NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 T 4.3518 8.0327 112.9183 60.7800 71.4627 175.6194 4 V 3.6372 7.9027 119.7903 66.2331 31.2909 176.4831 5 Q 4.0164 8.4437 119.1849 58.6018 28.7257 177.8846 6 A 3.9836 7.8558 121.5145 55.3183 18.5553 179.5576 7 R 3.9506 9.2794 117.6012 59.3440 30.0674 178.6851 8 Q 3.9608 7.9315 118.1274 58.8029 28.7558 178.3034 9 L 3.9294 7.6007 121.1365 58.4712 42.0847 179.0277 10 L 4.0671 7.5397 117.3056 57.9329 41.5038 179.6219 11 S 4.1820 8.2393 113.3081 61.2119 62.2566 176.3664 12 G 3.6722 8.1977 108.3256 47.2354 0.0000 176.0370 13 I 3.7133 8.1892 122.7513 64.4148 37.2199 178.5546 14 V 3.5967 8.0431 119.3941 65.8953 31.2617 177.8931 15 Q 3.9134 8.1948 119.3174 59.2788 28.8941 177.7716 16 Q 3.9963 8.3468 120.8940 59.4844 28.9890 178.5050 17 Q 3.9773 8.2540 118.9912 58.8200 28.7311 178.2647 18 N 4.2932 7.9802 117.6460 56.6584 39.0422 176.4529 19 D 4.3923 8.4383 120.7394 57.6844 40.9280 179.0543 20 L 4.0211 8.2002 119.4655 57.6353 41.5061 179.4296 21 L 3.9676 7.9850 120.3901 58.2401 41.9691 179.2987 22 R 3.9547 8.1963 117.8754 58.8506 29.9356 178.7342 23 A 3.9874 8.0569 120.7154 55.4860 18.4882 179.8010 24 I 3.6808 8.1118 118.5233 64.5312 37.1018 178.6371 25 E 3.9831 8.6855 119.7489 59.3096 29.1609 179.2392 26 A 4.0824 8.3848 121.2072 55.2847 18.3926 179.7285 27 Q 4.0070 8.3564 116.4292 58.5533 28.6092 178.7615 28 Q 3.8817 7.8377 120.6220 59.5991 29.2277 177.5364 29 H 4.0353 8.1552 117.2365 59.2872 28.7420 177.6561 30 L 4.1185 7.7536 120.5329 57.5876 41.4434 179.4644 31 L 4.1401 8.0846 120.6165 57.1679 41.4394 179.2693 32 Q 4.0160 8.3898 119.8343 59.1006 29.0107 178.3437 33 L 4.0739 7.8998 119.8452 58.0948 41.8534 179.6335 34 T 4.1901 8.1948 109.7595 64.6268 68.5546 176.8490 35 V 3.8598 8.1840 121.3416 65.5708 31.4017 177.5681 36 W 4.2693 8.4249 127.2008 60.6484 30.8430 177.5566 37 G 4.0461 9.0699 105.7217 48.3609 0.0000 175.2750 38 I 3.6903 8.2550 123.2334 63.8085 36.9911 177.9709 39 K 4.1133 7.9323 118.3817 58.2236 32.2418 178.2435 40 Q 3.8010 7.5601 116.9276 57.7129 28.6679 176.4466 41 L 4.2685 7.2682 118.7333 55.3424 43.2910 175.8092 *52 M 4.3745 7.4828 114.2959 54.9556 32.3604 175.0508 53 E 3.7984 8.6865 116.8779 58.8250 29.7055 178.7641 54 W 4.3750 8.4926 128.6028 61.1132 30.4498 177.4377 55 D 4.3070 8.0908 117.9969 57.1785 40.1530 179.1403 56 R 3.8694 8.3999 119.1723 59.3378 30.1863 178.8356 57 E 3.9217 8.0724 117.8492 59.3668 29.3971 179.2629 58 I 3.5145 7.4012 119.8045 64.5431 37.1390 178.2849 59 N 4.3092 7.8527 117.0686 56.0801 38.4795 177.0587 60 N 4.1546 8.2066 118.6460 56.7344 38.9354 176.3991 61 Y 4.1854 7.7606 117.6983 60.6932 38.2044 177.8427 62 T 3.8694 8.1386 116.9920 66.7363 68.5071 176.4751 63 S 4.0720 8.1297 114.7578 61.2550 62.4607 175.6526 64 L 3.9092 7.6813 122.7034 58.5048 41.8152 178.9232 65 I 3.7710 8.4973 118.5778 64.2310 38.0026 177.5494 66 H 4.2227 8.4386 117.3588 58.4131 28.4419 177.6514 67 S 4.0780 8.4591 115.5803 61.5457 62.2578 176.3223 68 L 4.0320 8.0732 121.6251 57.7792 41.3062 179.6010 69 I 3.6935 7.8761 119.8577 64.1966 36.9551 177.9194 70 E 3.8593 8.0997 119.8519 59.1638 29.5500 178.3952 71 K 3.7959 7.9820 119.5624 59.9372 32.1713 178.6330 72 S 4.1008 8.2074 114.9450 61.8319 62.9152 176.5835 73 Q 4.0343 8.5015 121.0222 59.1237 28.4087 179.1069 74 N 4.3046 8.2828 117.3336 56.5190 38.7401 177.3388 75 Q 4.0086 8.6129 121.1423 59.1514 28.9926 178.2446 76 Q 3.9748 8.6460 121.1560 59.1729 28.5693 178.0020 77 E 4.0145 8.0411 119.2850 59.0308 29.3494 179.2956 78 K 3.9867 8.1238 119.9294 59.5694 32.2201 178.7158 79 N 4.3204 8.2878 116.7716 56.3654 38.2682 177.1478 80 E 4.0874 8.2748 119.7121 58.6855 29.3016 178.9287 81 Q 4.0180 7.4101 118.3975 58.9180 29.3625 177.4486 82 E 4.2517 8.3077 118.6158 58.8117 29.2262 178.5095 83 L 4.2232 7.7799 120.3996 57.0882 41.8991 177.2711 84 L 4.5339 7.2041 118.6915 54.9854 42.0910 176.1952 85 E 4.2496 7.7395 121.7170 56.3196 30.5514 175.2846 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 3 T 8.03 4.35 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 4 V 7.90 3.64 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 0.98 0.00 0.00 0.93 0.00 0.00 5 Q 8.44 4.02 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.68 0.00 0.00 0.00 0.00 0.00 2.45 2.42 0.00 6 A 7.86 3.98 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 7 R 9.28 3.95 0.00 2.00 2.08 0.00 3.10 0.00 0.00 3.17 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 8 Q 7.93 3.96 0.00 2.29 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.55 0.00 0.00 0.00 0.00 0.00 2.38 2.51 0.00 9 L 7.60 3.93 0.00 1.70 1.67 0.92 0.70 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 10 L 7.54 4.07 0.00 1.91 1.71 0.95 0.77 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 11 S 8.24 4.18 0.00 4.04 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 12 G 8.20 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 I 8.19 3.71 2.03 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 1.41 0.92 0.91 0.00 0.00 14 V 8.04 3.60 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 0.99 0.00 0.00 0.96 0.00 0.00 15 Q 8.19 3.91 0.00 2.30 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.54 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 16 Q 8.35 4.00 0.00 2.26 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.46 0.00 17 Q 8.25 3.98 0.00 2.41 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.68 0.00 18 N 7.98 4.29 0.00 2.85 3.01 0.00 0.00 7.19 8.68 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 19 D 8.44 4.39 0.00 3.06 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 20 L 8.20 4.02 0.00 1.82 1.72 0.92 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 21 L 7.98 3.97 0.00 1.86 1.83 0.92 0.99 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 22 R 8.20 3.95 0.00 2.04 1.96 0.00 3.19 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.89 0.00 23 A 8.06 3.99 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 24 I 8.11 3.68 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 1.00 0.90 0.00 0.00 25 E 8.69 3.98 0.00 2.17 2.04 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 2.33 2.50 0.00 26 A 8.38 4.08 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 27 Q 8.36 4.01 0.00 2.12 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.76 0.00 0.00 0.00 0.00 0.00 2.38 2.51 0.00 28 Q 7.84 3.88 0.00 2.25 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.71 0.00 0.00 0.00 0.00 0.00 2.18 2.36 0.00 29 H 8.16 4.04 0.00 3.42 3.35 0.00 5.67 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 30 L 7.75 4.12 0.00 1.83 1.73 0.97 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 31 L 8.08 4.14 0.00 1.84 1.73 0.91 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 32 Q 8.39 4.02 0.00 2.37 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.51 0.00 33 L 7.90 4.07 0.00 1.97 1.74 0.91 0.59 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 34 T 8.19 4.19 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 1.30 0.00 0.00 35 V 8.18 3.86 2.38 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 1.17 0.00 0.00 1.08 0.00 0.00 36 W 8.42 4.27 0.00 3.44 3.47 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.07 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 38 I 8.26 3.69 2.21 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.43 0.77 0.00 0.00 39 K 7.93 4.11 0.00 2.04 1.81 0.00 1.83 0.00 0.00 1.75 0.00 0.00 3.32 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.38 1.55 7.81 40 Q 7.56 3.80 0.00 1.88 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.57 0.00 0.00 0.00 0.00 0.00 1.57 1.17 0.00 41 L 7.27 4.27 0.00 1.57 1.61 0.90 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 *52 M 7.48 4.37 0.00 2.22 2.35 0.00 0.00 0.00 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.75 0.00 53 E 8.69 3.80 0.00 2.10 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 2.56 2.39 0.00 54 W 8.49 4.38 0.00 3.44 3.28 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.09 4.31 0.00 2.86 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.40 3.87 0.00 2.01 1.94 0.00 3.28 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.83 0.00 57 E 8.07 3.92 0.00 2.06 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.43 0.00 58 I 7.40 3.51 1.68 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 -0.36 0.70 0.00 0.00 59 N 7.85 4.31 0.00 2.75 2.81 0.00 0.00 6.70 8.06 0.00 0.00 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 N 8.21 4.15 0.00 2.62 2.59 0.00 0.00 7.17 7.11 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 61 Y 7.76 4.19 0.00 3.03 2.91 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 0.00 0.00 0.00 0.00 62 T 8.14 3.87 4.39 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 1.30 0.00 0.00 63 S 8.13 4.07 0.00 3.88 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 64 L 7.68 3.91 0.00 1.88 1.80 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 65 I 8.50 3.77 1.92 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 1.61 0.98 0.93 0.00 0.00 66 H 8.44 4.22 0.00 3.49 3.33 0.00 5.87 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 S 8.46 4.08 0.00 4.10 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 68 L 8.07 4.03 0.00 1.73 1.70 0.94 0.73 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 69 I 7.88 3.69 1.87 0.00 0.00 0.80 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 0.71 0.93 0.00 0.00 70 E 8.10 3.86 0.00 2.17 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 0.00 2.31 2.32 0.00 71 K 7.98 3.80 0.00 1.88 1.97 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.51 7.81 72 S 8.21 4.10 0.00 4.05 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 Q 8.50 4.03 0.00 2.25 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.82 0.00 0.00 0.00 0.00 0.00 2.39 2.60 0.00 74 N 8.28 4.30 0.00 2.92 2.86 0.00 0.00 6.65 7.18 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 75 Q 8.61 4.01 0.00 2.10 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 76 Q 8.65 3.97 0.00 2.23 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.58 0.00 77 E 8.04 4.01 0.00 2.24 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 2.33 2.54 0.00 78 K 8.12 3.99 0.00 1.84 1.79 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.47 7.81 79 N 8.29 4.32 0.00 2.91 2.85 0.00 0.00 7.08 7.14 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 80 E 8.27 4.09 0.00 2.03 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 2.33 2.43 0.00 81 Q 7.41 4.02 0.00 2.18 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.01 0.00 0.00 0.00 0.00 0.00 2.36 2.58 0.00 82 E 8.31 4.25 0.00 1.97 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 2.51 2.46 0.00 83 L 7.78 4.22 0.00 1.78 1.73 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 84 L 7.20 4.53 0.00 1.86 1.62 0.92 0.87 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 85 E 7.74 4.25 0.00 1.97 1.75 0.00 0.00 0.00 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 2.41 0.00 * Residues marked with a * may have inaccurate shift predictions.