NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 25 N 4.6633 8.2827 118.1250 52.5148 39.9364 173.3255 26 L 3.8542 8.5119 125.2433 56.4415 42.3851 175.3975 27 L 4.2372 8.9727 123.5964 55.9726 40.2049 175.3614 28 E 3.8989 8.3765 121.0764 59.5663 29.6644 178.7573 29 E 4.0128 8.0970 118.0707 59.1856 29.4980 179.0447 30 E 4.1211 7.9805 119.6756 58.9209 29.5513 178.9597 31 S 4.0858 8.3178 115.3320 61.8963 62.9343 176.9360 32 A 3.9697 7.7075 122.6901 55.0784 18.1039 179.8815 33 V 3.5180 7.7012 116.5431 65.9481 31.5958 178.0677 34 L 4.0162 8.2316 120.4358 58.1257 41.9615 179.1313 35 G 3.6144 8.3931 106.0976 47.8626 0.0000 175.4111 36 Q 3.9600 8.3282 121.7378 58.8348 29.0454 178.1830 37 A 3.9764 8.0338 121.9347 54.9964 18.1734 179.8380 38 V 3.5132 7.5639 115.9950 66.3946 31.7777 177.9748 39 T 3.9991 7.7667 108.1205 64.9907 68.8440 175.6179 40 N 4.5291 8.5131 119.5644 55.8652 38.4420 178.1572 41 L 4.0575 7.8796 117.8568 55.3076 41.3677 179.0654 *43 L 4.2144 7.9001 121.1564 54.8253 43.3771 178.0359 44 S 4.3541 8.0583 109.9595 57.8507 63.2414 174.2492 45 G 3.8858 7.9088 108.2697 46.9573 0.0000 173.6149 46 D 4.7969 7.9913 118.8060 52.2309 42.3958 176.4594 47 N 4.3479 8.4048 118.4836 53.4592 38.9885 175.8898 48 V 3.9913 8.1778 122.9055 61.8403 30.8072 174.7605 49 N 5.1277 8.0501 124.2065 50.1076 41.9221 174.6419 50 N 4.3490 8.6687 116.9284 56.2952 38.5331 177.3158 51 K 3.8908 8.0589 120.3840 59.9050 32.3498 178.4429 52 N 4.3822 8.6620 116.5900 56.1218 38.3073 177.6290 53 I 3.7179 7.8298 121.3880 64.3568 37.1935 178.3632 54 I 3.7009 7.8541 120.5644 64.5934 36.9157 178.4887 55 L 4.0501 8.0765 119.6881 57.8494 41.3406 179.6459 56 S 4.1124 8.2533 113.1336 61.2846 62.3135 176.2579 57 L 3.9956 8.2224 121.9640 57.8296 41.3056 179.5126 58 I 3.6949 8.1996 120.2372 64.5671 36.8065 177.8581 59 H 4.1237 8.2952 118.2664 59.4577 30.0109 177.1265 60 S 4.1840 8.2750 116.9458 61.5010 62.2089 176.4115 61 L 3.9585 8.5359 123.3044 58.2836 41.6321 178.8367 62 E 4.1815 8.3732 117.4522 58.2337 29.4337 178.2106 63 T 4.4605 7.2187 107.3842 60.5822 69.4719 173.8026 64 T 4.5395 7.0569 117.4909 62.4492 70.1418 174.6010 65 S 4.4744 8.5158 120.8798 58.7345 64.3288 174.1630 66 D 4.5770 7.8145 121.1247 53.2815 41.7113 176.5052 67 I 4.0671 8.3146 122.1297 63.6803 37.3522 178.1390 68 L 4.0016 7.9525 120.8516 57.6489 41.6330 179.2422 69 K 4.0379 8.6195 118.3949 59.2128 31.9463 179.0579 70 A 3.9683 8.5033 121.5229 55.3589 18.2639 179.0390 71 D 4.2577 8.0920 116.2996 57.6091 41.2849 178.7813 72 V 3.6023 7.4478 117.3045 66.0832 31.5220 178.1001 73 I 3.7295 7.7368 119.5592 64.2689 36.8768 178.3496 74 R 3.9110 8.1756 119.6631 59.4676 29.9362 178.7826 75 K 3.9996 8.1907 118.2459 59.6683 31.8630 179.5655 76 T 3.8836 8.0090 116.1368 66.3916 68.2988 176.4738 77 L 3.9476 8.3585 122.7119 58.1187 42.0503 178.5657 78 E 3.9350 8.3463 119.2683 59.4518 29.4934 178.8547 79 I 3.7152 7.8391 119.7463 64.3776 37.1739 178.6485 80 V 3.6693 7.9201 119.0460 65.9462 31.3117 177.9737 81 L 4.0357 8.3155 119.1498 58.0314 41.4605 179.8752 82 R 3.9435 8.3361 118.1301 59.2707 29.8004 178.3753 83 Y 4.0607 8.1894 118.6998 60.9561 38.8422 178.1043 84 T 3.7792 8.3216 115.4631 66.5758 68.7083 176.0474 85 A 4.0906 7.9878 121.4495 55.2518 18.5106 177.6279 86 D 4.5259 7.9730 120.4117 54.6435 41.1628 176.3489 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 25 N 8.28 4.66 0.00 2.96 2.82 0.00 0.00 6.62 5.85 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 26 L 8.51 3.85 0.00 1.66 1.60 0.92 0.77 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 27 L 8.97 4.24 0.00 1.93 1.81 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 28 E 8.38 3.90 0.00 2.15 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 2.34 0.00 29 E 8.10 4.01 0.00 2.05 1.97 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 2.39 2.39 0.00 30 E 7.98 4.12 0.00 2.22 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 2.40 2.32 0.00 31 S 8.32 4.09 0.00 4.11 3.92 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 32 A 7.71 3.97 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 33 V 7.70 3.52 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 0.98 0.00 0.00 0.95 0.00 0.00 34 L 8.23 4.02 0.00 1.84 1.79 0.89 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 35 G 8.39 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.33 3.96 0.00 2.27 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 37 A 8.03 3.98 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 38 V 7.56 3.51 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 0.87 0.00 0.00 0.91 0.00 0.00 39 T 7.77 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 1.30 0.00 0.00 40 N 8.51 4.53 0.00 2.97 2.91 0.00 0.00 7.03 6.91 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 41 L 7.88 4.06 0.00 1.86 1.68 0.92 0.49 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 *43 L 7.90 4.21 0.00 1.88 1.77 0.98 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 44 S 8.06 4.35 0.00 4.01 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 45 G 7.91 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 46 D 7.99 4.80 0.00 2.66 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 47 N 8.40 4.35 0.00 2.72 2.76 0.00 0.00 6.84 7.68 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 48 V 8.18 3.99 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 0.82 0.00 0.00 0.93 0.00 0.00 49 N 8.05 5.13 0.00 2.99 2.88 0.00 0.00 6.16 6.96 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 50 N 8.67 4.35 0.00 2.79 2.97 0.00 0.00 6.43 7.65 0.00 0.00 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 K 8.06 3.89 0.00 1.83 1.96 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.52 1.55 7.81 52 N 8.66 4.38 0.00 2.87 2.85 0.00 0.00 7.12 6.98 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 53 I 7.83 3.72 2.02 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 1.52 0.75 0.92 0.00 0.00 54 I 7.85 3.70 2.03 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 1.55 0.72 0.93 0.00 0.00 55 L 8.08 4.05 0.00 1.82 1.73 0.92 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 56 S 8.25 4.11 0.00 3.97 4.02 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 0.00 0.00 0.00 57 L 8.22 4.00 0.00 1.88 1.70 0.93 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 58 I 8.20 3.69 1.89 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 1.42 0.73 0.93 0.00 0.00 59 H 8.30 4.12 0.00 3.15 3.55 0.00 5.96 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 S 8.28 4.18 0.00 4.06 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 61 L 8.54 3.96 0.00 1.80 1.84 0.92 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 62 E 8.37 4.18 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 2.58 2.46 0.00 63 T 7.22 4.46 4.18 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 1.09 0.00 0.00 64 T 7.06 4.54 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 1.26 0.00 0.00 65 S 8.52 4.47 0.00 3.84 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 66 D 7.81 4.58 0.00 2.70 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.31 4.07 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 1.64 0.51 0.91 0.00 0.00 68 L 7.95 4.00 0.00 1.84 1.75 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 69 K 8.62 4.04 0.00 1.92 1.85 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.45 7.81 70 A 8.50 3.97 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 71 D 8.09 4.26 0.00 2.90 2.87 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 72 V 7.45 3.60 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 0.97 0.00 0.00 0.99 0.00 0.00 73 I 7.74 3.73 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.53 0.96 0.00 0.00 74 R 8.18 3.91 0.00 2.07 2.04 0.00 3.10 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 75 K 8.19 4.00 0.00 2.04 1.84 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.60 1.62 7.81 76 T 8.01 3.88 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 77 L 8.36 3.95 0.00 1.83 1.85 0.94 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 78 E 8.35 3.94 0.00 2.08 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 0.00 2.32 2.37 0.00 79 I 7.84 3.72 2.00 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 1.42 0.63 0.92 0.00 0.00 80 V 7.92 3.67 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 1.01 0.00 0.00 0.94 0.00 0.00 81 L 8.32 4.04 0.00 1.89 1.73 0.93 0.83 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 82 R 8.34 3.94 0.00 1.89 2.00 0.00 3.15 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.84 0.00 83 Y 8.19 4.06 0.00 2.93 3.23 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 84 T 8.32 3.78 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 1.20 0.00 0.00 85 A 7.99 4.09 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 86 D 7.97 4.53 0.00 2.70 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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.