NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 E 4.2383 8.2985 121.4703 55.9280 31.5936 177.3774 13 A 3.8816 8.1466 120.7720 53.1429 18.7341 177.4013 14 R 4.0010 8.1001 113.2070 59.0275 30.6647 175.5451 15 K 3.8788 7.8235 118.5338 57.7232 32.7055 174.1182 16 L 4.4834 9.0633 130.6604 55.9798 40.3240 175.8337 17 S 4.0896 8.8046 112.8439 60.7371 61.8623 174.5326 18 P 4.2130 0.0000 0.0000 65.8074 31.2997 178.6708 19 V 3.5607 7.6795 116.6969 66.3646 31.4933 177.4627 20 E 3.9720 8.5657 118.5165 59.4583 29.3158 179.2539 21 L 3.8986 8.7039 119.3495 57.9752 41.6936 178.8440 22 E 3.8801 10.1422 119.0510 59.1854 29.4601 178.4333 23 K 3.7724 8.3469 119.1759 59.8249 32.1960 177.9981 24 L 3.9210 8.6214 120.7448 58.5357 41.9093 179.1890 25 V 3.6036 8.2489 118.8878 65.2536 31.3784 178.5682 26 R 4.1057 8.5534 118.9064 58.5987 29.6940 178.9518 27 E 4.0362 8.6058 119.1140 59.4785 29.3806 179.1659 28 K 3.7676 8.5973 118.3257 60.5050 32.3082 178.3625 29 K 3.8343 8.5548 119.6101 58.9515 31.5740 179.1435 30 R 3.8436 7.7867 118.0285 59.5310 29.6208 178.0338 31 E 4.1101 8.7423 119.8635 57.5443 29.8851 178.0419 32 L 4.4755 8.2961 121.5955 53.5241 41.6089 180.8730 33 M 2.8792 9.7239 116.1838 55.1829 31.7731 178.7224 34 E 3.8438 8.9734 130.7780 57.4895 29.3993 176.0983 35 L 4.1584 8.3865 130.1317 55.8286 40.8278 177.3831 36 R 4.6431 9.8471 112.1347 56.4599 30.8282 177.0829 37 F 4.7255 7.6530 117.5562 57.0784 40.1972 173.0740 38 Q 4.0524 8.0491 122.9175 57.6858 30.0295 177.0246 39 A 4.3285 7.1120 123.5178 50.3725 17.1552 176.9971 40 S 4.5950 7.4464 117.3994 62.0033 63.5023 176.8864 41 I 3.6733 7.9372 121.4481 62.8174 37.4584 180.9091 42 G 3.8894 6.2022 108.5569 47.2896 0.0000 175.3317 43 Q 4.7135 8.3291 117.3319 54.6517 29.3985 176.4032 44 L 4.5928 8.9997 122.8545 56.2233 44.6409 177.5938 45 S 4.5281 7.9351 115.2898 57.7213 61.5181 172.9315 46 Q 4.3095 7.6067 125.7898 57.9223 30.3350 177.1694 47 N 4.3867 7.9987 114.3421 56.2751 37.4207 174.9587 48 H 4.7631 8.1890 115.9271 55.6388 31.4487 174.2450 49 K 3.9938 8.8594 126.0692 56.1332 37.4727 176.2426 50 I 3.5635 8.5569 134.3243 64.2265 37.5479 173.3280 51 R 3.9745 7.8741 127.0936 58.0948 30.8909 173.5981 52 D 4.7134 8.9047 130.1058 53.2844 39.8250 174.2247 53 L 3.8723 6.1426 115.5397 56.8407 43.1555 176.9544 54 K 3.7940 8.6630 123.8779 57.7130 29.6743 175.2883 55 R 4.5421 9.2019 115.9356 56.4503 30.3780 177.2344 56 Q 4.2973 7.7158 116.5185 53.9528 27.1918 174.2814 57 I 3.8934 7.4153 117.7743 59.7480 38.6109 174.9256 58 A 4.1562 8.4472 131.8882 51.3044 18.6734 177.0298 59 R 4.0123 8.4614 122.6699 56.0551 29.0438 176.1561 60 L 3.9562 8.2245 124.8306 56.0371 42.9002 176.7454 61 L 3.4543 8.4023 126.2254 56.8224 38.9960 175.3553 *62 T 4.1515 7.8567 114.3158 61.1289 69.1019 175.8151 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 12 E 8.30 4.24 0.00 1.98 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 0.00 2.27 2.26 0.00 13 A 8.15 3.88 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 14 R 8.10 4.00 0.00 1.97 2.20 0.00 2.97 0.00 0.00 3.09 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.71 0.00 15 K 7.82 3.88 0.00 1.73 1.79 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.43 1.46 7.81 16 L 9.06 4.48 0.00 1.81 2.24 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 17 S 8.80 4.09 0.00 3.90 3.89 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 0.00 0.00 0.00 18 P 0.00 4.21 0.00 2.20 2.07 0.00 3.67 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.13 0.00 19 V 7.68 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 1.07 0.00 0.00 0.96 0.00 0.00 20 E 8.57 3.97 0.00 2.22 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 2.33 2.59 0.00 21 L 8.70 3.90 0.00 1.65 1.74 0.93 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 22 E 10.14 3.88 0.00 2.23 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 2.31 2.37 0.00 23 K 8.35 3.77 0.00 1.86 1.98 0.00 1.72 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.48 7.81 24 L 8.62 3.92 0.00 2.00 1.73 0.94 1.16 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 25 V 8.25 3.60 2.25 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 1.01 0.00 0.00 0.91 0.00 0.00 26 R 8.55 4.11 0.00 1.90 2.01 0.00 3.27 0.00 0.00 3.25 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.81 0.00 27 E 8.61 4.04 0.00 2.32 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 2.35 2.48 0.00 28 K 8.60 3.77 0.00 1.69 1.83 0.00 1.80 0.00 0.00 1.97 0.00 0.00 3.22 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.88 2.13 7.81 29 K 8.55 3.83 0.00 1.92 1.68 0.00 1.63 0.00 0.00 1.65 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.36 1.50 7.81 30 R 7.79 3.84 0.00 2.03 2.06 0.00 3.29 0.00 0.00 3.22 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.79 0.00 31 E 8.74 4.11 0.00 2.19 2.40 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 2.67 2.76 0.00 32 L 8.30 4.48 0.00 0.92 0.70 0.97 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 33 M 9.72 2.88 0.00 2.09 1.43 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.54 0.00 34 E 8.97 3.84 0.00 2.12 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 2.39 2.29 0.00 35 L 8.39 4.16 0.00 1.81 1.86 0.94 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 36 R 9.85 4.64 0.00 2.17 2.00 0.00 3.44 0.00 0.00 3.17 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.71 0.00 37 F 7.65 4.73 0.00 3.21 2.87 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 38 Q 8.05 4.05 0.00 2.01 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.35 0.00 0.00 0.00 0.00 0.00 2.36 2.33 0.00 39 A 7.11 4.33 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.45 4.60 0.00 4.11 4.10 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 41 I 7.94 3.67 1.91 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 1.12 0.95 0.00 0.00 42 G 6.20 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 43 Q 8.33 4.71 0.00 2.17 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.69 0.00 0.00 0.00 0.00 0.00 2.30 2.20 0.00 44 L 9.00 4.59 0.00 1.73 1.63 0.88 0.44 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 45 S 7.94 4.53 0.00 3.98 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 46 Q 7.61 4.31 0.00 2.11 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 6.68 0.00 0.00 0.00 0.00 0.00 2.56 2.35 0.00 47 N 8.00 4.39 0.00 2.88 2.97 0.00 0.00 6.36 7.90 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 48 H 8.19 4.76 0.00 3.10 3.38 0.00 5.80 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 K 8.86 3.99 0.00 1.93 1.33 0.00 1.74 0.00 0.00 1.57 0.00 0.00 2.84 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.12 1.35 7.81 50 I 8.56 3.56 1.88 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 1.30 0.93 0.92 0.00 0.00 51 R 7.87 3.97 0.00 1.95 2.33 0.00 3.43 0.00 0.00 3.27 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.87 0.00 52 D 8.90 4.71 0.00 2.84 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 53 L 6.14 3.87 0.00 1.77 1.66 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 54 K 8.66 3.79 0.00 1.92 1.86 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.35 1.40 7.81 55 R 9.20 4.54 0.00 1.83 1.99 0.00 3.25 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.57 0.00 56 Q 7.72 4.30 0.00 2.08 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.77 0.00 0.00 0.00 0.00 0.00 2.58 2.27 0.00 57 I 7.42 3.89 1.87 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 1.35 0.63 0.91 0.00 0.00 58 A 8.45 4.16 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 59 R 8.46 4.01 0.00 1.79 1.94 0.00 3.27 0.00 0.00 3.15 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 60 L 8.22 3.96 0.00 1.58 1.57 0.92 1.05 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 61 L 8.40 3.45 0.00 1.83 1.72 0.92 0.84 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 *62 T 7.86 4.15 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 1.21 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.