NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4361 8.1633 120.3473 55.8045 34.6720 177.6587 2 T 3.6974 7.9176 115.6162 66.2118 68.5246 174.9677 3 Q 3.9913 8.2003 119.6712 58.7890 29.1613 178.2187 4 L 3.9158 7.8128 120.7452 58.2655 42.1665 178.6887 5 E 3.8108 8.2299 118.5201 59.2988 29.2766 179.0127 6 E 3.8771 8.2138 119.3167 59.2259 29.6285 178.6288 7 Q 3.9114 8.0763 119.6070 59.0474 29.0455 177.9435 8 L 3.9153 7.9850 121.3708 58.6111 42.1421 178.7374 9 H 4.6580 8.2096 117.6183 58.4045 28.6126 177.4896 10 N 4.3366 8.5040 118.6938 56.4466 38.3391 177.6152 11 V 3.6339 8.1299 119.8132 65.9496 31.4559 177.8495 12 E 3.9734 8.5385 118.7160 59.7727 29.2136 179.5104 13 T 3.8876 8.0082 115.7509 66.4287 68.4000 176.8067 14 V 3.5601 7.8142 120.1973 66.0325 31.5809 177.8439 15 R 4.5433 8.0821 119.7622 58.9595 29.8670 178.2755 16 S 4.0928 8.1856 112.6527 61.5641 62.3705 176.2361 17 I 3.7416 8.0202 122.8929 64.5903 36.8698 178.5900 18 T 3.9057 8.2825 111.0525 64.8813 68.5220 176.1343 19 M 4.0351 8.2211 121.0301 58.6389 32.2394 178.2819 20 Q 3.9982 8.1156 118.1207 58.7758 28.8399 178.3501 21 L 3.9669 8.2984 121.7646 58.3341 42.1149 178.9124 22 E 4.0176 8.3224 118.3559 59.7268 29.2878 179.2533 23 M 4.0690 8.1641 118.4740 58.4429 32.0519 178.7490 24 A 4.0560 8.2412 120.9055 55.0465 18.4691 179.7067 25 L 4.0871 8.4617 118.1037 58.2448 41.7688 179.7046 26 T 3.9290 8.1512 115.7696 66.6525 68.2339 176.8177 27 K 3.9757 7.9323 120.1371 59.3297 32.1041 179.1709 28 L 3.8506 8.0159 120.6530 57.8945 41.9219 178.9112 29 K 3.1672 8.2138 119.6914 59.0872 31.9058 178.6944 30 K 3.8582 7.6471 119.6363 60.4245 32.2932 179.2776 31 D 4.4228 7.6811 120.8995 58.6840 39.7448 180.3138 32 M 4.1208 7.5858 119.6857 58.0267 31.4507 177.8469 33 M 4.3139 7.1104 116.1721 55.3707 31.7598 175.7065 34 R 4.6849 7.9461 120.3323 57.6626 37.5158 177.1067 35 G 3.7914 8.6993 105.9430 46.8496 0.0000 174.2302 36 G 3.9903 5.9913 109.9035 45.9995 0.0000 170.5049 37 D 4.5286 7.5434 125.0067 50.2719 42.5699 174.7151 38 A 4.0939 8.9166 125.5265 54.4973 17.3838 178.2826 39 K 3.9365 8.8660 115.9627 61.0535 31.6178 175.2732 40 Q 4.5160 8.2024 120.9659 59.1660 28.6648 178.8270 *41 Y 4.2297 7.6884 121.2055 62.0821 36.9925 181.8898 42 Q 4.1814 7.9595 120.3433 58.7583 28.8756 178.7365 43 V 3.6095 8.4641 119.6635 65.9089 31.4371 177.9670 44 W 4.1195 8.7448 128.2474 60.5757 30.7485 177.9822 45 Q 3.1284 8.8256 118.4935 58.6389 28.0481 179.2067 46 R 3.7825 7.8494 118.9512 59.2830 30.0698 179.0205 47 E 3.8305 7.8067 118.1446 59.2948 29.4355 179.3288 48 S 3.8274 7.8005 113.4161 61.1671 62.3329 176.0093 49 K 3.7543 7.4510 121.6205 59.5276 31.7758 178.5799 50 A 3.9653 7.8537 120.9727 54.9467 18.1837 179.6898 51 L 3.9071 8.0323 117.9203 58.0470 41.7290 179.5929 52 E 3.9700 8.5551 118.9834 59.4489 29.3593 179.6139 53 S 4.1357 8.2599 115.1504 61.3850 62.8476 176.5507 54 A 4.0158 8.2666 123.9684 55.1531 18.0520 179.7502 55 I 3.6066 8.0574 118.3473 64.3750 37.1338 178.5137 56 A 4.0722 8.0100 121.7504 55.1385 18.0873 179.8024 57 I 3.7295 7.8483 118.4120 64.5011 37.1258 178.5448 58 I 3.7117 7.8418 120.6601 64.9072 36.8798 178.1368 59 H 5.0070 8.2855 118.2505 58.6393 28.2873 177.2814 60 Y 3.9437 7.9652 120.4605 60.4321 38.6867 177.9660 61 V 3.7655 8.0937 118.3071 66.0655 31.9529 177.8072 62 A 4.1668 8.3969 119.4940 52.5629 18.3847 177.4730 63 G 3.8868 8.1667 105.2563 46.6143 0.0000 174.8178 64 D 4.3439 8.0835 120.4731 53.7367 40.1867 176.2131 65 L 3.9387 7.8637 123.9546 55.0965 41.2582 173.9821 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 1 M 8.16 4.44 0.00 2.10 2.12 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.63 0.00 2 T 7.92 3.70 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 3 Q 8.20 3.99 0.00 2.12 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.91 0.00 0.00 0.00 0.00 0.00 2.44 2.47 0.00 4 L 7.81 3.92 0.00 1.73 1.79 0.90 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 5 E 8.23 3.81 0.00 2.01 1.88 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 2.28 2.44 0.00 6 E 8.21 3.88 0.00 2.04 2.20 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 2.30 2.32 0.00 7 Q 8.08 3.91 0.00 2.16 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.58 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 8 L 7.99 3.92 0.00 1.75 1.69 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 9 H 8.21 4.66 0.00 3.34 3.32 0.00 5.71 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 N 8.50 4.34 0.00 2.87 2.88 0.00 0.00 6.65 8.20 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 11 V 8.13 3.63 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 1.11 0.00 0.00 0.94 0.00 0.00 12 E 8.54 3.97 0.00 2.27 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 2.48 0.00 13 T 8.01 3.89 4.40 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 1.22 0.00 0.00 14 V 7.81 3.56 2.25 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 1.10 0.00 0.00 0.98 0.00 0.00 15 R 8.08 4.54 0.00 1.93 2.13 0.00 3.20 0.00 0.00 3.40 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.52 0.00 16 S 8.19 4.09 0.00 3.94 4.03 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 17 I 8.02 3.74 1.88 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 1.59 0.65 0.92 0.00 0.00 18 T 8.28 3.91 4.23 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 1.23 0.00 0.00 19 M 8.22 4.04 0.00 2.28 2.21 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.60 0.00 20 Q 8.12 4.00 0.00 2.35 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.56 0.00 0.00 0.00 0.00 0.00 2.39 2.59 0.00 21 L 8.30 3.97 0.00 1.84 1.86 0.95 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 22 E 8.32 4.02 0.00 2.21 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.55 0.00 23 M 8.16 4.07 0.00 2.06 2.27 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.89 0.00 24 A 8.24 4.06 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 25 L 8.46 4.09 0.00 1.90 1.86 1.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 26 T 8.15 3.93 4.45 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 1.23 0.00 0.00 27 K 7.93 3.98 0.00 1.91 1.83 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.58 7.81 28 L 8.02 3.85 0.00 1.86 1.86 0.79 0.27 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 29 K 8.21 3.17 0.00 2.16 1.98 0.00 1.82 0.00 0.00 1.66 0.00 0.00 3.03 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.32 2.15 7.81 30 K 7.65 3.86 0.00 1.87 1.81 0.00 1.73 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.57 7.81 31 D 7.68 4.42 0.00 2.64 2.68 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 0.00 0.00 0.00 32 M 7.59 4.12 0.00 1.46 1.11 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 1.00 2.00 0.00 33 M 7.11 4.31 0.00 1.94 2.13 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.67 0.00 34 R 7.95 4.68 0.00 1.78 2.00 0.00 3.07 0.00 0.00 3.13 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.54 0.00 35 G 8.70 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 0.00 0.00 0.00 36 G 5.99 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 0.00 0.00 0.00 37 D 7.54 4.53 0.00 2.55 1.85 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 38 A 8.92 4.09 1.34 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 39 K 8.87 3.94 0.00 1.77 1.87 0.00 1.79 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.46 1.14 7.81 40 Q 8.20 4.52 0.00 2.09 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.84 6.90 0.00 0.00 0.00 0.00 0.00 2.47 2.38 0.00 *41 Y 7.69 4.23 0.00 2.36 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 0.00 0.00 0.00 0.00 42 Q 7.96 4.18 0.00 2.05 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.73 0.00 0.00 0.00 0.00 0.00 2.42 2.53 0.00 43 V 8.46 3.61 2.32 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 1.04 0.00 0.00 1.00 0.00 0.00 44 W 8.74 4.12 0.00 3.46 3.46 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 0.00 0.00 0.00 0.00 45 Q 8.83 3.13 0.00 2.18 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.58 0.00 0.00 0.00 0.00 0.00 2.52 2.80 0.00 46 R 7.85 3.78 0.00 1.99 1.90 0.00 3.10 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.76 0.00 47 E 7.81 3.83 0.00 2.05 1.93 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 2.30 2.54 0.00 48 S 7.80 3.83 0.00 3.22 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 49 K 7.45 3.75 0.00 1.78 1.86 0.00 1.50 0.00 0.00 1.57 0.00 0.00 3.00 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.35 1.43 7.81 50 A 7.85 3.97 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 51 L 8.03 3.91 0.00 1.86 1.72 0.98 1.17 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 52 E 8.56 3.97 0.00 1.90 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 2.50 2.46 0.00 53 S 8.26 4.14 0.00 3.99 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 A 8.27 4.02 1.33 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 0.00 0.00 0.00 55 I 8.06 3.61 1.99 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 1.43 0.69 0.89 0.00 0.00 56 A 8.01 4.07 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 57 I 7.85 3.73 2.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.94 0.93 0.00 0.00 58 I 7.84 3.71 1.98 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 1.52 0.76 0.89 0.00 0.00 59 H 8.29 5.01 0.00 3.42 3.35 0.00 5.63 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 Y 7.97 3.94 0.00 3.07 3.16 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 61 V 8.09 3.77 2.14 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 0.90 0.00 0.00 1.14 0.00 0.00 62 A 8.40 4.17 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.17 3.89 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 0.00 0.00 0.00 64 D 8.08 4.34 0.00 2.86 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 65 L 7.86 3.94 0.00 1.82 1.73 0.89 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.