NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 46 V 3.9908 8.0544 120.3964 62.9027 33.7237 176.4191 47 D 4.4801 7.5673 125.8191 52.3286 39.9418 175.1142 48 L 4.1978 9.0774 127.2522 57.3191 43.0761 179.3756 49 Q 4.0078 8.2286 116.8021 58.5082 28.7095 177.2374 50 S 4.3620 7.8271 110.0794 58.7506 63.5743 173.7769 51 L 4.5168 7.6977 122.6399 52.8730 42.4234 175.4252 52 P 4.5346 0.0000 0.0000 62.4503 33.3572 177.8006 53 T 3.8744 8.1415 115.2291 67.0341 68.3700 176.5589 54 R 3.9139 8.0280 119.0501 59.3006 30.2975 178.8432 55 A 3.9934 8.0307 120.0848 55.2546 18.4399 178.7731 56 Y 4.0163 8.5505 118.3562 60.9705 38.8912 178.4867 57 L 3.8184 8.2912 120.0111 57.8980 41.5097 179.2247 58 D 4.3151 8.0824 117.9281 57.2717 40.7699 178.2104 59 Q 4.1276 7.7698 119.4238 58.2628 29.2150 177.3295 60 T 4.1227 7.3380 109.4969 63.3859 69.8905 176.0863 61 V 4.1612 7.5601 113.4563 60.8222 34.3984 178.1812 62 V 3.5168 7.7633 119.0001 65.3650 31.4213 176.0118 63 P 4.2032 0.0000 0.0000 65.7098 31.2232 178.4941 64 I 3.1424 6.8891 116.6945 63.4912 37.5744 177.7101 65 L 3.9343 7.6348 119.4592 57.6388 41.4953 179.0604 66 L 4.0953 7.9156 118.2504 57.7366 41.9397 179.1124 67 Q 4.2890 8.0410 119.1481 58.9811 29.0491 179.5717 68 G 2.7355 8.1651 105.5914 44.5789 0.0000 175.2120 *70 A 4.2279 7.9957 125.4155 51.8343 20.7681 180.2097 71 V 3.5448 7.5994 114.7649 66.0056 31.5682 177.8060 72 L 3.5196 8.1993 120.2788 58.2472 41.6811 178.9112 73 A 4.2497 7.7992 118.3120 54.4518 18.3959 179.0828 74 K 4.0904 7.4066 116.5796 59.1478 32.4286 178.8030 75 E 3.9623 8.2392 118.1408 57.1240 30.7965 177.3071 76 R 3.4764 7.9705 116.5469 56.4759 26.9732 173.5332 77 P 4.5139 0.0000 0.0000 61.2750 32.9727 176.3172 78 P 4.3857 0.0000 0.0000 64.7661 31.4330 176.3583 79 N 4.9091 7.5003 114.1297 50.1284 39.1204 172.5156 80 P 4.2911 0.0000 0.0000 65.0005 31.6543 178.0559 81 I 3.7561 7.7072 118.1993 64.4982 37.1182 178.1278 82 E 3.9966 8.4847 119.4678 59.2787 29.1792 179.1857 83 F 4.0034 8.5947 120.9402 61.2840 39.5048 177.0037 84 L 4.0559 8.4095 119.8012 58.0348 42.0136 178.6716 85 A 3.9978 8.2161 120.8571 55.2444 18.2765 179.5437 86 S 3.9624 8.2132 111.7288 61.5621 62.5055 175.5091 87 Y 3.7214 8.0368 122.5485 60.7042 38.5026 178.2480 88 L 4.0203 8.1226 119.6329 57.9201 41.5399 179.5811 89 L 3.9832 7.4781 117.0409 57.8010 41.6440 179.5625 90 K 4.0825 8.0437 117.3031 58.2076 32.3870 178.0379 91 N 4.8483 7.6641 114.4367 52.4063 39.6495 176.3473 92 K 4.1819 8.0038 120.9816 59.7333 32.6115 178.8921 93 A 4.0433 8.0312 121.8709 55.1619 18.0849 179.2822 94 Q 3.9281 7.9160 115.1905 57.8704 28.6561 177.2672 95 F 4.6186 7.8138 118.0575 56.7036 39.6651 175.2547 96 E 4.0796 7.9885 127.3805 56.8216 30.9444 173.7791 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 46 V 8.05 3.99 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 0.96 0.00 0.00 0.94 0.00 0.00 47 D 7.57 4.48 0.00 2.89 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 L 9.08 4.20 0.00 1.86 1.95 1.01 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 49 Q 8.23 4.01 0.00 2.20 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 7.03 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 50 S 7.83 4.36 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 51 L 7.70 4.52 0.00 1.92 1.82 0.98 0.91 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 52 P 0.00 4.53 0.00 2.18 1.99 0.00 3.66 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.18 0.00 53 T 8.14 3.87 4.27 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 1.26 0.00 0.00 54 R 8.03 3.91 0.00 1.88 1.99 0.00 3.15 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.72 0.00 55 A 8.03 3.99 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 56 Y 8.55 4.02 0.00 3.23 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 57 L 8.29 3.82 0.00 1.87 1.68 0.97 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 58 D 8.08 4.32 0.00 2.86 2.72 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 0.00 0.00 0.00 0.00 59 Q 7.77 4.13 0.00 2.08 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.83 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 60 T 7.34 4.12 3.97 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 0.63 0.00 0.00 61 V 7.56 4.16 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 0.63 0.00 0.00 0.92 0.00 0.00 62 V 7.76 3.52 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 1.13 0.00 0.00 0.99 0.00 0.00 63 P 0.00 4.20 0.00 2.11 2.24 0.00 3.46 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 2.14 2.16 0.00 64 I 6.89 3.14 0.56 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.48 0.69 0.00 0.00 65 L 7.63 3.93 0.00 1.79 1.67 0.88 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 66 L 7.92 4.10 0.00 1.76 1.73 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 67 Q 8.04 4.29 0.00 2.34 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.12 0.00 0.00 0.00 0.00 0.00 2.60 2.53 0.00 68 G 8.17 2.74 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *70 A 8.00 4.23 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 71 V 7.60 3.54 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 1.31 0.00 0.00 0.96 0.00 0.00 72 L 8.20 3.52 0.00 1.86 1.64 0.79 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 73 A 7.80 4.25 1.26 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 74 K 7.41 4.09 0.00 1.82 1.85 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.58 7.81 75 E 8.24 3.96 0.00 1.40 1.68 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 2.39 2.41 0.00 76 R 7.97 3.48 0.00 1.74 1.83 0.00 3.11 0.00 0.00 3.22 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.56 0.00 77 P 0.00 4.51 0.00 2.15 1.85 0.00 3.42 0.00 0.00 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.01 0.00 78 P 0.00 4.39 0.00 2.07 2.16 0.00 3.62 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.06 0.00 79 N 7.50 4.91 0.00 2.67 2.71 0.00 0.00 7.07 7.59 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 80 P 0.00 4.29 0.00 2.20 2.06 0.00 3.66 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.14 0.00 81 I 7.71 3.76 1.90 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 1.66 0.62 0.93 0.00 0.00 82 E 8.48 4.00 0.00 2.27 2.05 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 2.41 2.50 0.00 83 F 8.59 4.00 0.00 3.27 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 84 L 8.41 4.06 0.00 2.01 1.84 0.93 0.85 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 85 A 8.22 4.00 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 86 S 8.21 3.96 0.00 3.88 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 87 Y 8.04 3.72 0.00 2.90 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 88 L 8.12 4.02 0.00 1.90 1.70 0.92 0.54 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 89 L 7.48 3.98 0.00 1.73 1.69 0.90 0.80 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 90 K 8.04 4.08 0.00 1.44 1.68 0.00 1.47 0.00 0.00 1.57 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.48 7.81 91 N 7.66 4.85 0.00 2.45 2.76 0.00 0.00 6.60 6.83 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 92 K 8.00 4.18 0.00 2.03 2.22 0.00 1.32 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.62 1.47 7.81 93 A 8.03 4.04 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 94 Q 7.92 3.93 0.00 1.80 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.36 0.00 0.00 0.00 0.00 0.00 2.27 2.33 0.00 95 F 7.81 4.62 0.00 3.10 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 96 E 7.99 4.08 0.00 2.12 1.92 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 2.23 2.24 0.00 * Residues marked with a * may have inaccurate shift predictions.