NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 50 L 4.2655 8.1849 120.6192 53.9030 43.3349 176.9262 51 L 3.8164 8.1662 121.2430 54.4654 43.2604 176.8228 52 A 3.8576 9.3747 126.1753 55.7086 18.5375 179.7286 53 D 4.1747 7.9135 116.4134 57.0277 40.8147 178.6028 54 L 3.9574 7.5990 120.7862 57.9305 42.1612 178.4312 55 Q 3.7718 8.0133 119.5672 59.3337 28.6944 177.8930 56 H 4.1705 8.1287 116.9947 58.8406 28.9727 177.4209 57 S 4.2098 7.6616 114.7920 61.4081 62.2686 176.1998 58 I 2.0000 7.4150 122.5184 63.6745 36.4757 177.7343 59 N 4.4701 7.9999 115.4281 54.6892 38.5940 176.2374 60 K 4.4513 7.8323 119.3547 56.1538 33.0576 177.9390 61 W 4.7006 7.9035 120.4566 60.0387 29.0287 177.8578 62 S 4.6970 8.2688 113.6763 61.2138 61.5865 176.6631 63 V 3.7864 7.7397 112.6580 64.0777 31.5373 178.2236 64 I 3.7209 7.9172 119.2365 63.6754 37.0098 176.5032 65 Y 4.4962 7.8429 113.6484 56.7510 39.2524 174.8218 66 N 4.2812 8.2741 117.5091 54.7095 37.2344 173.1735 67 I 4.6907 7.9172 112.2808 58.3424 41.3338 175.6700 68 N 5.0402 8.4596 120.4829 52.2899 39.6597 176.2001 69 S 4.2207 8.5827 115.2453 61.8559 62.8022 176.7389 70 T 3.8916 7.9835 118.9555 66.4734 68.0673 176.5409 71 I 3.6866 7.9244 120.5114 64.3596 37.2548 178.2487 72 V 4.0562 7.5575 117.5477 66.2526 31.6485 177.6412 73 R 4.1585 8.2779 118.6578 59.2601 29.8771 178.9539 74 S 4.4811 7.9431 111.5256 58.9077 62.6221 175.8602 *76 K 4.4218 7.9574 124.7096 57.4386 33.7985 176.6186 77 D 4.5404 8.3488 118.5810 57.4601 41.0438 178.8481 78 L 4.3990 8.0469 117.0425 55.4202 41.1951 178.9572 *80 Q 4.2489 8.3102 120.1443 56.0035 30.5907 177.9554 81 G 3.6627 8.2370 103.5167 47.8611 0.0000 175.5182 82 I 3.9654 7.9550 122.0890 64.2548 37.0589 178.5853 83 L 3.5106 7.7968 119.3152 57.4811 41.2804 179.0460 84 Q 4.1664 7.9285 116.6255 57.7821 28.7475 177.8036 85 K 4.2906 7.7584 118.4396 56.6321 32.7316 177.2818 86 F 4.3246 7.7817 119.2311 56.6247 39.4663 173.5230 87 P 4.4668 0.0000 0.0000 63.1118 31.2040 176.1133 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 50 L 8.18 4.27 0.00 1.58 1.61 0.89 0.63 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 51 L 8.17 3.82 0.00 1.72 1.55 0.90 0.44 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 52 A 9.37 3.86 1.20 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 0.00 0.00 53 D 7.91 4.17 0.00 2.74 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.60 3.96 0.00 1.72 1.77 0.95 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 55 Q 8.01 3.77 0.00 2.11 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.57 0.00 0.00 0.00 0.00 0.00 2.28 2.36 0.00 56 H 8.13 4.17 0.00 3.27 3.29 0.00 5.73 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 S 7.66 4.21 0.00 3.88 3.95 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 0.00 0.00 0.00 58 I 7.42 2.00 1.50 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.28 0.03 0.15 0.00 0.00 59 N 8.00 4.47 0.00 2.77 2.82 0.00 0.00 6.95 8.34 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 60 K 7.83 4.45 0.00 1.94 1.85 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.54 1.59 7.81 61 W 7.90 4.70 0.00 3.53 3.36 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 62 S 8.27 4.70 0.00 3.97 3.94 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 63 V 7.74 3.79 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 0.85 0.00 0.00 0.98 0.00 0.00 64 I 7.92 3.72 1.60 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.55 -0.11 0.00 0.00 65 Y 7.84 4.50 0.00 3.07 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 66 N 8.27 4.28 0.00 2.83 2.86 0.00 0.00 6.83 7.94 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 67 I 7.92 4.69 1.93 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.78 0.94 0.00 0.00 68 N 8.46 5.04 0.00 3.04 3.03 0.00 0.00 5.85 7.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 S 8.58 4.22 0.00 4.09 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 70 T 7.98 3.89 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 71 I 7.92 3.69 2.07 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 1.41 0.66 0.91 0.00 0.00 72 V 7.56 4.06 2.33 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 0.96 0.00 0.00 1.20 0.00 0.00 73 R 8.28 4.16 0.00 2.00 2.14 0.00 3.16 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.66 0.00 74 S 7.94 4.48 0.00 4.13 4.09 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 *76 K 7.96 4.42 0.00 1.75 2.20 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.43 7.81 77 D 8.35 4.54 0.00 2.92 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 78 L 8.05 4.40 0.00 1.75 1.69 0.96 0.74 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 *80 Q 8.31 4.25 0.00 2.29 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.90 0.00 0.00 0.00 0.00 0.00 2.32 2.51 0.00 81 G 8.24 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 I 7.96 3.97 1.91 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 1.57 1.29 1.03 0.00 0.00 83 L 7.80 3.51 0.00 1.70 1.40 0.83 0.53 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 84 Q 7.93 4.17 0.00 2.19 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.95 0.00 0.00 0.00 0.00 0.00 2.38 2.56 0.00 85 K 7.76 4.29 0.00 1.96 1.94 0.00 1.78 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.51 1.79 7.81 86 F 7.78 4.32 0.00 2.94 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 87 P 0.00 4.47 0.00 2.18 2.04 0.00 3.72 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.91 0.00 * Residues marked with a * may have inaccurate shift predictions.