NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 Q 4.4452 8.2027 119.6409 55.8395 31.9023 174.3998 3 S 5.0216 7.8930 112.3336 55.2075 65.5593 171.8324 4 I 4.6970 8.4760 118.9091 59.4421 41.8123 173.2945 5 N 4.9824 8.8037 122.7348 53.2379 40.0239 175.8930 6 F 4.3666 8.9655 118.6280 59.8522 37.7261 178.1729 7 R 3.4105 7.5850 118.9389 59.1975 30.0947 178.7297 8 T 3.8704 7.7445 108.8236 64.5627 68.4194 176.4690 9 A 4.0219 7.8364 122.6887 54.8279 18.5507 179.3371 10 R 4.0805 7.5028 115.5123 59.5261 30.2787 179.3010 11 G 3.7234 7.8193 103.9657 46.4717 0.0000 173.7070 12 N 5.1113 7.9554 117.3089 52.2675 38.0968 175.9619 13 L 3.9760 7.9464 123.3436 58.2242 42.8805 178.8545 14 S 4.3943 8.0073 111.3334 61.0605 63.3494 175.1934 15 E 4.1389 7.7797 120.7426 58.9929 29.5790 179.7857 16 V 3.9885 7.4291 117.9700 62.9308 31.0146 177.3930 *18 N 4.6654 8.2672 117.5443 52.9661 40.7855 176.8276 19 N 4.2836 8.1157 115.2157 56.3068 38.5032 177.4118 20 V 3.8675 7.8452 120.9814 65.6052 31.4107 177.7529 21 E 3.9383 8.1296 116.6711 58.9506 29.5983 178.0942 22 A 4.1832 7.6616 120.3146 53.9444 18.5031 176.8783 23 G 3.3831 7.1751 109.3354 45.4550 0.0000 173.8297 24 E 4.2412 8.0860 121.5647 56.4805 31.0205 176.2532 25 E 4.8374 8.6077 120.4723 54.7905 32.2462 174.9527 26 V 4.1728 8.3429 125.1712 61.5205 32.9616 174.9129 27 E 4.6842 8.7493 128.9555 55.9642 31.5714 175.5384 28 I 5.0019 9.5422 125.9052 59.6979 40.3019 175.2105 29 T 4.5899 8.5600 117.6882 61.2767 70.4630 173.5644 30 R 4.4568 7.9919 121.2878 54.6942 33.1625 175.0411 31 R 3.7317 8.3925 121.9286 58.8769 30.6820 176.6502 32 G 4.1611 7.0737 104.4545 44.2505 0.0000 172.3555 33 R 3.7892 8.2509 116.2566 56.2200 28.1152 175.7816 34 E 4.3229 8.5393 119.1784 56.1406 30.5708 174.2358 35 P 4.9279 0.0000 0.0000 62.0159 33.2929 174.3903 36 A 4.8967 8.8894 120.7168 50.0602 22.7642 175.1097 37 V 4.9640 8.3884 118.7014 61.2022 34.4051 174.7657 38 I 4.6036 9.0323 128.5035 60.0170 39.3468 174.6174 39 A 5.1781 8.2317 126.3881 50.4042 22.8016 175.7730 40 S 4.2488 8.5888 113.4794 57.9077 64.1560 175.2545 41 K 3.8299 8.8893 124.0234 59.8547 31.8230 178.6031 42 A 3.9810 8.1255 120.4037 55.7872 18.1262 179.7026 43 T 3.5230 7.7821 113.6325 66.5302 68.5938 176.6693 44 F 3.9802 8.2850 122.7353 61.6451 39.2975 177.0976 45 E 4.1361 8.7782 118.1374 59.2812 29.2282 179.2422 46 A 3.9485 7.6557 120.9857 55.2392 18.4228 179.3962 47 Y 4.2237 7.7164 115.2336 61.1716 37.9693 178.3054 48 K 3.7146 8.2365 120.9717 59.4679 32.1691 178.6888 49 K 3.8991 8.4093 119.9321 59.2039 32.2261 178.6981 50 A 3.9259 8.1084 120.9592 55.0335 18.3925 179.3980 51 A 3.8348 7.9437 119.2382 55.2158 18.4456 179.7025 52 L 3.4842 7.6931 118.7690 58.2190 42.0060 178.7697 53 D 4.2602 8.4900 118.9151 57.2855 40.6870 178.7727 54 A 3.9772 7.7360 120.7777 54.8083 18.4486 179.1163 55 E 3.7838 7.8015 117.6616 59.5372 29.6316 179.2227 56 F 4.0684 7.7559 117.4856 60.2502 38.8075 177.4538 57 A 4.0867 7.6548 120.6283 55.3482 18.2462 179.9158 58 S 4.0839 8.0958 112.7430 61.2092 63.0493 176.4368 59 L 3.9380 7.6663 123.6338 58.0197 41.6303 178.9772 60 F 4.5724 8.2055 116.7452 60.7760 38.9324 176.8474 61 D 4.6198 8.2721 117.5959 58.0483 40.7543 178.9461 62 T 4.1191 7.9697 114.6547 65.4411 68.8197 175.1156 63 L 4.8374 7.7366 120.6827 54.1274 42.8966 178.4674 64 D 4.3763 8.3276 120.0332 57.3887 41.2350 176.9009 65 S 4.0451 7.9565 113.1606 61.8750 62.4842 176.2158 66 T 3.9409 7.8386 117.9172 66.5358 68.3250 176.3085 67 N 4.2626 8.2412 118.5358 56.3850 38.3087 177.5918 68 K 4.0038 7.8294 118.9331 59.1969 32.4557 178.8230 69 E 4.0579 8.1798 119.6653 59.3822 29.6828 178.9704 70 L 4.0465 8.1749 118.9601 57.3827 41.3318 179.3686 71 V 3.6275 7.0710 117.2187 65.8232 31.3149 176.0903 72 N 4.8347 7.6542 113.3224 53.3044 38.5306 175.3537 73 R 4.2088 7.9049 123.7540 56.4372 30.8311 175.4234 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 2 Q 8.20 4.45 0.00 2.01 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.77 0.00 0.00 0.00 0.00 0.00 2.36 2.33 0.00 3 S 7.89 5.02 0.00 3.92 3.69 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 4 I 8.48 4.70 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.37 0.92 0.00 0.00 5 N 8.80 4.98 0.00 2.89 2.75 0.00 0.00 6.78 7.71 0.00 0.00 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 F 8.97 4.37 0.00 3.44 3.38 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 0.00 7 R 7.59 3.41 0.00 1.66 1.77 0.00 3.02 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.94 0.00 8 T 7.74 3.87 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 1.19 0.00 0.00 9 A 7.84 4.02 1.38 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 0.00 0.00 0.00 10 R 7.50 4.08 0.00 1.84 1.91 0.00 2.92 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.60 0.00 11 G 7.82 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.96 5.11 0.00 2.87 2.73 0.00 0.00 6.61 6.15 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 13 L 7.95 3.98 0.00 1.87 1.65 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.01 4.39 0.00 4.01 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 15 E 7.78 4.14 0.00 2.29 2.03 0.00 0.00 0.00 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 2.23 0.00 16 V 7.43 3.99 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 1.04 0.00 0.00 0.97 0.00 0.00 *18 N 8.27 4.67 0.00 2.89 2.89 0.00 0.00 7.02 6.92 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 19 N 8.12 4.28 0.00 2.92 2.87 0.00 0.00 6.54 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 20 V 7.85 3.87 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 1.24 0.00 0.00 0.97 0.00 0.00 21 E 8.13 3.94 0.00 2.00 1.96 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 2.29 2.37 0.00 22 A 7.66 4.18 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 23 G 7.18 3.38 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 0.00 0.00 0.00 0.00 24 E 8.09 4.24 0.00 2.02 1.90 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 2.34 2.45 0.00 25 E 8.61 4.84 0.00 1.85 1.94 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 2.29 2.33 0.00 26 V 8.34 4.17 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 0.76 0.00 0.00 0.95 0.00 0.00 27 E 8.75 4.68 0.00 2.17 1.90 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 2.31 2.31 0.00 28 I 9.54 5.00 1.99 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.59 0.99 0.00 0.00 29 T 8.56 4.59 4.26 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 1.26 0.00 0.00 30 R 7.99 4.46 0.00 1.62 1.79 0.00 2.37 0.00 0.00 2.42 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.42 0.00 31 R 8.39 3.73 0.00 1.80 1.82 0.00 3.24 0.00 0.00 3.21 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.70 0.00 32 G 7.07 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 33 R 8.25 3.79 0.00 1.94 1.95 0.00 3.35 0.00 0.00 3.20 7.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.54 0.00 34 E 8.54 4.32 0.00 1.94 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 2.27 2.22 0.00 35 P 0.00 4.93 0.00 2.08 2.06 0.00 3.70 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 1.95 1.97 0.00 36 A 8.89 4.90 1.23 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 0.00 0.00 0.00 37 V 8.39 4.96 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 0.93 0.00 0.00 0.97 0.00 0.00 38 I 9.03 4.60 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.00 0.91 0.00 0.00 39 A 8.23 5.18 1.31 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 0.00 0.00 0.00 40 S 8.59 4.25 0.00 4.01 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 41 K 8.89 3.83 0.00 1.81 1.84 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.53 1.50 7.81 42 A 8.13 3.98 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 43 T 7.78 3.52 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 44 F 8.28 3.98 0.00 3.23 3.19 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 45 E 8.78 4.14 0.00 2.02 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 0.00 2.63 2.53 0.00 46 A 7.66 3.95 1.25 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 47 Y 7.72 4.22 0.00 2.91 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.24 3.71 0.00 1.50 1.88 0.00 1.82 0.00 0.00 1.76 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.38 1.37 7.81 49 K 8.41 3.90 0.00 1.92 1.94 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.58 1.44 7.81 50 A 8.11 3.93 1.39 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 0.00 0.00 51 A 7.94 3.83 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.69 3.48 0.00 1.69 1.56 0.58 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 53 D 8.49 4.26 0.00 2.82 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 54 A 7.74 3.98 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 E 7.80 3.78 0.00 2.04 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 2.25 2.29 0.00 56 F 7.76 4.07 0.00 2.99 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 0.00 0.00 0.00 0.00 57 A 7.65 4.09 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 58 S 8.10 4.08 0.00 4.07 4.12 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 59 L 7.67 3.94 0.00 1.82 1.68 0.94 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 60 F 8.21 4.57 0.00 3.17 2.97 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 61 D 8.27 4.62 0.00 2.86 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.97 4.12 4.41 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 1.23 0.00 0.00 63 L 7.74 4.84 0.00 1.71 1.65 0.97 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 64 D 8.33 4.38 0.00 3.07 2.68 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 65 S 7.96 4.05 0.00 3.93 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 0.00 66 T 7.84 3.94 4.25 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 1.21 0.00 0.00 67 N 8.24 4.26 0.00 2.91 2.75 0.00 0.00 7.00 7.17 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 68 K 7.83 4.00 0.00 1.93 1.85 0.00 1.70 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.44 1.54 7.81 69 E 8.18 4.06 0.00 2.16 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 0.00 2.30 2.34 0.00 70 L 8.17 4.05 0.00 1.69 1.68 0.91 0.95 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 71 V 7.07 3.63 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 0.80 0.00 0.00 0.95 0.00 0.00 72 N 7.65 4.83 0.00 2.86 2.80 0.00 0.00 6.84 8.19 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 73 R 7.90 4.21 0.00 1.83 1.76 0.00 3.35 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.66 0.00 * Residues marked with a * may have inaccurate shift predictions.