NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 30 D 4.5734 8.2233 120.1892 53.9922 41.8663 175.9311 31 L 3.9643 8.5597 126.5989 55.8718 41.8778 176.2455 32 R 4.2847 7.9249 116.4172 56.2151 31.7512 175.7851 33 D 4.3354 7.5761 118.2755 53.9674 40.0213 174.3714 34 Y 4.6552 7.9394 124.7223 57.1536 38.0883 176.4794 35 R 4.4976 7.5382 117.8966 55.9186 32.8866 176.6255 36 N 4.6550 7.5886 117.9311 52.2865 34.5691 174.6838 37 V 3.5573 7.7576 125.6566 67.1572 31.8409 176.4421 38 E 4.1165 8.1181 114.9637 59.8766 29.5860 179.6505 39 V 3.8631 7.6324 117.9819 64.9541 32.0164 178.0563 40 L 4.0227 8.3950 120.6866 57.4035 41.5340 179.2212 41 K 3.7866 9.0536 120.4047 60.0593 31.8206 178.4256 42 R 3.9578 8.0409 116.8426 58.6651 30.1608 177.7961 43 F 4.5650 9.3047 117.1232 56.2122 39.4436 174.7886 44 L 5.1262 7.4291 119.8985 52.9003 43.1054 176.6286 45 S 4.0918 8.7652 119.4057 61.3457 63.1516 174.7249 *49 K 4.1742 7.6350 120.1325 55.3585 33.8810 174.4650 50 I 4.4060 8.1794 122.9582 60.3609 37.8779 176.0161 51 L 4.2658 8.8180 128.9205 54.1331 41.9201 175.8284 52 P 4.4405 0.0000 0.0000 62.2022 32.1028 176.6454 53 R 4.3578 8.2506 119.1722 56.2827 28.0385 174.7016 *56 T 3.9916 8.1028 115.3249 61.2861 68.1372 175.0482 57 G 3.7045 8.7819 118.0023 47.5743 0.0000 173.2315 58 L 4.2757 7.4641 120.1256 55.2291 42.5183 176.8081 59 S 4.6350 9.3348 115.9855 56.4038 64.7556 174.9688 60 G 3.7756 8.5160 108.6158 49.2143 0.0000 174.8604 61 K 4.0638 7.9997 121.0539 58.6200 33.0686 178.9312 62 E 3.7799 8.6779 119.0543 59.4196 29.4306 177.3951 63 Q 4.2990 7.9086 117.7411 56.9120 29.6581 175.1944 64 R 4.3717 8.5059 123.5502 57.2782 29.6872 178.0061 65 I 3.6911 7.3682 114.8430 64.5176 37.2061 177.7455 66 L 3.7032 7.8967 120.6600 57.9994 41.7258 178.7297 67 A 3.9203 7.8083 119.6096 55.4685 18.4794 179.7054 68 K 3.9495 8.0573 116.7603 59.7037 32.0616 179.8703 69 T 3.8610 7.7302 115.9121 66.6979 68.3337 176.6288 70 I 3.6341 8.1191 122.0323 64.5437 36.9155 178.5896 71 K 3.8639 8.0741 118.2985 59.5228 31.9884 179.2736 72 R 4.0205 8.1131 118.1185 59.1376 29.9245 177.9450 73 A 3.9924 8.7787 120.5919 55.3560 18.3085 179.7371 74 R 4.2222 8.2847 116.0631 59.2921 30.0899 179.3033 75 I 4.0330 7.2840 118.0150 63.4610 36.7676 177.1890 76 L 4.6720 8.7084 120.3862 53.7814 41.7201 177.0858 77 G 4.1740 7.5503 104.5098 46.5019 0.0000 175.1425 78 L 4.3180 7.4994 118.9761 55.3735 42.4524 177.1743 79 L 4.7772 7.4232 117.9274 51.8813 44.9433 174.3751 80 P 4.7991 0.0000 0.0000 62.4548 32.5719 176.1737 81 F 4.3106 8.7834 117.0134 59.7031 39.6855 176.2062 82 T 4.1960 7.7462 117.8968 62.4612 67.1085 172.8260 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 30 D 8.22 4.57 0.00 2.75 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 31 L 8.56 3.96 0.00 1.72 1.64 0.89 0.46 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 32 R 7.92 4.28 0.00 1.95 2.03 0.00 3.17 0.00 0.00 3.18 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.55 0.00 33 D 7.58 4.34 0.00 2.49 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 Y 7.94 4.66 0.00 3.08 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 35 R 7.54 4.50 0.00 1.57 1.86 0.00 3.03 0.00 0.00 3.05 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.14 0.00 36 N 7.59 4.65 0.00 3.09 2.71 0.00 0.00 6.63 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 37 V 7.76 3.56 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 1.04 0.00 0.00 0.96 0.00 0.00 38 E 8.12 4.12 0.00 1.98 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 2.33 2.37 0.00 39 V 7.63 3.86 2.18 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 1.11 0.00 0.00 1.14 0.00 0.00 40 L 8.40 4.02 0.00 1.75 1.79 0.91 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 41 K 9.05 3.79 0.00 1.83 2.08 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.54 7.81 42 R 8.04 3.96 0.00 2.18 1.65 0.00 3.24 0.00 0.00 3.17 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.78 0.00 43 F 9.30 4.56 0.00 3.07 3.11 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 0.00 0.00 0.00 0.00 44 L 7.43 5.13 0.00 1.67 1.61 0.91 0.71 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 45 S 8.77 4.09 0.00 3.97 4.01 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 0.00 0.00 0.00 *49 K 7.64 4.17 0.00 1.78 1.83 0.00 1.67 0.00 0.00 1.84 0.00 0.00 2.86 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.46 1.51 7.81 50 I 8.18 4.41 1.89 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 1.35 0.49 0.94 0.00 0.00 51 L 8.82 4.27 0.00 1.61 1.64 0.87 1.12 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 52 P 0.00 4.44 0.00 2.19 2.06 0.00 3.80 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 53 R 8.25 4.36 0.00 1.84 2.00 0.00 3.38 0.00 0.00 2.48 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.61 0.00 *56 T 8.10 3.99 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 1.43 0.00 0.00 57 G 8.78 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.46 4.28 0.00 1.95 1.79 0.84 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 59 S 9.33 4.64 0.00 3.97 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 0.00 60 G 8.52 3.78 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 K 8.00 4.06 0.00 1.80 1.82 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.46 7.81 62 E 8.68 3.78 0.00 2.27 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 2.34 2.27 0.00 63 Q 7.91 4.30 0.00 2.06 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 5.61 0.00 0.00 0.00 0.00 0.00 2.39 2.35 0.00 64 R 8.51 4.37 0.00 2.04 2.09 0.00 3.23 0.00 0.00 3.33 7.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.62 0.00 65 I 7.37 3.69 1.97 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 1.39 0.80 0.87 0.00 0.00 66 L 7.90 3.70 0.00 1.57 1.51 0.19 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 67 A 7.81 3.92 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 68 K 8.06 3.95 0.00 1.80 1.83 0.00 1.65 0.00 0.00 1.61 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.45 7.81 69 T 7.73 3.86 4.32 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 1.32 0.00 0.00 70 I 8.12 3.63 1.99 0.00 0.00 0.82 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 0.68 0.86 0.00 0.00 71 K 8.07 3.86 0.00 1.78 1.85 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.68 7.81 72 R 8.11 4.02 0.00 1.81 1.68 0.00 2.89 0.00 0.00 2.36 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.76 0.00 73 A 8.78 3.99 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 74 R 8.28 4.22 0.00 1.65 0.73 0.00 2.89 0.00 0.00 2.63 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.52 0.00 75 I 7.28 4.03 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 1.64 0.74 0.95 0.00 0.00 76 L 8.71 4.67 0.00 1.78 1.70 1.09 0.31 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 77 G 7.55 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 0.00 0.00 0.00 0.00 78 L 7.50 4.32 0.00 1.70 1.74 0.95 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 79 L 7.42 4.78 0.00 1.64 1.40 0.90 1.02 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 80 P 0.00 4.80 0.00 2.21 2.08 0.00 3.72 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.99 0.00 81 F 8.78 4.31 0.00 3.05 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 82 T 7.75 4.20 4.33 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 1.26 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.