NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4376 8.2893 120.3260 54.1315 33.6926 174.9069 2 P 4.1533 0.0000 0.0000 62.8977 32.1419 174.5493 3 R 4.4873 8.9086 123.3046 55.9749 32.3509 176.4217 4 L 4.8294 9.0291 123.7110 53.2426 44.8375 175.1310 5 K 4.6945 9.0579 129.4993 55.4286 33.4317 175.2985 6 V 4.6195 9.0354 128.1163 61.0494 34.7532 174.5869 7 K 5.4436 8.3611 127.1555 53.6086 35.4355 174.9594 8 L 4.2555 8.6581 130.8561 55.7514 42.5070 177.2380 9 V 4.4496 9.2065 119.2083 60.8002 33.7926 175.8901 10 K 4.4948 7.7670 120.9930 53.8072 34.7838 175.4587 11 S 4.1815 8.8284 120.8224 58.2330 62.8043 172.4132 12 P 4.3305 0.0000 0.0000 64.8138 31.6526 173.5867 13 I 3.9076 7.7299 121.2152 61.6877 36.3445 173.7382 14 G 3.2829 8.1361 113.8991 44.9532 0.0000 170.9481 15 Y 4.5718 8.4547 119.3974 55.3222 40.1913 174.2197 16 P 4.2697 0.0000 0.0000 62.9972 33.1031 177.2286 17 K 3.8742 8.8273 122.0443 59.8773 31.9851 178.5963 18 D 4.4930 8.2152 118.3619 57.1525 39.1876 178.4993 19 Q 3.8571 8.3039 119.5278 58.3458 28.6469 179.4612 20 K 4.0493 8.0593 119.1817 59.3745 32.3528 179.0349 21 A 4.0206 8.7822 121.5137 55.6193 17.8818 178.8202 22 A 3.9049 8.4543 119.1933 55.3449 18.6869 179.0640 23 L 4.0084 7.7779 114.5444 57.7676 41.8323 179.7370 24 K 3.8048 7.9975 118.8902 59.7980 31.8359 178.5683 25 A 4.0122 7.8404 119.3897 54.4219 18.2392 178.5342 26 L 4.5216 8.0781 115.7918 53.2477 42.4269 176.7005 27 G 3.9928 7.9959 106.7775 46.6709 0.0000 174.0152 28 L 4.9335 7.8868 117.4325 52.8385 43.5377 175.1660 29 R 4.2206 8.8939 123.1587 57.1377 31.9858 178.0418 30 R 4.1586 8.0221 120.7143 56.1391 31.6962 176.2095 31 L 4.2677 8.1737 119.2895 54.6082 42.5679 177.0487 32 Q 3.5357 8.3830 114.9328 56.8821 27.1790 173.7683 33 Q 4.4065 7.6153 119.2457 55.5682 30.3779 174.5269 34 E 5.2194 8.3726 124.1894 55.0006 32.9767 175.3568 35 R 4.4929 8.8132 120.0117 55.6524 34.3046 173.6933 36 V 4.9703 8.5083 119.3967 59.7210 33.9010 175.0310 37 L 4.8671 8.8576 124.1180 52.4632 46.5379 175.6534 38 E 4.1848 8.8163 120.3575 56.7546 29.7955 176.0693 39 D 4.6648 8.5487 126.6487 54.8133 40.5426 175.5889 40 T 4.7127 7.9879 113.3894 58.0712 71.9483 172.8703 41 P 3.9348 0.0000 0.0000 65.6614 30.8859 178.1140 42 A 3.9770 7.9967 118.6621 55.7157 18.4635 179.7507 43 I 3.5690 7.2499 117.0619 64.6703 37.2932 178.3357 44 R 3.9490 8.7212 119.1431 60.5631 29.9485 178.8273 45 G 3.8337 8.6406 103.1661 48.5014 0.0000 175.1263 46 N 4.2804 8.1580 118.1409 55.6044 38.7530 177.5457 47 V 3.5590 7.8725 118.4379 66.5411 31.7735 177.6488 48 E 4.0863 8.9696 118.3261 59.2123 29.0712 178.4424 49 K 3.7230 7.7991 118.4032 59.7065 33.0659 178.6233 50 V 3.8002 7.7009 111.8965 60.6207 31.3041 178.1520 51 A 3.9081 7.7758 123.8608 55.6064 18.5358 179.1102 52 H 4.1464 8.0564 110.4921 57.9116 28.6195 175.4427 53 L 4.5382 7.6091 119.0047 54.6289 43.9147 176.2433 54 V 4.8851 7.6829 117.0355 60.9637 34.9774 174.8100 55 R 4.5737 8.3411 123.3177 54.5284 31.7538 176.1904 56 V 3.8906 8.3420 124.1503 62.7853 33.1483 175.7314 57 E 4.4730 8.3873 125.7488 55.3919 31.9627 174.0847 58 V 4.0942 8.3878 127.5705 62.9222 32.2054 175.3393 59 V 4.2444 8.4730 130.0558 61.7812 33.9851 176.1288 *60 E 4.1603 8.5038 118.6607 56.1687 30.3181 176.5293 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 8.29 4.44 0.00 2.02 2.07 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 2.50 2.53 0.00 2 P 0.00 4.15 0.00 2.19 2.20 0.00 3.69 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.06 0.00 3 R 8.91 4.49 0.00 1.79 1.88 0.00 3.06 0.00 0.00 3.26 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.62 0.00 4 L 9.03 4.83 0.00 1.69 1.51 0.95 0.81 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 5 K 9.06 4.69 0.00 1.85 1.84 0.00 1.63 0.00 0.00 1.74 0.00 0.00 2.92 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.37 1.37 7.81 6 V 9.04 4.62 2.18 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 0.93 0.00 0.00 0.91 0.00 0.00 7 K 8.36 5.44 0.00 1.79 1.58 0.00 1.94 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.31 1.28 7.81 8 L 8.66 4.26 0.00 1.70 1.52 0.95 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 9 V 9.21 4.45 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 0.83 0.00 0.00 0.95 0.00 0.00 10 K 7.77 4.49 0.00 1.65 1.58 0.00 1.85 0.00 0.00 1.71 0.00 0.00 3.14 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.35 1.42 7.81 11 S 8.83 4.18 0.00 3.89 3.83 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 0.00 0.00 0.00 12 P 0.00 4.33 0.00 2.29 2.24 0.00 3.81 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.98 0.00 13 I 7.73 3.91 1.93 0.00 0.00 0.89 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 0.83 0.94 0.00 0.00 14 G 8.14 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 0.00 0.00 0.00 15 Y 8.45 4.57 0.00 2.97 2.95 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 16 P 0.00 4.27 0.00 2.25 2.06 0.00 3.84 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 2.18 2.24 0.00 17 K 8.83 3.87 0.00 1.77 1.91 0.00 1.72 0.00 0.00 1.89 0.00 0.00 3.04 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.56 1.50 7.81 18 D 8.22 4.49 0.00 2.88 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 19 Q 8.30 3.86 0.00 2.40 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.97 0.00 0.00 0.00 0.00 0.00 2.52 2.57 0.00 20 K 8.06 4.05 0.00 2.06 1.86 0.00 1.73 0.00 0.00 1.68 0.00 0.00 3.31 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.51 1.73 7.81 21 A 8.78 4.02 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.45 3.90 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 23 L 7.78 4.01 0.00 1.91 1.73 0.89 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 24 K 8.00 3.80 0.00 1.85 2.02 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.48 7.81 25 A 7.84 4.01 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.08 4.52 0.00 1.65 1.67 0.89 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 27 G 8.00 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 28 L 7.89 4.93 0.00 1.60 1.57 0.89 1.02 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 29 R 8.89 4.22 0.00 1.71 1.73 0.00 3.16 0.00 0.00 3.22 7.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.55 0.00 30 R 8.02 4.16 0.00 1.79 1.88 0.00 3.20 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 31 L 8.17 4.27 0.00 1.71 1.59 0.93 0.82 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 32 Q 8.38 3.54 0.00 2.17 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.79 0.00 0.00 0.00 0.00 0.00 2.30 2.41 0.00 33 Q 7.62 4.41 0.00 2.16 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.24 6.72 0.00 0.00 0.00 0.00 0.00 2.32 2.33 0.00 34 E 8.37 5.22 0.00 1.85 1.80 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 2.19 2.25 0.00 35 R 8.81 4.49 0.00 1.81 1.70 0.00 3.20 0.00 0.00 3.31 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.56 0.00 36 V 8.51 4.97 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 0.77 0.00 0.00 0.93 0.00 0.00 37 L 8.86 4.87 0.00 1.51 1.48 0.91 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 38 E 8.82 4.18 0.00 1.83 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 2.31 2.37 0.00 39 D 8.55 4.66 0.00 2.65 2.93 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 40 T 7.99 4.71 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 1.26 0.00 0.00 41 P 0.00 3.93 0.00 2.18 2.06 0.00 3.63 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.20 0.00 42 A 8.00 3.98 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.25 3.57 2.00 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 1.52 0.99 0.90 0.00 0.00 44 R 8.72 3.95 0.00 1.94 2.01 0.00 3.16 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 1.75 1.81 0.00 45 G 8.64 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 46 N 8.16 4.28 0.00 2.92 2.87 0.00 0.00 6.77 7.56 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 47 V 7.87 3.56 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 0.81 0.00 0.00 0.96 0.00 0.00 48 E 8.97 4.09 0.00 2.11 1.97 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 2.51 2.45 0.00 49 K 7.80 3.72 0.00 1.94 1.88 0.00 1.79 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.48 1.53 7.81 50 V 7.70 3.80 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 0.73 0.00 0.00 0.89 0.00 0.00 51 A 7.78 3.91 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 52 H 8.06 4.15 0.00 3.24 3.50 0.00 5.69 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 L 7.61 4.54 0.00 1.52 1.69 0.55 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 54 V 7.68 4.89 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 0.78 0.00 0.00 0.86 0.00 0.00 55 R 8.34 4.57 0.00 1.81 1.81 0.00 3.16 0.00 0.00 3.08 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.53 0.00 56 V 8.34 3.89 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 0.91 0.00 0.00 57 E 8.39 4.47 0.00 2.02 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 2.20 2.23 0.00 58 V 8.39 4.09 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 0.84 0.00 0.00 0.92 0.00 0.00 59 V 8.47 4.24 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 0.77 0.00 0.00 0.98 0.00 0.00 *60 E 8.50 4.16 0.00 1.77 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 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.