NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 E 4.2144 8.2985 121.4701 56.1228 31.5144 177.0245 13 A 4.1354 8.0021 118.8655 51.7888 18.1086 176.3516 14 R 3.8128 7.6016 116.4999 59.6536 31.2607 174.3174 15 K 4.2846 8.0005 116.6362 58.1227 33.8015 176.0404 16 L 4.3106 8.9580 125.1722 56.1566 40.3881 175.8942 17 S 4.1567 8.2845 112.2919 60.6845 61.5736 174.4549 18 P 4.1817 0.0000 0.0000 65.5073 31.0181 178.3387 19 V 3.8898 7.8956 115.3299 67.1377 31.3882 177.0053 20 E 4.0331 8.3262 118.0934 58.8499 29.2103 178.8972 21 L 3.9613 9.0453 120.4446 57.7997 41.9515 179.6189 22 E 3.9002 9.4643 120.0473 59.0255 29.3778 178.6078 23 K 3.8789 7.9911 118.7546 59.3698 32.4628 177.8962 24 L 4.0947 7.9408 120.2954 58.3339 41.9389 179.0806 25 V 3.6430 8.1997 119.0726 64.9170 30.9686 178.0585 26 R 4.1572 8.0934 116.8310 55.7149 30.6596 176.4374 27 E 4.7334 7.8252 118.8844 56.5059 35.6874 177.1207 28 K 3.9738 8.4004 118.7503 59.0691 31.3518 179.4997 29 K 3.8141 7.9885 119.2072 59.4222 31.8428 179.5404 30 R 3.9343 7.8272 114.5187 59.0730 29.4365 177.5288 31 E 4.1155 7.9629 119.3502 57.5188 29.8038 178.7293 32 L 3.9958 8.2281 117.9417 54.6000 42.1762 179.9241 33 M 3.0041 5.8600 112.9666 54.9786 34.0996 179.7978 34 E 3.9092 9.1341 134.6927 57.6016 29.2986 173.7342 35 L 4.2275 8.2662 127.6695 55.5306 40.0917 176.6649 36 R 4.7132 9.0669 124.0946 56.6981 31.4451 175.4506 37 F 4.6521 7.9339 118.1183 55.4357 39.4425 173.7035 38 Q 3.9900 8.0842 123.2329 58.3328 29.1908 177.6591 39 A 4.1963 7.0002 121.6639 51.3202 16.9446 177.7038 40 S 4.3186 7.3382 113.2846 62.8841 64.4405 177.8434 41 I 3.6089 8.7534 119.5633 61.7515 38.3483 181.3886 42 G 3.2933 8.8152 108.4380 45.5316 0.0000 176.8097 43 Q 4.1849 5.7400 125.9079 58.8410 29.8279 178.9901 44 L 3.8434 9.4573 119.6266 58.3143 42.2343 178.3040 45 S 4.2849 8.1021 111.3516 59.5466 62.8242 175.5216 46 Q 4.0304 7.8399 123.1741 59.2933 28.7753 178.1606 47 N 5.1623 8.3155 113.8129 55.4879 37.0497 175.7483 48 H 4.7336 8.7650 117.2130 55.7044 30.8538 174.4562 49 K 4.0897 8.8734 125.2940 55.8967 38.7973 177.3485 50 I 3.4900 8.6380 125.2731 64.0298 38.5537 175.2057 51 R 3.8249 8.3906 124.2467 55.1171 27.9112 175.7969 52 D 4.9899 7.8380 124.4567 54.9806 42.4120 176.7292 53 L 4.3609 5.6200 117.0230 56.0170 43.2640 176.6620 54 K 4.0719 9.4522 123.4945 57.2692 28.8220 176.9037 55 R 4.4575 8.1035 114.5487 56.3581 33.0724 174.7116 56 Q 4.2289 7.9678 116.3233 55.6296 28.2164 174.2287 57 I 4.2036 8.0624 123.9772 59.2050 38.6737 174.7366 58 A 3.9127 8.5563 130.8572 52.4232 17.7398 177.4038 59 R 4.0830 8.2717 123.0644 56.3319 28.3693 175.9545 60 L 4.0109 8.1200 125.1601 55.7323 42.6433 176.0538 61 L 3.5210 8.4358 122.1570 56.7131 39.3663 175.6351 *62 T 4.1515 7.9933 115.3083 61.1307 69.1019 176.3618 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 4.21 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 8.00 4.14 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 14 R 7.60 3.81 0.00 1.85 1.89 0.00 3.19 0.00 0.00 3.39 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.65 0.00 15 K 8.00 4.28 0.00 1.92 1.93 0.00 1.33 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.63 1.38 7.81 16 L 8.96 4.31 0.00 1.80 2.24 0.92 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 17 S 8.28 4.16 0.00 3.95 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 18 P 0.00 4.18 0.00 2.19 2.14 0.00 3.67 0.00 0.00 3.84 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 7.90 3.89 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 0.87 0.00 0.00 0.93 0.00 0.00 20 E 8.33 4.03 0.00 2.24 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 2.33 2.54 0.00 21 L 9.05 3.96 0.00 1.64 1.74 0.95 0.96 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 22 E 9.46 3.90 0.00 2.26 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 2.30 2.35 0.00 23 K 7.99 3.88 0.00 1.77 2.03 0.00 1.88 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.45 7.81 24 L 7.94 4.09 0.00 1.80 1.84 0.94 0.93 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 25 V 8.20 3.64 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 0.78 0.00 0.00 0.90 0.00 0.00 26 R 8.09 4.16 0.00 1.95 1.97 0.00 3.19 0.00 0.00 3.14 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 27 E 7.83 4.73 0.00 2.08 2.11 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 2.29 2.33 0.00 28 K 8.40 3.97 0.00 2.02 1.61 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.25 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.45 1.63 7.81 29 K 7.99 3.81 0.00 1.76 1.79 0.00 1.63 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.37 7.81 30 R 7.83 3.93 0.00 1.96 2.06 0.00 3.20 0.00 0.00 3.33 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.62 0.00 31 E 7.96 4.12 0.00 2.25 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 0.00 2.90 2.79 0.00 32 L 8.23 4.00 0.00 1.38 1.31 0.98 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 33 M 5.86 3.00 0.00 2.14 1.49 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.50 0.00 34 E 9.13 3.91 0.00 2.12 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 2.39 2.28 0.00 35 L 8.27 4.23 0.00 1.80 1.83 0.93 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 36 R 9.07 4.71 0.00 2.04 2.02 0.00 3.40 0.00 0.00 3.18 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.71 0.00 37 F 7.93 4.65 0.00 3.06 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 38 Q 8.08 3.99 0.00 1.92 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.50 0.00 0.00 0.00 0.00 0.00 2.31 2.27 0.00 39 A 7.00 4.20 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 S 7.34 4.32 0.00 4.10 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 41 I 8.75 3.61 1.90 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 1.37 1.10 0.92 0.00 0.00 42 G 8.82 3.29 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 0.00 0.00 0.00 0.00 43 Q 5.74 4.18 0.00 2.74 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.48 6.78 0.00 0.00 0.00 0.00 0.00 2.44 2.34 0.00 44 L 9.46 3.84 0.00 1.78 1.65 0.82 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 45 S 8.10 4.28 0.00 3.91 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 46 Q 7.84 4.03 0.00 2.13 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.92 0.00 0.00 0.00 0.00 0.00 2.41 2.51 0.00 47 N 8.32 5.16 0.00 2.94 3.09 0.00 0.00 6.38 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 8.77 4.73 0.00 3.04 3.58 0.00 5.79 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 8.87 4.09 0.00 1.88 1.44 0.00 1.82 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.32 1.46 7.81 50 I 8.64 3.49 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.93 0.92 0.00 0.00 51 R 8.39 3.82 0.00 1.93 2.12 0.00 3.55 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 1.51 1.58 0.00 52 D 7.84 4.99 0.00 2.84 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 53 L 5.62 4.36 0.00 1.67 1.64 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 54 K 9.45 4.07 0.00 1.97 1.95 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.32 1.41 7.81 55 R 8.10 4.46 0.00 1.72 1.97 0.00 3.24 0.00 0.00 3.27 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 56 Q 7.97 4.23 0.00 2.23 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 6.78 0.00 0.00 0.00 0.00 0.00 2.37 2.27 0.00 57 I 8.06 4.20 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 0.80 0.91 0.00 0.00 58 A 8.56 3.91 1.26 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 0.00 0.00 0.00 59 R 8.27 4.08 0.00 1.76 1.89 0.00 3.31 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 60 L 8.12 4.01 0.00 1.62 1.57 0.92 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 61 L 8.44 3.52 0.00 1.81 1.72 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 *62 T 7.99 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.