NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 3.9817 8.3393 109.7458 44.4903 0.0000 176.5654 4 P 4.2233 0.0000 0.0000 62.6461 32.9848 174.9290 5 N 5.5531 9.3148 120.1761 52.2259 41.1515 174.7813 6 Y 5.0470 8.4192 118.1046 56.4507 42.6694 175.0961 7 V 5.0480 8.2757 121.2501 59.2979 34.9401 173.9489 *9 H 4.7410 8.5484 116.4557 56.3634 29.9548 173.8764 10 T 4.8263 8.5047 114.3963 60.8807 70.5027 174.2303 11 N 4.9208 8.8452 117.3163 52.6181 39.1093 175.5928 12 D 4.8275 7.5453 118.1472 53.1346 39.9172 175.8547 13 G 3.9168 8.5348 104.6394 47.7327 0.0000 174.1100 14 R 4.7233 7.9287 117.4540 54.1118 33.7258 175.7217 15 S 4.8452 8.5760 116.8186 57.0118 65.2779 172.9662 16 I 4.2949 8.0079 125.9777 59.5739 38.9395 174.9338 17 V 4.6280 8.3926 127.6800 61.9324 32.5848 175.0398 18 T 4.8912 9.3250 118.0411 60.1327 72.1739 173.0238 19 D 5.0248 8.6010 123.5279 55.1485 41.4627 176.6066 20 G 4.0637 8.7631 111.1816 44.5721 0.0000 171.3478 21 K 3.4685 8.1643 120.2228 54.8516 32.6820 174.9841 22 P 4.8062 0.0000 0.0000 63.1078 32.3933 175.2640 23 Q 4.6309 8.7988 117.8179 55.0056 32.2947 173.9812 24 T 4.2003 8.4294 117.8239 63.7005 69.4344 173.7579 25 D 4.4499 8.7233 126.0841 54.0454 41.9049 176.8320 26 N 4.4725 8.7695 123.7269 55.8267 39.0247 175.8516 27 D 4.6050 8.6223 117.9642 55.8569 41.5466 177.4559 28 T 4.2406 8.1784 106.4380 60.8276 70.8614 173.6610 29 G 3.3953 7.5769 108.7354 45.5061 0.0000 173.3283 *31 I 4.0135 7.1329 117.5712 60.9918 40.1423 174.9568 32 S 5.2780 9.2457 124.7940 57.5910 64.2016 172.2476 33 Y 5.1957 8.4793 122.7433 55.8781 41.7734 173.3244 34 K 4.9674 8.7058 120.2677 54.9173 34.8343 176.6193 35 D 5.0015 8.6551 124.4823 52.0916 41.1310 176.8534 36 A 4.0444 8.5283 120.9157 54.9574 18.3056 177.9985 37 N 4.6099 8.3965 111.3282 53.0257 38.8309 175.9719 38 G 3.9175 8.2361 106.5633 45.5365 0.0000 173.1467 39 N 4.7779 8.2655 117.8040 51.7415 40.3785 174.6154 40 K 4.5520 8.5510 123.1870 56.4166 32.9429 176.3954 41 Q 4.5654 8.8799 124.0456 53.9805 32.5255 174.4643 42 Q 5.1596 8.2599 117.9498 54.3924 32.4330 174.8898 43 I 4.7487 8.7566 122.7059 58.9184 41.5701 174.4272 44 N 4.4532 8.7860 127.1436 53.2982 39.6557 175.6085 45 R 3.8876 8.8013 125.5042 59.7963 30.3601 178.4564 46 T 3.7952 8.4066 114.1110 66.2186 68.6599 174.2500 47 D 4.5477 8.3893 119.5979 53.8307 41.2900 175.2603 48 V 4.4679 7.6521 118.5831 61.4312 32.2461 175.2606 49 K 4.1316 8.9200 130.0334 59.0673 32.3887 175.8074 50 E 4.6329 7.4811 113.0828 55.4224 32.0209 174.2680 *52 V 4.1146 8.3401 117.0744 61.8100 33.0824 174.9148 53 A 3.7256 8.3836 123.6199 51.9925 18.9653 178.2992 54 L 4.3915 8.0007 122.2824 54.1305 43.6071 177.2565 55 E 4.1093 8.6220 120.0580 57.7124 29.4511 176.5607 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 3 G 8.34 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.22 0.00 2.08 2.17 0.00 3.76 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.14 0.00 5 N 9.31 5.55 0.00 2.63 2.83 0.00 0.00 7.37 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 Y 8.42 5.05 0.00 2.77 2.78 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 7 V 8.28 5.05 2.04 0.00 0.00 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 0.78 0.00 0.00 *9 H 8.55 4.74 0.00 3.20 3.33 0.00 5.80 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 T 8.50 4.83 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 11 N 8.85 4.92 0.00 2.80 2.87 0.00 0.00 6.78 7.64 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 12 D 7.55 4.83 0.00 2.71 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.53 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 14 R 7.93 4.72 0.00 1.76 1.80 0.00 3.08 0.00 0.00 3.18 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.66 0.00 15 S 8.58 4.85 0.00 3.70 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 16 I 8.01 4.29 1.62 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.37 0.73 0.00 0.00 17 V 8.39 4.63 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 0.82 0.00 0.00 0.92 0.00 0.00 18 T 9.32 4.89 4.38 0.00 0.00 0.00 0.00 0.00 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 19 D 8.60 5.02 0.00 2.71 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 G 8.76 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 0.00 0.00 0.00 0.00 21 K 8.16 3.47 0.00 1.58 1.60 0.00 1.71 0.00 0.00 1.60 0.00 0.00 2.69 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.05 0.45 7.81 22 P 0.00 4.81 0.00 1.87 2.06 0.00 3.24 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.06 0.00 23 Q 8.80 4.63 0.00 2.06 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.99 0.00 0.00 0.00 0.00 0.00 2.23 2.33 0.00 24 T 8.43 4.20 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 1.21 0.00 0.00 25 D 8.72 4.45 0.00 2.67 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.77 4.47 0.00 2.75 2.86 0.00 0.00 7.05 8.06 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 27 D 8.62 4.60 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 28 T 8.18 4.24 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 1.25 0.00 0.00 29 G 7.58 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *31 I 7.13 4.01 1.88 0.00 0.00 0.98 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 1.60 1.00 0.00 0.00 32 S 9.25 5.28 0.00 3.88 3.81 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 0.00 0.00 0.00 33 Y 8.48 5.20 0.00 3.08 2.94 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 0.00 0.00 0.00 34 K 8.71 4.97 0.00 1.94 1.76 0.00 1.82 0.00 0.00 1.86 0.00 0.00 2.90 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.41 1.41 7.81 35 D 8.66 5.00 0.00 2.98 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 36 A 8.53 4.04 1.33 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 0.00 0.00 37 N 8.40 4.61 0.00 2.82 2.85 0.00 0.00 6.99 7.65 0.00 0.00 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 G 8.24 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 39 N 8.27 4.78 0.00 2.82 2.68 0.00 0.00 7.03 6.99 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 40 K 8.55 4.55 0.00 1.56 1.66 0.00 1.66 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.42 7.81 41 Q 8.88 4.57 0.00 0.93 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.77 0.00 0.00 0.00 0.00 0.00 2.05 2.20 0.00 42 Q 8.26 5.16 0.00 1.86 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.85 6.72 0.00 0.00 0.00 0.00 0.00 2.21 2.25 0.00 43 I 8.76 4.75 2.09 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 1.14 0.93 1.01 0.00 0.00 44 N 8.79 4.45 0.00 2.78 2.69 0.00 0.00 6.79 7.65 0.00 0.00 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 R 8.80 3.89 0.00 1.88 1.92 0.00 3.24 0.00 0.00 3.33 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.66 0.00 46 T 8.41 3.80 4.31 0.00 0.00 0.00 0.00 0.00 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 47 D 8.39 4.55 0.00 2.74 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 V 7.65 4.47 2.15 0.00 0.00 0.00 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 0.89 0.00 0.00 49 K 8.92 4.13 0.00 1.74 2.00 0.00 1.74 0.00 0.00 1.76 0.00 0.00 3.14 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.45 1.42 7.81 50 E 7.48 4.63 0.00 2.00 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 2.20 2.41 0.00 *52 V 8.34 4.11 2.13 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 0.91 0.00 0.00 0.93 0.00 0.00 53 A 8.38 3.73 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 L 8.00 4.39 0.00 1.52 1.57 0.90 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 55 E 8.62 4.11 0.00 1.93 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 2.29 2.27 0.00 * Residues marked with a * may have inaccurate shift predictions.