NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 S 4.4778 8.3344 116.8050 58.3482 64.8110 173.0014 8 D 4.8840 7.9935 119.9894 51.4966 43.1847 173.9001 9 F 5.5026 8.8270 117.6672 55.3033 42.0274 173.5085 10 V 4.6655 9.1519 112.5642 59.6218 35.2983 174.8116 11 V 4.7270 8.6576 124.3077 61.4602 33.6524 174.5008 12 I 4.9851 8.9777 128.6654 59.4521 40.6642 174.0984 13 K 5.0560 9.2774 129.2013 54.3946 34.6055 174.8618 14 A 4.5713 8.8133 130.0421 52.0093 19.1483 177.5909 15 L 4.6924 9.2389 122.6560 55.0229 42.7812 175.7456 16 E 4.8028 7.7940 115.5043 54.5268 33.1839 174.6817 17 D 4.6066 8.7315 119.2689 54.9327 41.5461 176.0581 18 G 3.8672 8.3617 106.9544 46.7380 0.0000 174.4320 19 V 3.9593 7.8033 119.2307 62.3279 33.2634 174.1876 20 N 5.1762 9.3078 126.0376 51.9484 41.4123 173.3318 21 V 4.5101 8.6378 127.7749 61.5723 33.0012 173.9796 22 I 4.3194 8.7242 130.3651 59.5592 38.9704 175.2327 23 G 4.2976 9.4220 116.1919 45.1108 0.0000 172.5173 24 L 5.1369 8.9304 124.5291 53.2215 44.6239 177.5598 25 T 4.5353 8.4811 110.4174 62.5676 69.8288 175.9016 *32 F 4.5615 7.9135 118.9009 57.0522 40.4635 175.4344 33 H 4.3358 8.5377 118.7128 58.0139 28.7216 174.4135 34 H 4.6688 7.9852 119.8782 54.2779 31.9398 172.4613 35 S 4.7508 8.4470 120.2788 57.1303 64.5266 173.2813 36 E 4.4354 8.3271 126.6723 55.6129 32.4652 174.8763 37 K 4.7977 8.6475 131.0003 54.8571 33.1674 172.7195 38 L 4.9768 8.9820 123.2361 52.6823 45.4505 175.5588 39 D 5.1489 10.1476 123.6961 51.9179 43.8302 175.7886 40 K 3.9877 8.6971 122.1413 59.0181 32.1562 176.9270 41 G 4.0201 9.2235 115.9646 45.0360 0.0000 173.2337 42 E 4.2997 8.3001 119.8299 56.1840 30.9244 175.9507 43 V 4.9238 8.2562 121.5371 61.0308 34.4210 174.1953 44 L 4.6796 9.1447 129.8069 53.3212 44.7043 174.9766 45 I 4.8296 8.4534 126.7923 59.8834 38.4808 174.3836 46 A 4.6234 8.8883 130.2517 50.1668 20.8806 175.3082 47 Q 4.9757 8.4708 123.5490 54.3166 31.5030 174.8515 48 F 4.4925 8.7074 124.3114 57.5242 39.6255 175.8466 49 T 4.5758 8.4625 114.6859 59.7445 71.1530 174.3468 50 E 4.1513 8.7748 118.6712 59.8472 29.6985 177.8340 51 H 4.0431 8.5274 116.6140 57.8798 28.8606 174.3100 52 T 4.9445 7.5724 115.4173 61.7867 69.0184 173.9112 53 S 4.5267 8.8857 122.4914 60.4720 63.9306 174.5544 54 A 5.1314 8.0485 120.2911 49.7784 22.9914 174.7626 55 I 4.8937 8.4705 119.1577 59.4165 40.5375 174.8167 56 K 4.5322 9.0800 128.8365 54.5635 34.5869 174.9050 57 V 4.7784 8.5048 128.9013 61.8946 33.6861 175.1433 58 R 4.5372 9.2322 129.2659 55.2805 31.7340 171.6256 59 G 4.1981 8.8127 109.3806 42.0355 0.0000 173.1166 60 K 5.1211 9.2634 119.4166 55.3183 32.6755 176.5464 61 A 5.1381 8.6672 126.5567 50.4414 23.5033 173.6397 62 Y 4.9295 9.2411 121.6016 56.1131 40.9269 174.5428 63 I 4.9584 8.5358 127.4014 59.5260 40.8201 174.2724 64 Q 4.9377 9.0774 126.4658 54.2695 31.2738 174.9331 65 T 4.8633 8.5444 113.1236 59.1899 72.3235 174.7098 66 R 3.7067 8.5132 121.4467 59.5740 29.8246 176.3599 67 H 4.7136 7.5741 112.3033 55.4278 29.0769 173.9772 68 G 3.7299 8.0310 106.9774 44.1777 0.0000 173.4332 69 V 4.5631 7.8179 111.2543 60.4990 33.7272 175.4732 70 I 4.4445 8.1338 120.9497 60.0624 41.8939 172.5774 71 E 5.2487 8.7350 127.9956 54.3659 31.9832 174.9871 72 S 4.6700 9.0192 122.2108 57.2014 65.1960 174.3857 73 E 4.2809 8.6885 122.0189 56.4848 29.6532 175.7428 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 7 S 8.33 4.48 0.00 3.92 4.02 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 0.00 0.00 0.00 0.00 8 D 7.99 4.88 0.00 2.81 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.83 5.50 0.00 3.13 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 10 V 9.15 4.67 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 0.72 0.00 0.00 0.91 0.00 0.00 11 V 8.66 4.73 2.14 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 1.08 0.00 0.00 1.16 0.00 0.00 12 I 8.98 4.99 1.86 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.48 0.91 0.00 0.00 13 K 9.28 5.06 0.00 1.87 1.80 0.00 1.68 0.00 0.00 1.68 0.00 0.00 2.87 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.40 7.81 14 A 8.81 4.57 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 9.24 4.69 0.00 1.58 1.73 0.97 0.95 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 16 E 7.79 4.80 0.00 1.90 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.33 0.00 17 D 8.73 4.61 0.00 2.69 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.36 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 19 V 7.80 3.96 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 1.00 0.00 0.00 0.98 0.00 0.00 20 N 9.31 5.18 0.00 2.79 2.59 0.00 0.00 6.63 7.53 0.00 0.00 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 V 8.64 4.51 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 0.83 0.00 0.00 0.89 0.00 0.00 22 I 8.72 4.32 1.53 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.35 0.36 0.00 0.00 23 G 9.42 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 L 8.93 5.14 0.00 1.85 1.60 0.77 0.76 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 25 T 8.48 4.54 4.19 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 1.00 0.00 0.00 *32 F 7.91 4.56 0.00 3.03 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 33 H 8.54 4.34 0.00 3.30 3.50 0.00 5.66 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 H 7.99 4.67 0.00 2.79 3.03 0.00 5.76 0.00 0.00 0.00 0.00 6.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.45 4.75 0.00 3.85 3.68 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 0.00 0.00 0.00 0.00 36 E 8.33 4.44 0.00 1.96 1.74 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 2.15 2.26 0.00 37 K 8.65 4.80 0.00 1.58 1.57 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.64 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.35 1.04 7.81 38 L 8.98 4.98 0.00 1.50 1.53 0.91 0.91 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 39 D 10.15 5.15 0.00 2.76 2.65 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 0.00 0.00 0.00 0.00 40 K 8.70 3.99 0.00 1.75 1.90 0.00 1.98 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.43 7.81 41 G 9.22 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 E 8.30 4.30 0.00 2.09 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 0.00 2.32 2.25 0.00 43 V 8.26 4.92 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 0.79 0.00 0.00 0.96 0.00 0.00 44 L 9.14 4.68 0.00 1.71 1.45 0.89 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.45 4.83 1.71 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.90 0.60 0.00 0.00 46 A 8.89 4.62 1.11 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 47 Q 8.47 4.98 0.00 2.09 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.90 0.00 0.00 0.00 0.00 0.00 2.37 2.60 0.00 48 F 8.71 4.49 0.00 3.07 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 49 T 8.46 4.58 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 1.23 0.00 0.00 50 E 8.77 4.15 0.00 2.11 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 0.00 2.34 2.35 0.00 51 H 8.53 4.04 0.00 3.29 3.46 0.00 5.76 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 7.57 4.94 4.34 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 1.32 0.00 0.00 53 S 8.89 4.53 0.00 3.91 4.01 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 0.00 0.00 0.00 0.00 54 A 8.05 5.13 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 55 I 8.47 4.89 1.80 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.59 0.81 0.00 0.00 56 K 9.08 4.53 0.00 1.69 1.46 0.00 1.39 0.00 0.00 1.56 0.00 0.00 2.85 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.29 1.33 7.81 57 V 8.50 4.78 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 0.82 0.00 0.00 0.90 0.00 0.00 58 R 9.23 4.54 0.00 1.51 1.77 0.00 3.30 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.42 0.00 59 G 8.81 4.20 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 60 K 9.26 5.12 0.00 1.73 1.79 0.00 1.66 0.00 0.00 1.77 0.00 0.00 3.03 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.53 7.81 61 A 8.67 5.14 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 62 Y 9.24 4.93 0.00 2.97 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 I 8.54 4.96 1.86 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 1.19 0.54 0.87 0.00 0.00 64 Q 9.08 4.94 0.00 1.91 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.60 0.00 0.00 0.00 0.00 0.00 2.05 2.09 0.00 65 T 8.54 4.86 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 1.17 0.00 0.00 66 R 8.51 3.71 0.00 1.58 1.79 0.00 3.18 0.00 0.00 3.15 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.62 0.00 67 H 7.57 4.71 0.00 3.19 3.25 0.00 5.68 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 8.03 3.73 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 0.00 0.00 0.00 69 V 7.82 4.56 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.99 0.00 0.00 70 I 8.13 4.44 1.83 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.85 0.85 0.00 0.00 71 E 8.74 5.25 0.00 2.10 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 2.23 2.37 0.00 72 S 9.02 4.67 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 73 E 8.69 4.28 0.00 1.96 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.28 0.00 * Residues marked with a * may have inaccurate shift predictions.