NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 35 F 4.7995 8.3201 115.9210 56.9604 38.6290 173.6064 36 A 4.4242 8.4764 122.7131 48.2583 21.4846 175.3317 37 C 4.2143 8.2609 117.2059 57.4862 33.0271 173.2420 38 V 3.5940 8.1202 122.4700 66.4989 30.9925 178.0892 39 E 3.8500 8.0269 117.9616 59.6742 29.4975 178.4170 40 C 4.2405 7.9128 117.4109 62.3248 28.1106 176.1259 41 R 4.0230 8.2095 119.7107 59.1885 29.4235 178.8822 42 Q 4.0462 7.9017 118.2368 59.2149 29.2853 177.6155 43 Q 4.2415 7.9153 115.2429 54.6764 29.6208 175.6391 44 K 3.8337 7.4893 118.8074 57.4208 30.4953 174.8390 45 S 4.7675 8.1625 114.5268 56.4421 65.5401 174.5204 46 K 3.9726 8.5059 123.1551 55.1179 31.8519 176.7899 47 C 4.7906 8.7141 125.7582 57.4496 33.6621 174.4095 48 D 4.9037 8.5318 126.1786 50.9106 40.7397 172.5810 49 A 4.2900 7.9834 129.8843 53.2606 19.6264 180.4517 *50 H 3.7826 8.2763 114.5629 54.9056 26.3767 175.1379 *56 P 4.2006 0.0000 0.0000 62.4860 32.0318 177.0371 57 C 4.4147 8.3173 117.0851 58.3251 30.2718 174.3567 58 T 3.6494 8.4650 116.6947 67.0729 68.4481 176.4790 59 K 3.8061 8.2707 119.7918 60.0509 32.2842 178.9234 60 C 4.0562 7.5506 115.2792 61.6130 27.8632 175.4763 61 A 4.1355 8.2549 126.7656 54.2148 18.7374 180.2446 62 K 3.2831 7.9588 120.9658 57.2301 31.9897 180.3767 63 K 4.3633 7.7340 115.9698 54.0322 33.7652 180.7800 64 N 4.1955 8.7112 114.8343 55.1878 37.1284 172.6586 65 V 4.4469 7.8687 111.4215 58.2959 36.2609 174.0826 66 P 4.2169 0.0000 0.0000 63.3825 30.2295 176.4580 67 C 4.2971 8.2761 127.2988 59.0496 30.0124 173.7192 68 I 4.1390 7.5163 121.8493 58.9764 36.3427 175.2594 69 L 5.1931 8.2855 123.6485 53.6282 41.8600 177.0047 70 K 4.5739 8.0557 127.4373 52.4704 31.0550 178.0701 71 R 3.4917 8.1420 123.0490 58.3323 29.7759 177.5145 72 D 4.9443 8.0626 113.4817 53.4884 39.7121 175.7341 73 F 4.7216 8.9168 122.8242 57.8122 40.2561 175.2822 74 R 3.9182 6.9702 124.8740 53.6244 32.9664 175.3344 75 R 4.2272 7.8075 119.5817 56.6085 29.8915 175.4474 76 T 4.6851 8.9467 115.6847 62.3659 70.6046 175.7658 77 Y 3.9651 8.6178 124.9650 56.6722 36.2202 176.0079 78 K 4.0055 7.2312 120.1758 59.2363 32.8204 177.7202 79 R 3.4612 8.3968 113.3709 59.9059 30.0994 178.0682 80 A 4.0054 8.4184 118.8308 56.1400 19.1073 178.8589 81 R 3.7904 8.4316 116.4312 60.3603 29.8919 177.9350 82 N 4.3288 9.1048 116.5919 56.4046 38.7178 177.4427 83 E 3.9396 8.2697 119.7959 59.3272 29.5819 178.7987 84 A 3.9933 8.1214 120.7838 55.5599 18.3704 179.1913 85 I 3.6086 7.8196 117.4608 65.1507 37.2878 177.9535 86 E 3.6929 8.7111 119.8898 59.2182 29.4441 179.1743 87 K 3.9465 8.2001 119.6225 59.6787 32.2598 179.0574 88 R 3.9593 8.6363 118.6925 59.1937 29.7402 178.7097 89 F 4.2529 9.0045 122.9133 61.8755 39.6508 177.6073 90 K 4.0854 8.3294 125.6185 60.6206 31.2269 181.0477 91 E 4.1834 8.1748 122.0505 61.6955 29.4391 181.8638 92 L 4.1861 7.5738 123.3383 59.6310 40.8150 181.4941 93 T 3.8747 7.7871 112.5228 65.1526 68.6255 176.8934 94 R 4.0559 7.6075 119.2294 58.1378 29.8687 180.1223 95 T 4.4583 8.1741 115.2562 66.2892 69.0013 183.1110 96 L 4.3082 7.6043 123.2877 59.5056 41.0439 181.1755 97 T 4.6873 8.0009 116.2255 64.0583 68.5841 175.9588 98 N 4.9699 7.6479 120.7719 51.2435 38.8993 178.9134 99 L 4.2373 7.8683 125.2789 55.7736 41.8325 176.3541 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 35 F 8.32 4.80 0.00 3.22 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 8.48 4.42 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 37 C 8.26 4.21 0.00 3.17 2.90 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 0.00 0.00 0.00 38 V 8.12 3.59 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 -0.14 0.00 0.00 0.87 0.00 0.00 39 E 8.03 3.85 0.00 2.04 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 2.34 2.44 0.00 40 C 7.91 4.24 0.00 3.12 3.12 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 41 R 8.21 4.02 0.00 2.42 2.14 0.00 3.45 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.93 0.00 42 Q 7.90 4.05 0.00 2.21 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.95 0.00 0.00 0.00 0.00 0.00 2.39 2.45 0.00 43 Q 7.92 4.24 0.00 2.05 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.47 0.00 0.00 0.00 0.00 0.00 2.34 2.41 0.00 44 K 7.49 3.83 0.00 1.82 1.85 0.00 1.66 0.00 0.00 1.77 0.00 0.00 3.10 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.31 7.81 45 S 8.16 4.77 0.00 3.93 3.95 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.51 3.97 0.00 1.80 1.66 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.36 1.01 7.81 47 C 8.71 4.79 0.00 2.84 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.53 4.90 0.00 2.71 2.44 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.98 4.29 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 *50 H 8.28 3.78 0.00 2.99 3.09 0.00 7.24 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 *56 P 0.00 4.20 0.00 2.04 2.03 0.00 3.64 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.06 0.00 57 C 8.32 4.41 0.00 3.05 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.47 3.65 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 59 K 8.27 3.81 0.00 1.75 1.86 0.00 1.68 0.00 0.00 1.80 0.00 0.00 2.90 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.52 1.42 7.81 60 C 7.55 4.06 0.00 3.31 2.95 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.25 4.14 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 62 K 7.96 3.28 0.00 1.78 1.79 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.37 1.05 7.81 63 K 7.73 4.36 0.00 1.69 1.72 0.00 1.92 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.29 1.21 7.81 64 N 8.71 4.20 0.00 2.64 2.79 0.00 0.00 6.93 7.59 0.00 0.00 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 V 7.87 4.45 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 nan 0.00 0.00 0.89 0.00 0.00 66 P 0.00 4.22 0.00 1.99 2.02 0.00 3.63 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.05 0.00 67 C 8.28 4.30 0.00 2.88 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 I 7.52 4.14 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 1.41 0.56 0.91 0.00 0.00 69 L 8.29 5.19 0.00 1.70 1.97 0.32 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 70 K 8.06 4.57 0.00 1.66 1.70 0.00 1.83 0.00 0.00 1.85 0.00 0.00 2.89 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.35 0.97 7.81 71 R 8.14 3.49 0.00 1.82 1.92 0.00 3.20 0.00 0.00 3.28 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.24 0.00 72 D 8.06 4.94 0.00 2.78 2.77 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 73 F 8.92 4.72 0.00 2.99 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 74 R 6.97 3.92 0.00 1.54 1.58 0.00 3.24 0.00 0.00 3.21 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.44 0.00 75 R 7.81 4.23 0.00 2.06 2.08 0.00 2.95 0.00 0.00 3.11 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.49 0.00 76 T 8.95 4.69 4.32 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 1.28 0.00 0.00 77 Y 8.62 3.97 0.00 3.12 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 78 K 7.23 4.01 0.00 1.75 1.75 0.00 1.72 0.00 0.00 1.75 0.00 0.00 2.88 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.68 1.46 7.81 79 R 8.40 3.46 0.00 1.94 1.82 0.00 3.28 0.00 0.00 3.35 8.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.83 0.00 80 A 8.42 4.01 1.40 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 81 R 8.43 3.79 0.00 1.99 2.14 0.00 3.30 0.00 0.00 3.18 7.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.89 0.00 82 N 9.10 4.33 0.00 2.92 2.87 0.00 0.00 7.19 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.27 3.94 0.00 2.28 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 2.35 2.40 0.00 84 A 8.12 3.99 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 I 7.82 3.61 2.04 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 1.43 0.90 0.87 0.00 0.00 86 E 8.71 3.69 0.00 2.09 1.99 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 2.39 2.36 0.00 87 K 8.20 3.95 0.00 1.96 2.02 0.00 1.71 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.50 7.81 88 R 8.64 3.96 0.00 2.04 2.02 0.00 3.22 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.87 0.00 89 F 9.00 4.25 0.00 3.01 3.33 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 90 K 8.33 4.09 0.00 1.82 1.81 0.00 1.90 0.00 0.00 1.68 0.00 0.00 2.92 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.38 1.33 7.81 91 E 8.17 4.18 0.00 1.99 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 0.00 2.26 2.24 0.00 92 L 7.57 4.19 0.00 1.59 1.73 0.92 0.87 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 93 T 7.79 3.87 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 1.01 0.00 0.00 94 R 7.61 4.06 0.00 1.90 1.88 0.00 3.25 0.00 0.00 3.26 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.45 0.00 95 T 8.17 4.46 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 96 L 7.60 4.31 0.00 1.74 1.61 0.92 0.84 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 97 T 8.00 4.69 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 98 N 7.65 4.97 0.00 2.72 2.61 0.00 0.00 6.63 7.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 L 7.87 4.24 0.00 1.59 1.38 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.