NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3754 8.3044 120.3242 55.7444 33.4126 178.2486 2 D 4.5198 8.5277 123.0888 51.4591 39.6840 172.1608 3 N 4.8771 7.9593 117.3922 51.8289 41.1398 174.4363 4 K 4.0772 8.4549 117.0698 57.1927 32.6207 176.7881 5 T 4.2465 8.1454 116.9750 60.6234 68.4912 171.5636 6 P 4.5407 0.0000 0.0000 61.0772 33.7426 174.0277 7 V 4.2111 6.8374 116.3008 61.7822 34.1255 173.1691 8 T 4.0572 8.2426 117.9770 62.3158 67.6438 174.4074 9 L 3.7431 8.3359 127.7888 54.3012 41.3611 173.0910 10 A 4.6336 7.1029 117.0901 51.5985 22.9635 175.3748 11 K 5.1129 7.8930 122.0455 53.5734 35.4286 175.2266 12 V 3.8838 8.1924 126.7635 62.3365 32.0367 176.3685 13 I 3.6544 8.2206 128.6273 62.8412 38.0471 175.8667 14 K 4.2110 7.3824 117.6131 55.1034 34.5196 174.0085 15 V 3.8271 8.5158 124.8685 61.7939 31.3960 176.1285 16 L 3.9708 8.5087 127.3582 56.8823 42.5528 176.2928 17 G 3.7221 8.4875 105.8404 45.8059 0.0000 173.1664 *18 R 4.6397 8.0215 120.8594 56.9237 33.7450 169.2011 *19 T 4.3828 8.2858 115.7746 62.2749 68.0601 172.8262 20 G 4.1698 10.3950 108.5643 45.5057 0.0000 175.6728 *21 S 3.6130 9.8705 117.8570 59.3461 59.0261 171.1505 *22 R 4.1670 8.3931 122.6210 57.5694 29.2446 178.0038 23 G 4.0152 9.2905 108.4762 44.3641 0.0000 173.7901 24 G 3.7779 7.8035 106.5265 46.0185 0.0000 172.5103 25 V 4.2055 8.4959 117.2062 60.9227 33.8926 174.6648 26 T 4.3178 7.2394 118.7853 60.8281 70.4898 171.2516 27 Q 4.3358 8.0053 122.6400 56.9795 29.1505 176.3784 28 V 4.5280 8.0684 111.6190 60.5544 36.5266 173.5162 29 R 4.7707 8.1410 121.1715 54.8328 32.4808 176.0602 30 V 4.4529 8.3947 115.3698 59.6547 36.3804 174.2612 31 E 4.9480 8.2859 121.0223 54.4366 33.4886 175.5496 32 F 4.5355 7.9649 121.2097 56.8634 39.9443 176.2781 33 L 4.1150 8.4107 125.0478 57.2811 41.6260 177.2608 34 E 4.5981 7.4339 117.0172 55.0709 31.7833 174.2382 35 D 4.3344 8.6055 118.9322 55.5255 38.1363 173.5903 36 T 4.1014 7.7387 112.7367 62.9058 68.3558 172.8979 37 S 3.9311 8.7284 114.7449 59.3884 59.6869 171.5937 38 R 4.5134 7.9500 121.0844 54.9076 32.0346 172.9277 39 T 4.9906 8.4605 120.8278 60.1154 69.2996 173.1164 40 I 4.7498 8.2768 120.5854 59.4765 42.0396 173.6657 41 V 4.5866 8.2592 122.3384 61.5765 32.7039 175.0259 42 R 4.8714 8.2749 125.4239 54.2860 33.4913 174.6333 43 N 5.0106 8.6663 119.5400 52.1665 39.6558 174.0623 44 V 4.5656 8.0913 119.0308 61.3553 36.1333 173.1475 45 K 4.6201 8.8557 124.4501 55.7200 33.7696 176.6948 46 G 4.0014 9.0369 112.3521 44.7411 0.0000 170.9559 47 P 4.5930 0.0000 0.0000 62.1278 32.4255 175.1687 48 V 4.5411 7.6764 116.8342 60.5940 34.3160 173.8570 49 R 4.6924 8.4604 118.3250 53.8036 33.6912 175.4005 50 E 4.1663 8.3898 118.2770 57.2346 30.0691 176.7920 51 N 4.5363 8.8464 117.7351 53.4864 37.9538 174.0114 52 D 4.7137 7.6301 117.1816 54.9526 42.4204 175.1879 53 I 4.8228 8.2002 121.4875 59.6821 39.4419 174.9988 54 L 4.7921 8.7370 125.2622 53.2553 46.5697 175.0707 55 V 4.3499 8.3918 121.4776 61.7391 33.0530 175.8826 56 L 4.5886 8.5765 127.8875 52.9654 41.1170 176.2112 57 M 4.1428 8.3475 122.0583 58.7643 32.8926 178.4096 58 E 3.9311 8.2196 117.0397 59.5991 29.9631 179.5403 59 S 4.0534 8.1309 108.4456 58.5380 61.9153 170.1087 60 E 4.1790 7.6608 123.3500 57.0918 29.3015 175.5719 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 8.30 4.38 0.00 2.02 1.62 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.53 0.00 2 D 8.53 4.52 0.00 2.69 2.59 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 0.00 0.00 0.00 0.00 3 N 7.96 4.88 0.00 2.80 2.77 0.00 0.00 6.38 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 K 8.45 4.08 0.00 1.93 1.83 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.54 7.81 5 T 8.15 4.25 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 1.10 0.00 0.00 6 P 0.00 4.54 0.00 2.06 2.13 0.00 3.74 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.84 0.00 7 V 6.84 4.21 1.96 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 0.64 0.00 0.00 0.47 0.00 0.00 8 T 8.24 4.06 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 1.22 0.00 0.00 9 L 8.34 3.74 0.00 1.93 1.68 0.94 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 10 A 7.10 4.63 1.17 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 11 K 7.89 5.11 0.00 1.77 1.60 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.30 1.31 7.81 12 V 8.19 3.88 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 0.93 0.00 0.00 0.89 0.00 0.00 13 I 8.22 3.65 1.84 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 1.16 0.91 0.93 0.00 0.00 14 K 7.38 4.21 0.00 1.75 1.54 0.00 1.77 0.00 0.00 1.86 0.00 0.00 2.92 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.28 1.47 7.81 15 V 8.52 3.83 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.95 0.00 0.00 16 L 8.51 3.97 0.00 1.59 1.88 0.91 1.11 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 17 G 8.49 3.72 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 0.00 0.00 0.00 *18 R 8.02 4.64 0.00 1.94 1.79 0.00 3.27 0.00 0.00 3.26 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.92 0.00 *19 T 8.29 4.38 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 20 G 10.40 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 *21 S 9.87 3.61 0.00 3.80 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *22 R 8.39 4.17 0.00 1.91 1.96 0.00 3.18 0.00 0.00 3.34 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.18 0.00 23 G 9.29 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 0.00 0.00 0.00 24 G 7.80 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 25 V 8.50 4.21 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 0.87 0.00 0.00 0.97 0.00 0.00 26 T 7.24 4.32 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 27 Q 8.01 4.34 0.00 1.92 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.76 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 28 V 8.07 4.53 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 0.80 0.00 0.00 0.90 0.00 0.00 29 R 8.14 4.77 0.00 1.75 1.77 0.00 3.05 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.56 0.00 30 V 8.39 4.45 1.87 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 0.75 0.00 0.00 0.60 0.00 0.00 31 E 8.29 4.95 0.00 1.78 1.77 0.00 0.00 0.00 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 2.20 0.00 32 F 7.96 4.54 0.00 3.04 3.06 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 0.00 0.00 0.00 0.00 33 L 8.41 4.12 0.00 1.72 1.77 0.94 0.84 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 34 E 7.43 4.60 0.00 1.86 1.83 0.00 0.00 0.00 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 2.29 0.00 35 D 8.61 4.33 0.00 2.80 2.70 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 36 T 7.74 4.10 4.28 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 1.23 0.00 0.00 37 S 8.73 3.93 0.00 4.09 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 38 R 7.95 4.51 0.00 1.98 1.97 0.00 3.30 0.00 0.00 3.35 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.92 0.00 39 T 8.46 4.99 4.36 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 1.21 0.00 0.00 40 I 8.28 4.75 1.88 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.43 0.96 0.00 0.00 41 V 8.26 4.59 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.91 0.00 0.00 42 R 8.27 4.87 0.00 1.71 1.74 0.00 3.42 0.00 0.00 3.25 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.63 0.00 43 N 8.67 5.01 0.00 2.72 2.94 0.00 0.00 5.77 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 44 V 8.09 4.57 2.07 0.00 0.00 0.00 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 0.98 0.00 0.00 45 K 8.86 4.62 0.00 1.78 1.65 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.75 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.31 1.41 7.81 46 G 9.04 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.59 0.00 2.18 2.07 0.00 3.75 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.05 0.00 48 V 7.68 4.54 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.96 0.00 0.00 49 R 8.46 4.69 0.00 1.95 1.79 0.00 3.17 0.00 0.00 3.21 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 50 E 8.39 4.17 0.00 2.13 2.03 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 2.27 2.25 0.00 51 N 8.85 4.54 0.00 2.86 3.10 0.00 0.00 7.07 8.47 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 52 D 7.63 4.71 0.00 2.71 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 I 8.20 4.82 1.88 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 1.35 0.49 0.96 0.00 0.00 54 L 8.74 4.79 0.00 1.55 1.50 0.92 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 55 V 8.39 4.35 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 0.86 0.00 0.00 0.96 0.00 0.00 56 L 8.58 4.59 0.00 1.87 1.73 0.92 0.89 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 57 M 8.35 4.14 0.00 2.02 2.13 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.71 0.00 58 E 8.22 3.93 0.00 2.02 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 2.41 2.25 0.00 59 S 8.13 4.05 0.00 4.19 4.14 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 0.00 0.00 0.00 60 E 7.66 4.18 0.00 2.03 1.81 0.00 0.00 0.00 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 2.25 0.00 * Residues marked with a * may have inaccurate shift predictions.