NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.9283 8.3549 109.7365 45.3326 0.0000 174.6452 3 K 3.9141 7.8411 118.9083 54.7527 32.8945 170.9709 4 V 4.4992 8.7086 122.9318 61.3375 35.5259 173.5102 5 Y 5.0770 8.8336 124.0222 56.1102 41.1073 174.6723 6 K 4.5436 8.4209 122.1258 54.4645 35.6698 174.7469 7 K 4.9217 8.4933 124.3885 54.5406 34.6937 175.5618 8 V 4.4966 8.8114 124.4204 61.0112 34.8006 173.6121 9 E 5.0832 8.7800 127.6210 54.7441 30.8862 174.7670 10 L 4.9003 9.2930 126.5703 52.8232 46.1284 175.8859 11 V 4.7249 8.3319 120.3564 61.2328 33.4710 174.9780 12 G 4.1427 8.7516 116.6261 45.6212 0.0000 171.8265 13 T 5.3936 8.0464 112.7417 60.1093 72.1910 172.9677 14 S 4.6556 8.5879 114.7183 58.0026 66.0098 175.7948 15 E 4.5849 9.1092 124.2331 57.8137 30.0684 177.8221 16 E 4.2291 8.5430 118.9723 57.0349 30.4283 176.4886 17 G 3.2554 7.0227 103.7125 44.5679 0.0000 172.9346 18 L 3.8253 7.4200 118.0517 57.7376 41.5682 179.1757 19 E 3.8890 8.0016 117.7887 59.4498 29.3826 179.1810 20 A 3.9476 7.8886 119.9834 54.9181 18.4238 179.3139 21 A 3.9051 7.8409 118.9651 55.3370 18.4893 179.9136 22 I 3.4618 7.6857 118.1621 64.6959 37.1869 178.7240 23 Q 3.8966 8.3394 118.9623 58.7544 28.4497 178.7853 24 A 3.9392 8.2633 121.8603 55.0125 18.3452 179.4872 25 A 3.8606 7.6939 118.8179 55.4254 18.4722 179.9537 26 L 3.8327 7.9280 117.2367 57.6016 41.4028 179.5497 27 A 3.9186 8.1470 120.4000 55.2668 18.4853 179.4066 28 R 3.9133 7.9714 116.9909 59.2995 30.1413 178.4414 29 A 3.9341 8.1779 121.1495 55.0736 18.2236 179.3772 30 R 4.2793 7.6951 111.8917 57.9783 29.8120 178.5812 31 K 4.0985 7.6345 119.5365 58.9926 32.0912 177.6168 32 T 4.3567 7.6857 113.5606 63.7646 70.7208 174.3394 33 L 4.3543 7.9762 120.1556 52.9620 43.2581 175.9832 34 R 4.5102 7.7911 119.8278 55.5981 33.3132 174.9053 35 H 4.1628 8.4912 113.5385 56.9264 25.9002 175.4062 36 L 4.5418 8.0884 118.7587 55.3720 42.3052 175.8846 37 D 5.2115 9.2849 122.6793 55.2360 43.0348 176.2489 38 W 5.5192 7.8657 113.3098 55.0442 32.0374 172.9517 39 F 5.3803 8.3437 114.1177 55.2572 41.1143 173.9019 40 E 4.7135 9.2729 118.7955 54.6328 33.2665 175.0762 41 V 4.2523 8.7766 125.4617 63.0041 31.5828 175.5944 42 K 4.4467 9.0422 127.9647 58.1050 33.5003 176.6852 43 E 4.7779 7.7571 117.8421 55.1538 33.1125 174.1447 44 I 5.0562 8.4556 126.2656 59.7337 40.1858 174.6836 45 R 4.6411 9.0816 123.6939 55.8733 33.4260 173.5392 46 G 4.1459 8.1142 105.1028 46.7055 0.0000 172.6636 47 T 4.7297 7.9984 110.0971 60.1335 71.5195 173.6863 48 I 4.7258 8.2462 122.9314 59.7955 39.8548 175.3406 49 G 4.3411 9.0561 116.2068 43.7213 0.0000 172.7382 50 E 3.8742 8.8917 118.4471 58.3988 29.7395 177.9861 51 A 4.7100 8.0688 120.2616 51.6812 20.6102 176.8229 52 G 3.9553 7.5743 107.6721 45.4465 0.0000 176.3544 53 V 3.6547 8.1817 125.4320 63.2661 31.5846 175.1595 54 K 4.1626 8.6281 129.5777 58.4582 32.7138 176.2989 55 E 4.7461 7.7160 118.9892 54.5518 33.1609 173.3820 56 Y 4.7206 9.2492 125.3853 57.6641 39.8561 174.5303 57 Q 4.9253 9.6462 122.7105 54.2151 32.4879 174.5427 58 V 4.7090 8.8414 125.6346 60.9833 33.7020 174.6653 59 V 4.3921 8.6645 129.7713 62.4721 32.7992 174.6258 60 L 5.2202 9.2610 129.5388 53.5500 45.9062 174.4330 61 E 4.9579 9.4122 125.9550 55.0852 31.6837 175.0532 62 V 4.4691 8.9712 124.6974 60.9979 34.1884 174.2157 63 G 2.9161 8.0254 116.0605 43.9443 0.0000 172.3083 64 F 5.6602 8.4494 118.6471 54.9719 41.9252 173.6635 65 R 4.1047 8.8876 121.9326 56.2998 30.4345 176.0509 66 L 4.4818 8.3620 126.8111 54.3665 42.6101 176.8158 67 E 4.2830 8.8617 122.1234 55.5831 31.0305 175.5353 68 E 3.5808 8.5510 117.9893 58.2670 28.6432 175.8138 *69 T 4.1354 7.7523 114.2362 62.1351 69.2274 175.7240 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 3.93 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 0.00 0.00 0.00 3 K 7.84 3.91 0.00 1.83 1.43 0.00 1.67 0.00 0.00 1.67 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.35 1.46 7.81 4 V 8.71 4.50 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 1.09 0.00 0.00 0.91 0.00 0.00 5 Y 8.83 5.08 0.00 3.00 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 6 K 8.42 4.54 0.00 1.45 0.74 0.00 1.57 0.00 0.00 1.77 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.15 1.27 7.81 7 K 8.49 4.92 0.00 1.64 1.65 0.00 2.06 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.13 1.39 7.81 8 V 8.81 4.50 2.26 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 0.93 0.00 0.00 1.11 0.00 0.00 9 E 8.78 5.08 0.00 2.02 1.84 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 2.22 2.44 0.00 10 L 9.29 4.90 0.00 1.52 1.47 0.87 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.33 4.72 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 0.80 0.00 0.00 0.93 0.00 0.00 12 G 8.75 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 0.00 0.00 0.00 0.00 13 T 8.05 5.39 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 14 S 8.59 4.66 0.00 3.90 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 15 E 9.11 4.58 0.00 2.03 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 2.45 2.34 0.00 16 E 8.54 4.23 0.00 1.95 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 2.33 2.27 0.00 17 G 7.02 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 0.00 0.00 0.00 18 L 7.42 3.83 0.00 1.56 1.64 0.87 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.00 3.89 0.00 1.99 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 2.38 2.42 0.00 20 A 7.89 3.95 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 21 A 7.84 3.91 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.69 3.46 1.84 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.88 0.24 0.00 0.00 23 Q 8.34 3.90 0.00 2.11 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.42 2.47 0.00 24 A 8.26 3.94 1.35 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 0.00 0.00 25 A 7.69 3.86 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 26 L 7.93 3.83 0.00 1.61 1.66 0.72 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 27 A 8.15 3.92 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 28 R 7.97 3.91 0.00 1.92 2.02 0.00 3.12 0.00 0.00 3.14 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 29 A 8.18 3.93 1.31 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 0.00 0.00 0.00 30 R 7.70 4.28 0.00 1.95 2.02 0.00 3.05 0.00 0.00 3.20 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.62 0.00 31 K 7.63 4.10 0.00 1.81 1.87 0.00 1.62 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.44 1.64 7.81 32 T 7.69 4.36 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 1.11 0.00 0.00 33 L 7.98 4.35 0.00 1.26 0.70 0.51 0.47 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 34 R 7.79 4.51 0.00 1.67 1.53 0.00 3.25 0.00 0.00 3.17 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.51 0.00 35 H 8.49 4.16 0.00 3.66 3.49 0.00 5.62 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 L 8.09 4.54 0.00 1.67 1.67 0.88 0.93 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 37 D 9.28 5.21 0.00 3.15 3.09 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 38 W 7.87 5.52 0.00 3.24 3.18 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 39 F 8.34 5.38 0.00 3.03 2.94 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 40 E 9.27 4.71 0.00 1.99 1.94 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 2.41 2.56 0.00 41 V 8.78 4.25 2.19 0.00 0.00 0.00 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 1.13 0.00 0.00 42 K 9.04 4.45 0.00 1.68 1.87 0.00 1.85 0.00 0.00 1.67 0.00 0.00 2.92 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.62 1.55 7.81 43 E 7.76 4.78 0.00 2.02 1.75 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 2.29 2.33 0.00 44 I 8.46 5.06 1.92 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 1.44 0.83 0.99 0.00 0.00 45 R 9.08 4.64 0.00 1.78 2.02 0.00 3.01 0.00 0.00 3.18 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 46 G 8.11 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 0.00 0.00 0.00 47 T 8.00 4.73 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 1.23 0.00 0.00 48 I 8.25 4.73 1.84 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.62 0.91 0.00 0.00 49 G 9.06 4.34 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 0.00 0.00 0.00 50 E 8.89 3.87 0.00 1.91 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 2.28 2.36 0.00 51 A 8.07 4.71 1.25 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 0.00 0.00 0.00 52 G 7.57 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 0.00 0.00 0.00 53 V 8.18 3.65 1.78 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 -0.32 0.00 0.00 0.65 0.00 0.00 54 K 8.63 4.16 0.00 1.84 1.85 0.00 1.76 0.00 0.00 1.60 0.00 0.00 2.85 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.38 1.35 7.81 55 E 7.72 4.75 0.00 2.03 1.67 0.00 0.00 0.00 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 2.27 0.00 56 Y 9.25 4.72 0.00 3.09 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 57 Q 9.65 4.93 0.00 2.04 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.75 0.00 0.00 0.00 0.00 0.00 2.27 2.27 0.00 58 V 8.84 4.71 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 0.94 0.00 0.00 0.99 0.00 0.00 59 V 8.66 4.39 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 1.00 0.00 0.00 60 L 9.26 5.22 0.00 1.68 1.40 1.13 0.59 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 61 E 9.41 4.96 0.00 1.96 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 2.28 2.27 0.00 62 V 8.97 4.47 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 1.00 0.00 0.00 0.90 0.00 0.00 63 G 8.03 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 0.00 0.00 0.00 64 F 8.45 5.66 0.00 3.38 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 65 R 8.89 4.10 0.00 1.91 1.90 0.00 3.03 0.00 0.00 3.13 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.06 0.00 66 L 8.36 4.48 0.00 1.61 1.55 0.87 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 67 E 8.86 4.28 0.00 1.99 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 2.34 2.39 0.00 68 E 8.55 3.58 0.00 2.14 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 2.21 2.28 0.00 *69 T 7.75 4.14 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 * Residues marked with a * may have inaccurate shift predictions.