.80 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.76 7.81 24 D 7.93 4.68 0.00 2.85 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 25 L 7.62 4.20 0.00 1.93 1.73 0.96 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 26 M 7.97 4.07 0.00 2.29 2.18 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.60 0.00 27 E 8.18 4.15 0.00 2.17 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 0.00 2.35 2.60 0.00 28 K 7.54 4.60 0.00 1.69 1.83 0.00 1.69 0.00 0.00 1.77 0.00 0.00 3.08 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.43 1.58 7.81 29 V 7.59 4.51 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.95 0.00 0.00 30 K 7.84 4.18 0.00 1.93 1.92 0.00 1.71 0.00 0.00 1.77 0.00 0.00 2.85 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.48 1.60 7.81 31 S 7.58 4.45 0.00 4.07 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 32 P 0.00 4.32 0.00 2.22 2.19 0.00 3.62 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.28 0.00 33 E 8.35 4.07 0.00 1.97 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.47 0.00 34 L 7.93 4.79 0.00 1.57 1.53 0.86 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 35 Q 7.61 4.47 0.00 2.18 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.75 6.50 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 *37 E 7.85 4.27 0.00 1.67 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 2.13 2.23 0.00 *39 K 8.66 4.73 0.00 1.87 1.97 0.00 1.68 0.00 0.00 1.87 0.00 0.00 2.97 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.47 1.49 7.81 40 S 7.91 4.19 0.00 3.85 4.04 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 41 Y 7.26 4.27 0.00 2.63 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.02 4.38 0.00 3.34 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 43 E 8.26 4.05 0.00 2.23 2.01 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 2.37 2.64 0.00 44 K 8.57 4.30 0.00 1.87 1.90 0.00 1.81 0.00 0.00 1.87 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.53 7.81 45 S 8.15 4.33 0.00 4.10 4.20 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 46 K 7.79 4.14 0.00 2.12 1.93 0.00 1.71 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.51 1.75 7.81 47 E 8.02 4.36 0.00 2.23 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 2.34 2.60 0.00 48 Q 7.22 4.48 0.00 2.32 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.70 6.98 0.00 0.00 0.00 0.00 0.00 2.29 2.57 0.00 49 L 7.89 4.14 0.00 1.69 1.72 0.93 0.83 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 50 T 7.74 3.96 4.32 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 1.22 0.00 0.00 51 P 0.00 4.36 0.00 2.15 2.10 0.00 3.56 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.14 0.00 52 L 7.25 3.93 0.00 1.94 1.92 0.93 1.05 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 53 I 7.64 3.96 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 1.64 1.12 0.91 0.00 0.00 54 K 8.01 4.20 0.00 1.88 1.83 0.00 1.55 0.00 0.00 1.80 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.48 7.81 55 K 8.08 4.03 0.00 2.06 1.91 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.43 7.81 56 A 7.90 4.14 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 57 G 7.83 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 58 T 7.40 4.47 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 1.22 0.00 0.00 59 E 7.64 3.89 0.00 1.93 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.21 0.00 60 L 7.61 4.05 0.00 1.72 1.77 0.97 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 61 V 7.95 3.58 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 1.00 0.00 0.00 0.93 0.00 0.00 62 N 7.74 4.23 0.00 2.55 2.55 0.00 0.00 7.17 8.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 F 7.47 4.55 0.00 3.31 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 L 8.36 4.54 0.00 1.79 1.85 1.24 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 65 S 8.14 4.36 0.00 4.05 4.04 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 66 Y 7.95 4.70 0.00 3.12 3.07 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 0.00 0.00 0.00 0.00 67 F 8.12 4.31 0.00 3.35 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 68 V 7.72 4.17 2.16 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 1.07 0.00 0.00 1.03 0.00 0.00 69 E 8.05 3.89 0.00 2.10 1.91 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 2.08 2.26 0.00 70 L 7.48 4.64 0.00 1.78 1.71 0.93 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 71 G 7.46 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 0.00 0.00 0.00 0.00 72 T 7.27 4.58 4.22 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 1.20 0.00 0.00 73 Q 8.51 4.47 0.00 2.13 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.38 0.00 0.00 0.00 0.00 0.00 2.16 2.05 0.00 *75 A 8.02 4.41 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 76 T 7.87 3.79 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 77 Q 8.89 4.12 0.00 2.01 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 6.65 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 * Residues marked with a * may have inaccurate shift predictions.