NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 E 4.2839 8.4449 120.2254 55.8864 30.9034 175.0092 6 I 3.7987 8.0718 122.2049 58.2369 37.8972 173.9912 7 P 4.3400 0.0000 0.0000 62.2413 32.9967 176.8272 8 L 3.9593 8.5964 122.6965 58.6073 41.8370 179.0414 9 H 4.2736 8.0568 114.6947 58.5262 28.4621 177.4142 10 E 3.9349 7.8014 121.0093 59.3367 29.3007 179.0160 11 I 3.7037 7.8018 119.3188 64.6701 37.1366 178.3664 12 I 3.7201 7.7033 120.3410 64.5479 36.9094 178.8202 13 R 4.0022 8.3877 119.1884 58.6948 29.5617 179.2054 14 K 3.9182 7.8970 119.0602 59.5292 32.3764 178.3930 15 L 4.1176 7.6167 117.8696 57.9934 41.8220 179.2096 16 E 4.1761 8.3034 118.2751 59.3700 29.5140 179.9374 17 R 3.7242 8.0252 114.7709 57.3530 30.1685 177.8468 *19 N 4.6321 8.0595 119.3986 53.8164 40.9190 176.2317 20 Q 4.0322 8.1282 117.0385 59.2106 28.6760 179.4194 21 K 4.0035 7.9608 118.7521 59.3425 32.0553 179.6102 22 K 4.1413 7.9764 118.3083 59.6724 32.0768 179.2993 23 Q 4.0036 8.2538 118.0900 58.6963 28.4809 178.7401 24 A 3.9881 7.9481 121.9823 55.1116 18.4525 179.5211 25 Q 3.9230 8.2295 116.7608 59.3231 28.8754 179.2875 26 R 3.9194 8.1012 119.5061 59.2510 30.0792 178.4600 27 K 3.9451 8.1911 119.4397 59.6231 32.2578 179.0418 28 R 3.9509 8.2428 118.5636 59.4381 29.9358 178.5253 29 H 4.3409 8.3316 118.0441 58.7073 29.9597 177.0022 30 K 3.7873 8.4644 121.9277 59.7703 32.1048 178.7839 31 L 4.0305 7.9815 119.0163 57.5387 41.5574 178.9447 32 N 4.2956 8.1011 116.5830 56.5903 38.4666 177.6003 33 R 3.9031 7.9887 119.0053 59.1490 30.1964 178.7469 34 K 3.7806 8.0408 119.4396 59.8812 31.8557 178.3011 35 E 4.0037 7.9674 117.8722 58.7707 29.6615 178.0229 36 R 4.3654 7.7344 115.1990 55.1970 30.5340 176.5323 37 G 3.9285 7.6735 106.7526 46.5934 0.0000 173.0584 38 H 4.5962 8.3467 119.4093 54.6658 30.6996 174.5085 39 K 4.7445 7.9798 124.8028 54.0570 35.9644 176.3040 40 S 4.6165 9.2019 116.5505 56.7799 65.9087 173.4762 41 P 4.3874 0.0000 0.0000 65.7638 30.8884 179.0717 42 S 4.1676 7.9447 112.4950 61.2317 63.3444 175.9545 43 E 3.9054 7.9866 121.9543 59.2023 29.2147 179.2676 44 Q 3.8821 8.5394 119.6069 59.2043 29.2304 177.7838 45 R 3.8985 8.0731 119.8660 59.6976 30.1258 178.3041 46 R 3.9168 8.1988 118.3243 59.5195 30.0859 178.5508 47 S 4.2555 8.2737 114.2144 61.6459 62.8530 176.3122 48 E 4.0601 8.4582 122.1284 59.1535 29.3295 179.1833 49 L 4.0419 8.1910 119.1014 57.4866 41.6054 179.4582 50 W 4.0408 8.1404 127.7440 60.9503 30.8065 177.8081 51 H 4.0334 8.9058 116.2846 58.7625 28.2268 177.6668 52 A 3.9888 8.1160 122.6897 55.1763 18.1302 179.6882 53 R 3.8160 7.7240 116.8556 59.3129 30.0237 178.6367 54 Q 3.6138 7.7248 118.1675 58.6730 28.3572 178.9901 55 V 3.4848 7.1975 117.6767 65.9247 31.9646 177.3790 56 E 4.0255 7.9377 118.6989 59.3641 29.6257 178.7980 57 L 3.9844 8.0439 119.1265 57.7552 41.7892 179.2848 58 S 4.2958 7.9317 113.6222 60.1955 62.6698 175.7853 59 A 4.2119 7.5804 122.5245 53.9434 18.3733 178.9114 60 I 3.9662 7.4803 117.8827 63.7594 37.2776 177.7003 61 N 4.5196 7.8164 116.5126 55.6642 38.6951 177.1425 62 S 4.3521 8.0037 115.3884 60.6245 63.0002 175.2845 63 D 4.6231 7.4167 119.2240 54.6386 41.3298 175.5387 64 N 4.5412 7.9965 121.1609 52.8523 38.7904 174.9356 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 5 E 8.44 4.28 0.00 1.97 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 2.21 2.28 0.00 6 I 8.07 3.80 1.85 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 1.46 0.33 0.89 0.00 0.00 7 P 0.00 4.34 0.00 1.92 2.12 0.00 3.66 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.89 0.00 8 L 8.60 3.96 0.00 1.76 1.71 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 9 H 8.06 4.27 0.00 3.38 3.56 0.00 5.51 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 E 7.80 3.93 0.00 2.15 2.00 0.00 0.00 0.00 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 2.47 0.00 11 I 7.80 3.70 2.02 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 1.62 0.57 0.90 0.00 0.00 12 I 7.70 3.72 2.05 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 1.53 1.10 0.92 0.00 0.00 13 R 8.39 4.00 0.00 1.85 1.99 0.00 3.15 0.00 0.00 3.11 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 14 K 7.90 3.92 0.00 1.91 1.82 0.00 1.81 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.47 7.81 15 L 7.62 4.12 0.00 1.83 1.73 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.30 4.18 0.00 2.27 2.00 0.00 0.00 0.00 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 2.35 0.00 17 R 8.03 3.72 0.00 2.08 1.95 0.00 3.15 0.00 0.00 3.09 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 *19 N 8.06 4.63 0.00 2.91 2.84 0.00 0.00 7.09 7.02 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 20 Q 8.13 4.03 0.00 2.44 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.53 0.00 21 K 7.96 4.00 0.00 1.80 1.85 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.63 1.62 7.81 22 K 7.98 4.14 0.00 1.95 1.86 0.00 1.67 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.53 7.81 23 Q 8.25 4.00 0.00 2.25 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.38 2.57 0.00 24 A 7.95 3.99 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 25 Q 8.23 3.92 0.00 2.27 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.74 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 26 R 8.10 3.92 0.00 1.89 1.93 0.00 3.09 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 27 K 8.19 3.95 0.00 1.99 1.95 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.47 7.81 28 R 8.24 3.95 0.00 2.16 1.98 0.00 3.17 0.00 0.00 3.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 29 H 8.33 4.34 0.00 3.26 3.40 0.00 5.62 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 K 8.46 3.79 0.00 1.96 1.91 0.00 1.64 0.00 0.00 1.61 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.45 7.81 31 L 7.98 4.03 0.00 1.75 1.69 0.92 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 32 N 8.10 4.30 0.00 2.99 2.91 0.00 0.00 7.00 7.68 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 33 R 7.99 3.90 0.00 1.98 2.16 0.00 2.75 0.00 0.00 2.97 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.75 0.00 34 K 8.04 3.78 0.00 1.96 1.95 0.00 1.63 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.42 1.59 7.81 35 E 7.97 4.00 0.00 2.04 2.27 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 2.32 2.35 0.00 36 R 7.73 4.37 0.00 1.99 1.97 0.00 3.36 0.00 0.00 3.23 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.78 0.00 37 G 7.67 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.35 4.60 0.00 3.09 3.22 0.00 5.89 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 K 7.98 4.74 0.00 1.66 1.59 0.00 1.77 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.28 1.34 7.81 40 S 9.20 4.62 0.00 4.00 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 P 0.00 4.39 0.00 2.17 2.16 0.00 3.59 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.15 0.00 42 S 7.94 4.17 0.00 4.05 4.11 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 43 E 7.99 3.91 0.00 2.30 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 2.30 2.31 0.00 44 Q 8.54 3.88 0.00 2.20 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.70 0.00 0.00 0.00 0.00 0.00 2.51 2.35 0.00 45 R 8.07 3.90 0.00 2.07 2.12 0.00 3.16 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 46 R 8.20 3.92 0.00 1.99 2.15 0.00 3.14 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 47 S 8.27 4.26 0.00 4.22 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 48 E 8.46 4.06 0.00 2.31 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 0.00 2.36 2.48 0.00 49 L 8.19 4.04 0.00 1.89 1.79 0.95 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 50 W 8.14 4.04 0.00 3.42 3.39 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 51 H 8.91 4.03 0.00 3.29 3.38 0.00 5.68 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 A 8.12 3.99 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 53 R 7.72 3.82 0.00 2.02 1.79 0.00 3.08 0.00 0.00 3.11 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 54 Q 7.72 3.61 0.00 1.85 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.58 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 55 V 7.20 3.48 2.19 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 0.76 0.00 0.00 0.96 0.00 0.00 56 E 7.94 4.03 0.00 2.06 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 2.27 2.32 0.00 57 L 8.04 3.98 0.00 1.61 1.63 0.82 0.82 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 58 S 7.93 4.30 0.00 3.79 3.86 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 0.00 0.00 0.00 59 A 7.58 4.21 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.48 3.97 1.96 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 1.61 1.33 0.89 0.00 0.00 61 N 7.82 4.52 0.00 2.74 2.86 0.00 0.00 7.04 6.93 0.00 0.00 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 S 8.00 4.35 0.00 4.07 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 63 D 7.42 4.62 0.00 2.71 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 64 N 8.00 4.54 0.00 2.86 2.68 0.00 0.00 6.69 6.86 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 * Residues marked with a * may have inaccurate shift predictions.