NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 A 4.3657 8.1233 123.5834 51.6980 18.8612 177.3919 5 L 3.8295 8.4693 123.8779 58.0509 41.5506 177.9268 6 L 4.4060 8.7404 119.8497 57.8194 41.9797 179.4359 7 R 3.9634 7.8986 117.4242 59.3268 30.1588 178.7120 8 Q 3.9665 8.2389 117.6821 59.0613 28.6633 178.6701 9 A 3.6392 9.1506 121.8937 55.2916 18.4294 178.5910 10 Y 4.0797 8.2446 117.6016 61.1530 38.6215 178.8609 11 S 4.0851 8.4285 114.2661 61.6822 63.1148 176.4485 12 A 4.0516 8.0471 122.1519 54.6084 18.5267 178.3235 13 L 4.1606 8.0210 117.1496 56.9021 42.4305 178.8527 14 F 5.0977 7.0175 113.6481 58.6883 38.7669 176.6243 15 R 3.6155 6.8084 121.8972 58.2132 30.5918 175.8351 16 R 4.0579 7.5964 116.0168 56.0974 30.9043 177.7642 17 T 3.9665 8.7789 123.0004 66.7312 68.2863 176.4966 18 S 4.1899 8.0207 116.1683 61.7162 63.2074 176.5293 19 T 3.9792 8.0080 113.6767 64.0371 68.5240 176.4356 20 F 4.2666 8.5435 124.4534 60.6506 39.4492 176.8070 21 A 4.1721 8.0932 120.6582 55.1073 18.1229 179.2805 22 L 3.8979 7.9330 118.9058 58.6405 42.0807 179.4638 23 T 3.8170 8.1123 115.9803 66.4617 68.3611 176.8774 24 V 3.4616 7.7311 120.1902 65.9133 31.5449 178.1568 25 V 3.5280 7.9746 118.0556 66.1026 31.3439 177.8602 26 L 4.1293 8.3212 120.2998 57.8765 41.7791 179.3013 27 G 3.5701 8.5145 106.3061 47.4104 0.0000 175.6724 28 A 4.0360 8.4481 123.6516 54.9044 18.4691 179.5428 29 V 3.5607 7.7838 116.7617 66.4665 31.5357 178.2162 30 L 4.0257 7.6937 118.3513 57.7448 41.4321 179.2483 31 F 4.1890 8.5916 120.8756 61.6045 39.3137 176.3070 32 E 3.8722 8.9120 119.3171 58.9185 29.5072 178.4594 33 R 3.7984 8.0485 117.7248 59.6043 30.2287 178.3547 34 A 3.8897 7.9207 120.0059 55.2540 18.5202 179.2403 35 F 3.7611 8.4029 119.4423 61.3811 39.1336 177.1547 36 D 4.1594 8.5394 118.7091 57.4408 40.6862 178.3985 37 Q 4.0406 7.8222 118.1640 59.0579 28.6945 179.6154 38 G 3.4468 8.0543 106.0611 47.6842 0.0000 175.2496 39 A 3.7838 7.4431 123.9002 54.8610 18.2583 179.2762 40 D 4.3155 8.2007 117.0909 57.4878 40.9126 178.9733 41 A 3.9981 8.0885 121.0606 55.4240 18.4134 179.6758 42 I 3.6552 8.0657 118.5809 64.4818 36.9304 178.5260 43 F 4.0369 8.3072 120.5848 61.4166 39.5743 176.8120 44 E 4.0970 8.6209 118.5405 59.4201 29.0092 178.7993 45 H 4.0475 8.1286 117.4481 59.3231 30.1465 177.1969 46 L 4.0993 7.7125 118.5999 56.3969 42.0265 176.8645 47 N 4.9805 7.7709 116.9276 51.9944 39.4574 174.4452 48 E 3.8749 8.2317 117.0480 57.9574 30.2363 177.6893 49 G 4.0360 8.2089 108.7998 46.3300 0.0000 174.2038 50 K 4.3935 7.8348 119.7039 56.7955 33.9538 177.1836 51 L 4.4360 7.3846 117.9128 53.2955 42.7536 177.4392 52 W 4.2431 8.8564 130.8432 60.3698 31.0351 178.0020 53 K 3.8200 8.3858 118.6083 59.9312 31.6250 177.4074 54 H 4.3772 7.8603 114.7297 58.9356 28.9232 177.6092 55 I 3.6622 7.4671 112.1314 62.4235 37.7792 177.2839 56 K 2.4892 7.3545 122.7808 59.7330 31.4764 177.8066 57 H 4.5136 7.5643 114.8600 57.9466 28.2730 176.7009 58 K 3.8426 7.4834 120.3987 58.5172 31.8307 177.1525 59 Y 4.4547 7.4999 113.0240 57.5265 39.7572 175.2747 60 E 4.2190 8.1286 121.2227 56.3124 28.7006 174.4307 61 A 5.2209 7.9385 131.6343 51.7940 19.6504 175.9224 62 S 4.0033 8.3329 117.6253 61.9158 63.7384 175.9725 *63 E 4.1354 7.8862 121.9841 55.1239 30.1640 177.6865 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 4 A 8.12 4.37 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 5 L 8.47 3.83 0.00 1.80 1.74 0.94 0.35 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 6 L 8.74 4.41 0.00 1.73 1.80 0.96 1.06 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 7 R 7.90 3.96 0.00 2.03 1.99 0.00 3.13 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.72 0.00 8 Q 8.24 3.97 0.00 2.23 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.38 2.63 0.00 9 A 9.15 3.64 1.18 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 0.00 0.00 0.00 0.00 0.00 0.00 10 Y 8.24 4.08 0.00 3.30 3.26 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 11 S 8.43 4.09 0.00 4.07 3.94 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 0.00 0.00 0.00 12 A 8.05 4.05 1.24 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 0.00 0.00 0.00 13 L 8.02 4.16 0.00 0.61 1.37 0.66 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 14 F 7.02 5.10 0.00 2.96 3.17 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 15 R 6.81 3.62 0.00 1.45 1.64 0.00 3.48 0.00 0.00 3.17 7.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.45 0.00 16 R 7.60 4.06 0.00 1.87 1.79 0.00 3.25 0.00 0.00 3.33 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.65 0.00 17 T 8.78 3.97 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 1.14 0.00 0.00 18 S 8.02 4.19 0.00 4.06 4.13 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.01 3.98 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 1.20 0.00 0.00 20 F 8.54 4.27 0.00 3.19 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 A 8.09 4.17 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 L 7.93 3.90 0.00 1.94 1.79 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 23 T 8.11 3.82 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 1.18 0.00 0.00 24 V 7.73 3.46 2.22 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 0.96 0.00 0.00 0.81 0.00 0.00 25 V 7.97 3.53 2.22 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 0.95 0.00 0.00 0.98 0.00 0.00 26 L 8.32 4.13 0.00 1.83 1.70 0.93 1.37 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 27 G 8.51 3.57 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 A 8.45 4.04 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 29 V 7.78 3.56 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 1.05 0.00 0.00 0.95 0.00 0.00 30 L 7.69 4.03 0.00 1.77 1.75 0.98 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 31 F 8.59 4.19 0.00 3.17 3.28 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 32 E 8.91 3.87 0.00 2.22 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 2.55 2.38 0.00 33 R 8.05 3.80 0.00 1.93 2.10 0.00 3.15 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 34 A 7.92 3.89 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 F 8.40 3.76 0.00 1.92 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.54 4.16 0.00 2.71 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.82 4.04 0.00 2.21 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 38 G 8.05 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 A 7.44 3.78 0.99 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 0.00 0.00 40 D 8.20 4.32 0.00 2.79 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 41 A 8.09 4.00 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 42 I 8.07 3.66 2.03 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.70 0.93 0.00 0.00 43 F 8.31 4.04 0.00 3.06 3.25 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 44 E 8.62 4.10 0.00 2.10 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 2.48 2.71 0.00 45 H 8.13 4.05 0.00 3.14 3.37 0.00 5.76 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 L 7.71 4.10 0.00 1.71 1.57 0.98 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 47 N 7.77 4.98 0.00 2.48 2.56 0.00 0.00 6.83 7.80 0.00 0.00 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 8.23 3.87 0.00 1.86 1.82 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 2.37 2.15 0.00 49 G 8.21 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 50 K 7.83 4.39 0.00 1.80 1.85 0.00 1.66 0.00 0.00 1.75 0.00 0.00 2.97 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.56 7.81 51 L 7.38 4.44 0.00 1.45 1.59 0.97 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 52 W 8.86 4.24 0.00 3.39 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 53 K 8.39 3.82 0.00 1.80 1.81 0.00 1.89 0.00 0.00 1.94 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.53 7.81 54 H 7.86 4.38 0.00 3.27 3.28 0.00 5.72 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 I 7.47 3.66 1.87 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.22 0.91 0.00 0.00 56 K 7.35 2.49 0.00 0.79 1.52 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.82 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.40 1.36 7.81 57 H 7.56 4.51 0.00 3.21 3.37 0.00 5.39 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 K 7.48 3.84 0.00 0.79 1.10 0.00 1.42 0.00 0.00 1.49 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.31 1.27 7.81 59 Y 7.50 4.45 0.00 3.02 3.08 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 0.00 0.00 0.00 60 E 8.13 4.22 0.00 2.12 2.09 0.00 0.00 0.00 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 2.28 0.00 61 A 7.94 5.22 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 62 S 8.33 4.00 0.00 4.01 3.99 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 *63 E 7.89 4.14 0.00 1.76 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.