NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 Q 4.2927 8.3444 119.6883 55.7242 31.0176 175.2576 2 V 4.0862 7.6743 117.8901 62.5863 32.2407 173.9838 3 Q 4.7178 10.2194 126.7135 54.6552 34.3689 172.9930 4 L 5.1048 8.4733 121.2340 53.1371 44.2337 176.0990 5 L 4.4607 9.0080 125.9140 53.4804 42.7158 175.7145 6 E 5.0413 8.6499 125.5769 54.7978 31.1074 175.8307 7 S 4.4659 8.7728 120.5375 57.7896 64.3038 173.8011 8 G 3.8192 8.5064 109.6532 44.5994 0.0000 173.2257 9 A 4.2200 8.2827 121.9777 52.1696 18.9109 176.8680 10 E 4.7946 8.4195 118.6241 54.3402 33.2381 175.4291 11 L 4.6751 8.3603 121.9276 53.2953 44.8249 175.4920 12 A 4.7277 8.2808 127.0154 50.6565 22.6274 175.1744 13 R 4.4901 8.1277 118.0333 53.9338 31.8109 174.7137 14 P 4.4457 0.0000 0.0000 64.5363 31.6553 177.1033 15 G 3.8728 8.9744 110.6657 45.3155 0.0000 173.2947 16 A 4.4016 7.4234 122.1856 51.2977 19.7839 176.1867 17 S 4.7669 8.0955 111.4756 57.0028 66.0690 173.6242 18 V 4.4741 7.9468 113.1142 59.5958 35.4253 175.0278 19 K 4.3481 8.3542 121.7472 54.7087 34.1760 175.6452 20 L 4.6693 8.1781 126.2800 53.6167 43.5053 175.7349 21 S 5.0998 8.9290 115.0441 57.2414 67.2090 172.1627 22 C 5.2986 8.8804 120.1270 55.3692 44.2590 172.5863 23 K 4.5200 9.2047 128.3994 54.7719 33.5927 174.8841 24 A 5.1406 8.1593 129.3466 51.0935 20.5827 176.5228 25 S 4.3536 9.1470 115.3353 58.0419 66.2010 175.0158 26 G 4.1342 9.7991 111.6173 45.5519 0.0000 172.3243 27 Y 4.8261 7.1306 115.6236 55.3818 41.2397 174.9889 28 T 4.0726 8.7023 116.6842 63.1855 67.7122 175.1541 29 F 4.0940 8.6965 130.3206 61.1710 39.4114 175.9591 30 T 3.9172 7.7949 107.8373 61.7220 68.8181 174.7000 31 T 4.4635 7.4196 109.2095 60.3752 69.3105 173.0230 32 Y 4.9639 7.0142 117.6113 56.3105 42.0219 174.6897 33 W 4.8021 9.0447 121.4318 56.7224 30.7090 175.3750 34 M 4.8999 9.3659 122.3384 54.0612 34.4443 174.5785 35 Q 5.4606 8.8018 124.0087 54.2485 31.8745 174.7916 36 W 4.8561 9.1273 120.7222 54.9952 32.6216 174.8140 37 V 5.0130 8.6835 123.0183 61.1752 34.4307 174.2311 38 R 4.7778 9.3038 126.7503 54.7136 33.2044 174.7506 39 Q 4.6060 8.4638 125.2463 54.6320 31.2325 174.6452 40 R 4.2480 8.5693 125.7700 54.5585 31.1858 174.5597 41 P 4.2202 0.0000 0.0000 64.5017 31.4604 176.8509 42 G 3.8683 8.8955 109.9828 46.0658 0.0000 172.6200 43 Q 4.5134 8.1291 118.6580 53.7666 31.1123 174.9866 44 G 4.0032 8.1326 108.5687 44.2754 0.0000 173.1708 45 L 4.4605 8.1946 119.1024 54.7715 42.5312 177.0335 46 E 4.8038 9.1631 122.0270 54.1394 33.2975 174.9309 47 W 4.6889 9.1130 134.8351 58.0086 31.1209 175.0505 48 I 3.9182 8.2974 128.3416 61.4743 37.9551 175.9055 49 G 3.2012 6.5052 105.7207 45.7565 0.0000 170.9923 50 A 5.8291 8.8040 120.2149 50.4627 22.6539 175.4307 51 I 4.8594 9.3329 118.7497 59.6949 42.2557 173.6810 52 Y 3.9606 8.2949 129.5396 55.0272 39.7258 173.7774 *521 P 4.0315 0.0000 0.0000 62.4228 31.7389 176.8687 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 8.34 4.29 0.00 2.08 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.89 0.00 0.00 0.00 0.00 0.00 2.27 2.36 0.00 2 V 7.67 4.09 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 0.90 0.00 0.00 1.02 0.00 0.00 3 Q 10.22 4.72 0.00 1.99 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.51 0.00 0.00 0.00 0.00 0.00 2.28 2.35 0.00 4 L 8.47 5.10 0.00 1.46 1.55 1.03 0.92 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 5 L 9.01 4.46 0.00 1.55 1.61 0.90 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 6 E 8.65 5.04 0.00 1.98 1.86 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 2.35 2.56 0.00 7 S 8.77 4.47 0.00 3.96 3.93 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 0.00 0.00 0.00 8 G 8.51 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 0.00 0.00 0.00 9 A 8.28 4.22 1.26 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 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.42 4.79 0.00 1.92 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 2.37 2.20 0.00 11 L 8.36 4.68 0.00 1.52 1.49 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 12 A 8.28 4.73 1.18 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 0.00 0.00 13 R 8.13 4.49 0.00 1.88 1.84 0.00 3.14 0.00 0.00 3.33 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.63 0.00 14 P 0.00 4.45 0.00 2.03 2.00 0.00 3.67 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 2.03 2.09 0.00 15 G 8.97 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 A 7.42 4.40 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 17 S 8.10 4.77 0.00 3.88 3.76 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 18 V 7.95 4.47 2.06 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 0.71 0.00 0.00 0.89 0.00 0.00 19 K 8.35 4.35 0.00 1.60 1.61 0.00 1.72 0.00 0.00 1.68 0.00 0.00 2.79 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.25 1.33 7.81 20 L 8.18 4.67 0.00 1.46 1.71 0.99 0.89 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 21 S 8.93 5.10 0.00 3.92 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 8.88 5.30 0.00 3.04 3.09 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 0.00 0.00 0.00 0.00 23 K 9.20 4.52 0.00 1.80 1.60 0.00 1.60 0.00 0.00 1.59 0.00 0.00 2.78 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.23 1.20 7.81 24 A 8.16 5.14 1.09 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 0.00 0.00 0.00 0.00 0.00 0.00 25 S 9.15 4.35 0.00 3.83 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 26 G 9.80 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 27 Y 7.13 4.83 0.00 3.02 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 0.00 28 T 8.70 4.07 4.47 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 1.23 0.00 0.00 29 F 8.70 4.09 0.00 2.59 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 30 T 7.79 3.92 4.06 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 1.16 0.00 0.00 31 T 7.42 4.46 3.84 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 1.10 0.00 0.00 32 Y 7.01 4.96 0.00 3.06 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 33 W 9.04 4.80 0.00 3.31 3.33 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 0.00 34 M 9.37 4.90 0.00 2.20 1.99 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.28 0.00 35 Q 8.80 5.46 0.00 2.05 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.45 0.00 0.00 0.00 0.00 0.00 2.40 2.39 0.00 36 W 9.13 4.86 0.00 3.26 3.09 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 0.00 0.00 0.00 0.00 37 V 8.68 5.01 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 0.92 0.00 0.00 1.10 0.00 0.00 38 R 9.30 4.78 0.00 1.90 1.77 0.00 3.11 0.00 0.00 3.11 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.57 0.00 39 Q 8.46 4.61 0.00 2.07 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.83 0.00 0.00 0.00 0.00 0.00 2.25 2.51 0.00 40 R 8.57 4.25 0.00 1.93 1.84 0.00 3.22 0.00 0.00 3.35 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.67 0.00 41 P 0.00 4.22 0.00 2.04 2.05 0.00 3.81 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 2.05 2.13 0.00 42 G 8.90 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 Q 8.13 4.51 0.00 2.18 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.77 0.00 0.00 0.00 0.00 0.00 2.51 2.43 0.00 44 G 8.13 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 45 L 8.19 4.46 0.00 1.58 1.67 0.94 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 46 E 9.16 4.80 0.00 2.01 1.86 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 2.26 2.43 0.00 47 W 9.11 4.69 0.00 3.21 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 48 I 8.30 3.92 1.97 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.74 0.76 0.00 0.00 49 G 6.51 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 0.00 0.00 0.00 50 A 8.80 5.83 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 0.00 0.00 0.00 0.00 0.00 51 I 9.33 4.86 2.07 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.79 1.13 0.00 0.00 52 Y 8.29 3.96 0.00 1.43 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *521 P 0.00 4.03 0.00 1.26 1.30 0.00 3.21 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 1.66 0.00 * Residues marked with a * may have inaccurate shift predictions.