NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 Q 4.1447 8.2027 121.7249 56.1897 30.7881 176.6254 2 V 3.4705 7.9953 112.4655 61.5072 30.6956 170.1106 3 Q 4.0699 8.3730 122.8612 57.5515 30.7717 174.7616 4 L 5.1587 8.4654 125.2159 52.8201 45.1067 175.4849 5 L 4.5341 8.9912 126.5889 53.6036 43.3464 175.2424 6 E 5.0166 8.6906 126.2167 55.4417 31.0222 176.5819 7 S 4.5190 8.3467 117.2625 57.3749 64.5737 174.0129 8 G 3.8565 8.5153 110.1202 44.2530 0.0000 171.5797 9 P 4.4079 0.0000 0.0000 62.7396 31.7188 175.6689 10 E 4.6942 8.5166 119.1214 54.3753 32.6763 174.9885 11 L 4.7599 8.3401 123.8725 53.1766 44.5116 175.5291 12 K 4.5995 8.2257 123.1373 55.3208 36.2352 175.4085 13 K 4.4759 8.3381 120.1677 54.2260 33.6084 175.0267 14 P 4.2076 0.0000 0.0000 64.3527 31.6314 177.4271 15 G 3.9693 8.7737 108.5443 45.7498 0.0000 173.7825 16 E 4.4596 7.3267 118.9504 55.7640 31.6526 175.5407 17 T 4.6416 8.1161 114.6148 62.6179 72.4220 173.3263 18 V 4.3744 8.1080 123.5114 60.9361 34.5098 175.2025 19 K 4.2477 8.1851 124.2571 55.1303 33.7285 175.3972 20 I 4.3768 7.9784 127.4081 59.9099 38.8327 175.1262 21 S 5.0408 8.4666 117.3215 57.0576 66.9064 172.5044 22 C 5.0337 8.6783 120.2406 55.8154 42.5212 172.8241 23 K 4.4658 9.3144 129.8539 55.2130 32.9630 175.2467 24 A 5.0148 8.4953 129.9134 50.6715 19.9309 176.7439 25 S 4.1873 8.7971 116.6985 58.2015 64.6688 174.2129 26 G 3.2507 8.2785 108.3850 46.2511 0.0000 173.6019 27 Y 3.9377 8.6540 115.7748 58.8116 35.8326 170.5705 28 T 4.5794 7.6967 113.5399 63.4353 69.7804 175.5041 29 F 4.3368 8.0467 122.5143 61.6910 39.2231 176.2885 30 T 4.3825 7.8839 106.4410 60.9229 68.7209 174.4945 31 N 4.7520 8.1171 116.7163 53.5978 39.1208 173.6949 32 Y 4.7913 7.4724 114.5567 56.9388 42.0387 173.9116 33 G 4.1621 8.5252 110.4125 44.4925 0.0000 173.3032 34 M 4.3429 8.6953 123.3523 54.3230 32.9834 175.1164 35 N 5.4383 8.5726 121.2121 51.4117 41.5859 174.5901 36 W 4.9175 8.7186 121.4763 54.8681 32.0919 174.9224 37 V 4.9199 8.5960 124.1770 59.7350 33.4719 175.0122 38 K 4.4248 9.2948 126.4321 55.7004 34.0523 175.3143 39 Q 4.8401 8.4997 126.3850 53.9903 29.9414 174.0731 40 A 4.1373 8.4272 127.6635 50.2444 19.4149 174.9789 41 P 4.2995 0.0000 0.0000 64.0992 30.9754 176.2527 42 G 4.0006 8.8503 112.8247 46.3635 0.0000 172.5129 43 K 4.6694 8.0795 116.4395 53.7792 36.2191 176.7308 44 G 3.9184 8.3583 109.4253 44.8672 0.0000 173.4739 45 L 4.4932 8.1837 119.4848 54.7520 42.7307 177.2824 46 K 4.6570 9.0404 121.3498 54.3170 36.0925 175.5177 47 W 4.6349 9.1901 135.0000 57.9714 30.7610 175.5300 48 M 4.1032 9.4145 126.5484 55.0650 33.0158 175.2307 49 G 2.1623 5.3800 103.9887 43.7197 0.0000 171.8888 50 W 5.4125 7.9356 116.2676 55.8296 31.4589 173.5129 51 I 4.2381 9.1905 120.2453 58.7928 40.8459 173.6916 52 N 4.7610 8.1037 128.1563 53.5078 39.8918 174.9207 *1052 T 4.3178 8.4002 114.9631 61.9780 69.1115 173.5998 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 Q 8.20 4.14 0.00 2.15 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.02 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 2 V 8.00 3.47 2.02 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 0.80 0.00 0.00 0.97 0.00 0.00 3 Q 8.37 4.07 0.00 2.12 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.83 6.53 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 4 L 8.47 5.16 0.00 1.48 1.49 0.80 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 5 L 8.99 4.53 0.00 1.65 1.54 0.92 0.88 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 6 E 8.69 5.02 0.00 1.93 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.27 0.00 7 S 8.35 4.52 0.00 3.85 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 8 G 8.52 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 9 P 0.00 4.41 0.00 2.19 2.08 0.00 3.71 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.00 0.00 10 E 8.52 4.69 0.00 1.91 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 2.34 2.17 0.00 11 L 8.34 4.76 0.00 1.55 1.50 0.92 0.55 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 12 K 8.23 4.60 0.00 1.72 1.82 0.00 1.86 0.00 0.00 1.85 0.00 0.00 2.91 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.33 1.44 7.81 13 K 8.34 4.48 0.00 1.76 1.70 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.89 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.63 7.81 14 P 0.00 4.21 0.00 2.02 1.99 0.00 3.71 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.09 0.00 15 G 8.77 3.97 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 0.00 0.00 0.00 16 E 7.33 4.46 0.00 1.97 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 2.31 2.38 0.00 17 T 8.12 4.64 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 1.16 0.00 0.00 18 V 8.11 4.37 2.01 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 0.77 0.00 0.00 0.88 0.00 0.00 19 K 8.19 4.25 0.00 1.63 1.60 0.00 1.76 0.00 0.00 1.66 0.00 0.00 2.92 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.28 1.38 7.81 20 I 7.98 4.38 1.65 0.00 0.00 0.73 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 0.63 1.02 0.00 0.00 21 S 8.47 5.04 0.00 3.93 3.97 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 22 C 8.68 5.03 0.00 3.14 3.12 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 0.00 0.00 0.00 23 K 9.31 4.47 0.00 1.81 1.65 0.00 1.59 0.00 0.00 1.61 0.00 0.00 2.79 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.32 1.29 7.81 24 A 8.50 5.01 1.43 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 0.00 0.00 0.00 0.00 0.00 0.00 25 S 8.80 4.19 0.00 3.86 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 26 G 8.28 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.65 3.94 0.00 3.19 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 T 7.70 4.58 4.35 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 1.44 0.00 0.00 29 F 8.05 4.34 0.00 2.94 3.20 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 30 T 7.88 4.38 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 31 N 8.12 4.75 0.00 2.74 2.33 0.00 0.00 6.66 6.91 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 32 Y 7.47 4.79 0.00 2.92 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.53 4.16 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 0.00 0.00 0.00 34 M 8.70 4.34 0.00 1.89 2.05 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.33 0.00 35 N 8.57 5.44 0.00 2.66 2.96 0.00 0.00 6.97 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 36 W 8.72 4.92 0.00 3.15 2.99 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 37 V 8.60 4.92 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 1.02 0.00 0.00 38 K 9.29 4.42 0.00 1.84 1.73 0.00 1.57 0.00 0.00 1.58 0.00 0.00 2.82 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.41 1.40 7.81 39 Q 8.50 4.84 0.00 2.07 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.78 0.00 0.00 0.00 0.00 0.00 2.25 2.54 0.00 40 A 8.43 4.14 1.28 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 0.00 0.00 41 P 0.00 4.30 0.00 2.19 2.15 0.00 3.93 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.02 0.00 42 G 8.85 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 43 K 8.08 4.67 0.00 1.89 1.69 0.00 1.73 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.60 1.51 7.81 44 G 8.36 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 0.00 0.00 0.00 45 L 8.18 4.49 0.00 1.59 1.68 0.95 0.84 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 46 K 9.04 4.66 0.00 1.75 1.72 0.00 1.60 0.00 0.00 1.61 0.00 0.00 2.89 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.48 7.81 47 W 9.19 4.63 0.00 3.29 3.21 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 48 M 9.41 4.10 0.00 1.76 2.15 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.44 0.00 49 G 5.38 2.16 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 0.00 0.00 0.00 50 W 7.94 5.41 0.00 3.61 3.39 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 51 I 9.19 4.24 1.93 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 1.11 1.34 1.05 0.00 0.00 52 N 8.10 4.76 0.00 2.44 2.52 0.00 0.00 6.92 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *1052 T 8.40 4.32 2.84 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 0.00 0.00 0.97 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.