NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2446 8.3049 120.3396 54.4519 33.1789 176.1085 2 I 3.8474 8.4565 123.1301 58.5966 38.5557 174.0541 3 K 4.2571 9.0634 129.6149 53.8112 32.5167 174.0194 4 P 4.3412 0.0000 0.0000 62.5985 32.1849 176.0097 5 L 4.6520 8.3596 121.3378 54.0615 44.6795 176.0767 6 G 3.8620 8.0942 111.5749 47.3255 0.0000 174.4636 7 D 4.9317 8.4873 121.1749 54.4653 40.5993 173.3843 8 R 5.1478 7.5155 114.2771 54.8773 35.3091 175.7371 9 V 4.7931 8.7331 111.5298 60.4439 36.7970 173.9216 10 V 4.7077 8.9079 123.4134 61.4222 33.5939 175.0338 11 V 4.9636 8.6333 120.6842 59.4335 35.6744 174.3146 12 K 4.6909 8.8582 124.8725 54.5318 33.7193 176.0124 13 R 4.4007 8.7036 127.7235 57.0399 30.5810 175.4347 14 I 4.1850 8.1719 121.7559 62.1649 39.2678 174.6911 *34 P 4.1082 0.0000 0.0000 62.2896 32.5331 176.0034 35 Q 4.3915 8.1749 120.7879 53.7773 32.7087 174.5150 36 K 5.0484 8.2160 120.6634 54.8100 35.3864 175.4149 37 G 4.6638 9.0684 110.1873 45.2163 0.0000 171.1296 38 K 5.0258 9.0430 122.1560 54.2426 34.3760 175.6224 39 V 4.1778 8.8982 129.0392 63.1680 32.0586 175.9943 40 I 4.7261 8.6403 120.1054 60.5712 39.3044 175.3524 41 A 4.5548 7.4919 122.1778 51.2795 22.1633 175.5605 42 V 4.6170 8.4432 114.1838 59.4999 35.5432 176.1548 43 G 4.1080 8.7785 111.4738 45.6658 0.0000 173.4647 44 T 4.1304 8.5477 108.7252 62.5581 69.4848 175.6493 45 G 4.3715 8.6735 108.4303 45.9216 0.0000 172.8138 46 R 4.1060 8.2094 117.9342 55.7519 30.7608 174.9113 47 V 4.6639 8.0836 123.3115 61.1188 33.3265 175.4595 48 L 4.4726 9.0964 128.1254 53.7013 42.6144 177.6111 49 E 4.1207 8.7392 119.4289 58.1482 29.3186 177.3996 50 N 4.8243 8.2563 115.3017 52.3005 37.8000 173.8611 51 G 4.2131 8.6773 109.7132 45.8762 0.0000 174.9059 52 Q 4.0219 8.0371 117.9603 56.5829 29.9631 176.3324 53 R 4.9855 8.4867 123.3168 54.6686 32.0090 175.3657 54 V 4.0574 8.8855 128.0495 61.2102 32.2977 173.7997 55 P 4.7359 0.0000 0.0000 62.3042 32.0927 176.5571 56 L 4.4461 8.3368 121.0215 55.0947 42.1533 176.8416 57 E 4.4072 9.0146 121.4437 56.1577 29.5500 175.9501 58 V 4.6426 7.4386 109.5633 59.6084 35.5125 174.0855 59 K 4.7280 10.1175 120.1601 54.5986 35.7435 175.5780 60 E 4.2911 8.5312 118.7410 58.1565 29.7641 176.5747 61 G 4.1264 9.2328 110.9860 45.5619 0.0000 174.1555 62 D 4.4487 7.8722 119.3502 54.7892 42.1750 176.0302 63 I 4.6681 8.4456 123.9222 60.5306 38.5743 175.2519 64 V 4.8787 8.7974 120.9558 59.6463 35.0893 175.0344 65 V 4.9177 8.8878 123.3529 61.3355 33.4769 174.5828 66 F 5.5632 8.6863 122.4382 54.3318 41.9137 174.0178 67 A 4.2189 8.4074 121.5898 52.4746 18.9598 177.5705 68 K 3.9474 8.6147 123.5728 57.7209 32.7890 176.0607 69 Y 3.8951 8.3993 119.8084 58.6947 35.7877 170.2756 70 G 3.9456 8.2411 108.8143 45.3158 0.0000 174.8863 71 G 3.9036 8.5080 110.0234 44.9614 0.0000 172.6932 72 T 4.6167 8.2692 115.2220 61.6127 70.4731 174.4892 73 E 4.7402 8.8182 126.4121 56.3012 30.7283 176.2403 74 I 4.6101 8.7426 123.6123 59.5774 41.6148 173.0894 75 E 5.3011 8.8906 129.9815 54.8831 32.2377 175.5863 76 I 4.3015 9.2770 126.8637 61.4273 40.6838 174.8200 77 D 4.6922 9.5332 127.3317 55.5576 37.7240 175.5088 78 G 3.9906 8.4203 105.9462 45.6737 0.0000 173.7723 79 E 4.4789 7.7640 119.4660 54.9060 31.0605 174.5152 80 E 5.1532 8.2009 121.5809 55.0395 31.9208 174.6423 81 Y 4.8698 9.1880 120.5375 56.2628 43.3980 174.3188 82 V 4.8519 8.4823 118.9320 61.5748 34.8980 174.0091 83 I 4.6828 8.8294 129.5785 60.4792 38.6652 174.9969 84 L 4.9866 8.7810 125.7780 53.0410 46.3467 176.4254 85 S 4.8158 8.4928 117.3484 57.6349 64.2629 175.2253 86 E 3.9826 8.7547 124.0970 59.1734 29.5406 179.4759 87 R 4.0526 7.9150 114.0424 58.5590 29.7304 176.8898 88 D 4.5144 8.1747 117.6525 54.7969 41.2261 175.8139 89 L 4.6991 7.4669 120.2767 53.3712 41.1051 176.6210 90 L 4.2539 8.5548 124.2161 56.9994 41.7849 177.5052 91 A 4.5447 7.7021 117.3002 51.3433 23.0889 173.9564 92 V 4.7255 8.2355 118.8218 61.3032 33.3498 174.8374 93 L 4.6006 8.8972 129.3654 53.6553 42.4845 177.0084 94 Q 4.0671 8.3975 121.2666 56.4839 28.5508 174.4465 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 4.24 0.00 1.91 1.84 0.00 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 2 I 8.46 3.85 1.63 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.48 0.79 0.00 0.00 3 K 9.06 4.26 0.00 1.67 1.71 0.00 1.76 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.33 1.42 7.81 4 P 0.00 4.34 0.00 2.05 1.94 0.00 3.67 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.07 0.00 5 L 8.36 4.65 0.00 1.67 1.54 0.91 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 6 G 8.09 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 D 8.49 4.93 0.00 2.81 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 8 R 7.52 5.15 0.00 1.96 1.75 0.00 3.16 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.55 0.00 9 V 8.73 4.79 2.17 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 0.62 0.00 0.00 0.88 0.00 0.00 10 V 8.91 4.71 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 1.08 0.00 0.00 0.87 0.00 0.00 11 V 8.63 4.96 2.17 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 0.70 0.00 0.00 0.74 0.00 0.00 12 K 8.86 4.69 0.00 1.82 1.66 0.00 1.08 0.00 0.00 1.34 0.00 0.00 2.75 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.27 1.28 7.81 13 R 8.70 4.40 0.00 1.95 1.84 0.00 3.28 0.00 0.00 3.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.79 0.00 14 I 8.17 4.19 1.87 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.82 0.91 0.00 0.00 *34 P 0.00 4.11 0.00 1.84 1.90 0.00 3.51 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 2.04 0.00 35 Q 8.17 4.39 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.76 0.00 0.00 0.00 0.00 0.00 1.83 2.07 0.00 36 K 8.22 5.05 0.00 1.62 1.66 0.00 1.63 0.00 0.00 1.80 0.00 0.00 2.83 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.31 7.81 37 G 9.07 4.66 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 38 K 9.04 5.03 0.00 1.81 1.70 0.00 1.65 0.00 0.00 1.59 0.00 0.00 2.80 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.37 1.38 7.81 39 V 8.90 4.18 2.23 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 0.83 0.00 0.00 0.99 0.00 0.00 40 I 8.64 4.73 1.93 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.90 1.02 0.00 0.00 41 A 7.49 4.55 1.19 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 0.00 0.00 0.00 0.00 0.00 0.00 42 V 8.44 4.62 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 0.74 0.00 0.00 0.93 0.00 0.00 43 G 8.78 4.11 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 0.00 0.00 0.00 44 T 8.55 4.13 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 1.20 0.00 0.00 45 G 8.67 4.37 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 0.00 46 R 8.21 4.11 0.00 1.86 1.80 0.00 3.15 0.00 0.00 3.26 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.61 0.00 47 V 8.08 4.66 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 48 L 9.10 4.47 0.00 1.92 1.56 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.74 4.12 0.00 1.95 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 2.32 2.25 0.00 50 N 8.26 4.82 0.00 2.79 2.86 0.00 0.00 6.31 7.00 0.00 0.00 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 G 8.68 4.21 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 Q 8.04 4.02 0.00 2.21 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.72 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 53 R 8.49 4.99 0.00 1.80 1.81 0.00 3.22 0.00 0.00 3.35 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.68 0.00 54 V 8.89 4.06 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 0.89 0.00 0.00 0.93 0.00 0.00 55 P 0.00 4.74 0.00 1.97 1.97 0.00 3.73 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.12 0.00 56 L 8.34 4.45 0.00 1.63 1.60 1.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 57 E 9.01 4.41 0.00 2.00 1.94 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 2.28 2.27 0.00 58 V 7.44 4.64 2.09 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 0.84 0.00 0.00 0.93 0.00 0.00 59 K 10.12 4.73 0.00 1.68 1.87 0.00 1.32 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.52 1.39 7.81 60 E 8.53 4.29 0.00 1.99 1.94 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 2.32 2.32 0.00 61 G 9.23 4.13 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 D 7.87 4.45 0.00 2.81 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.45 4.67 2.06 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.93 0.98 0.00 0.00 64 V 8.80 4.88 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 0.70 0.00 0.00 1.14 0.00 0.00 65 V 8.89 4.92 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 0.96 0.00 0.00 0.96 0.00 0.00 66 F 8.69 5.56 0.00 3.18 3.07 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 0.00 0.00 0.00 0.00 67 A 8.41 4.22 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 68 K 8.61 3.95 0.00 1.52 1.35 0.00 1.58 0.00 0.00 0.95 0.00 0.00 2.77 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.30 1.03 7.81 69 Y 8.40 3.90 0.00 3.22 2.96 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 70 G 8.24 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 0.00 0.00 0.00 71 G 8.51 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 0.00 0.00 0.00 72 T 8.27 4.62 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 73 E 8.82 4.74 0.00 1.89 1.92 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 2.37 2.31 0.00 74 I 8.74 4.61 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 1.10 1.54 1.02 0.00 0.00 75 E 8.89 5.30 0.00 2.04 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.48 0.00 76 I 9.28 4.30 1.93 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.75 0.92 0.00 0.00 77 D 9.53 4.69 0.00 2.89 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 G 8.42 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 0.00 0.00 0.00 79 E 7.76 4.48 0.00 2.42 1.56 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 2.46 2.48 0.00 80 E 8.20 5.15 0.00 1.73 1.82 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 2.23 2.28 0.00 81 Y 9.19 4.87 0.00 2.85 2.82 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 82 V 8.48 4.85 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 0.77 0.00 0.00 0.96 0.00 0.00 83 I 8.83 4.68 1.85 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.49 0.88 0.00 0.00 84 L 8.78 4.99 0.00 1.36 1.37 -0.13 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 85 S 8.49 4.82 0.00 3.88 3.77 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 0.00 0.00 0.00 86 E 8.75 3.98 0.00 2.01 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 0.00 2.31 2.26 0.00 87 R 7.92 4.05 0.00 1.97 2.06 0.00 3.09 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 88 D 8.17 4.51 0.00 3.02 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 L 7.47 4.70 0.00 1.80 1.69 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 90 L 8.55 4.25 0.00 1.79 1.74 1.02 0.54 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 91 A 7.70 4.54 1.21 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 0.00 0.00 0.00 0.00 0.00 0.00 92 V 8.24 4.73 2.09 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 0.89 0.00 0.00 0.95 0.00 0.00 93 L 8.90 4.60 0.00 1.54 1.59 0.90 0.77 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 94 Q 8.40 4.07 0.00 2.10 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.65 0.00 0.00 0.00 0.00 0.00 2.22 2.35 0.00 * Residues marked with a * may have inaccurate shift predictions.