NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 V 3.9171 8.0549 120.3168 66.1154 32.2461 176.1534 3 D 3.8882 7.0056 119.5236 52.7200 40.2043 173.2921 4 P 4.7268 0.0000 0.0000 60.3835 30.3993 174.4317 5 V 4.9693 8.1743 127.7454 66.4920 34.1631 169.0147 6 G 4.3376 8.6301 120.4262 47.5659 0.0000 175.0217 7 F 4.2549 8.2284 122.4881 61.1529 39.4160 177.2999 8 A 3.9190 8.0861 119.9497 55.1374 18.1429 179.3023 9 E 4.0235 8.2098 116.5477 59.3016 29.4446 178.9854 10 A 4.0866 8.4924 120.6443 53.9996 18.7518 179.3610 11 W 4.0404 8.0294 127.4607 60.6365 30.8449 178.4497 12 K 4.3634 8.7247 117.9064 58.4198 31.2434 178.1358 13 A 4.2635 7.2762 119.3569 52.7192 18.5366 177.5543 14 Q 3.9535 7.2145 113.6163 55.9037 33.2956 175.5230 15 F 4.9781 7.6733 115.4519 54.9302 39.0418 174.1905 16 P 4.2789 0.0000 0.0000 65.4528 32.0498 178.0714 17 D 4.5974 8.1679 116.6321 56.5147 41.4379 177.2947 18 S 4.6309 7.7084 113.3253 58.1308 63.7776 173.3203 19 E 4.6528 8.3351 121.1238 53.8052 31.2442 174.5900 20 P 2.9700 0.0000 0.0000 62.0876 31.6688 176.4044 21 P 4.3753 0.0000 0.0000 61.5686 28.6225 176.0123 22 R 3.6916 7.8014 120.2941 56.1391 30.9950 176.6437 *24 E 4.0374 8.3837 118.1531 56.6922 29.8591 176.1816 25 L 4.7502 8.0120 124.7741 53.0743 41.7690 177.1290 26 R 4.2910 9.4064 117.2610 56.6799 31.4223 176.9605 27 S 4.5067 7.2426 112.0872 56.3785 66.5283 175.8598 28 V 3.6661 8.2146 120.4301 66.1397 31.1497 177.8195 29 G 3.6333 8.0716 104.9125 47.9527 0.0000 175.1083 30 D 4.3723 7.7461 119.8646 57.1471 40.7434 178.6954 31 I 3.6600 7.7670 120.1293 64.7840 37.2314 178.4052 32 E 3.9571 8.4385 119.0835 59.1434 29.1140 179.5077 33 Q 3.9093 8.1030 119.9433 59.3252 29.2529 177.9886 34 E 3.9821 8.3368 119.5290 59.0319 29.4865 179.1154 35 L 4.0009 8.2692 121.1920 57.8946 42.1331 178.6638 36 E 3.9121 8.0938 119.3331 59.3051 29.6419 178.6904 37 R 3.9208 8.3006 118.2970 59.5239 30.0883 178.9158 38 A 4.0377 8.1129 120.2309 54.8965 18.3198 179.9064 39 K 3.9107 8.0440 116.6110 59.6452 32.2070 179.3360 40 A 3.9759 7.9879 121.0030 55.3402 18.2690 179.6684 41 S 4.0458 8.0235 111.5013 61.5531 62.4926 176.4301 42 I 3.7249 8.3331 123.0895 64.2086 36.6909 178.3989 43 R 3.8079 8.2108 119.6487 59.3943 29.6743 178.0980 44 R 3.9275 8.0085 118.5166 59.9331 30.0220 178.3869 45 L 4.1019 8.0533 118.2620 57.7568 41.5892 179.3423 46 E 4.0104 8.2110 118.6348 59.4748 29.3630 179.4873 47 Q 3.9931 7.8797 118.2392 59.0753 28.7545 178.6320 48 E 4.1540 7.8788 118.2734 59.2331 29.4364 179.6630 49 V 3.6288 7.9441 118.5192 66.0268 31.6323 177.9281 50 N 4.4169 8.1751 116.3287 56.2676 38.3498 177.4341 51 Q 4.0569 8.6532 119.8030 59.2414 28.6542 178.8872 52 E 4.0961 8.4119 118.5310 59.3840 29.5358 179.3369 53 R 4.1372 8.0446 117.5751 58.8137 30.3496 178.5332 54 F 4.4003 8.4375 120.7453 61.2391 39.3792 177.7269 55 R 4.1041 7.8823 115.0247 57.4990 30.2706 178.3350 *57 I 4.0347 7.7102 121.9700 61.6337 39.4145 177.3856 58 Y 3.9934 7.9509 120.7178 60.6428 38.5914 177.9424 59 L 3.6496 8.4333 120.2788 57.9240 41.9246 179.7846 60 Q 4.0127 7.9445 116.5293 59.3252 28.3984 178.5157 61 T 3.9186 7.6141 118.1470 66.4887 68.2086 176.5859 62 L 3.8823 7.2937 120.0290 57.6247 41.6681 179.2670 63 L 4.0134 7.6699 117.7049 56.9419 41.4727 178.8756 64 A 4.2892 7.0664 118.5730 54.0035 19.5231 176.9215 65 K 3.9384 8.1005 121.7726 56.9453 32.2238 176.2778 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 2 V 8.05 3.92 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 1.06 0.00 0.00 1.00 0.00 0.00 3 D 7.01 3.89 0.00 2.90 2.89 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 4 P 0.00 4.73 0.00 2.06 2.06 0.00 3.84 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.06 0.00 5 V 8.17 4.97 2.12 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 0.80 0.00 0.00 0.96 0.00 0.00 6 G 8.63 4.34 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 0.00 7 F 8.23 4.25 0.00 3.30 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 A 8.09 3.92 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 9 E 8.21 4.02 0.00 2.05 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 2.42 2.45 0.00 10 A 8.49 4.09 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.03 4.04 0.00 3.23 3.04 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 12 K 8.72 4.36 0.00 1.86 1.90 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.65 1.88 7.81 13 A 7.28 4.26 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 14 Q 7.21 3.95 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.79 7.26 0.00 0.00 0.00 0.00 0.00 1.89 1.92 0.00 15 F 7.67 4.98 0.00 2.52 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 P 0.00 4.28 0.00 2.04 2.15 0.00 3.65 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.29 0.00 17 D 8.17 4.60 0.00 2.73 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 18 S 7.71 4.63 0.00 4.21 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 E 8.34 4.65 0.00 1.85 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 2.24 2.40 0.00 20 P 0.00 2.97 0.00 1.86 1.75 0.00 3.55 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.85 0.00 21 P 0.00 4.38 0.00 1.90 1.89 0.00 2.82 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.40 0.00 22 R 7.80 3.69 0.00 1.74 1.87 0.00 3.20 0.00 0.00 3.19 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 *24 E 8.38 4.04 0.00 1.96 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 2.19 2.27 0.00 25 L 8.01 4.75 0.00 1.51 1.51 0.75 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 26 R 9.41 4.29 0.00 1.82 1.95 0.00 3.18 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.53 0.00 27 S 7.24 4.51 0.00 3.97 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 28 V 8.21 3.67 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 1.11 0.00 0.00 0.92 0.00 0.00 29 G 8.07 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 D 7.75 4.37 0.00 2.91 2.92 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 31 I 7.77 3.66 2.02 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.97 0.90 0.00 0.00 32 E 8.44 3.96 0.00 2.00 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 2.49 0.00 33 Q 8.10 3.91 0.00 2.12 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 34 E 8.34 3.98 0.00 2.02 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 2.46 2.43 0.00 35 L 8.27 4.00 0.00 1.96 1.83 0.94 0.89 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 36 E 8.09 3.91 0.00 2.30 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 0.00 2.31 2.39 0.00 37 R 8.30 3.92 0.00 2.02 1.99 0.00 3.34 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.82 0.00 38 A 8.11 4.04 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.04 3.91 0.00 1.86 1.87 0.00 1.69 0.00 0.00 1.66 0.00 0.00 3.08 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.69 7.81 40 A 7.99 3.98 1.33 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 0.00 0.00 41 S 8.02 4.05 0.00 4.00 4.07 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 0.00 0.00 0.00 0.00 42 I 8.33 3.72 2.04 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 1.42 0.77 0.96 0.00 0.00 43 R 8.21 3.81 0.00 1.87 2.08 0.00 3.12 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 44 R 8.01 3.93 0.00 2.08 2.14 0.00 3.20 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 1.75 0.00 45 L 8.05 4.10 0.00 1.74 1.70 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 46 E 8.21 4.01 0.00 2.18 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 2.56 0.00 47 Q 7.88 3.99 0.00 2.23 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 48 E 7.88 4.15 0.00 2.19 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 2.33 2.54 0.00 49 V 7.94 3.63 2.26 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 1.05 0.00 0.00 0.97 0.00 0.00 50 N 8.18 4.42 0.00 2.94 2.85 0.00 0.00 7.05 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 51 Q 8.65 4.06 0.00 2.19 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.62 0.00 52 E 8.41 4.10 0.00 1.97 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 2.58 2.51 0.00 53 R 8.04 4.14 0.00 1.91 2.05 0.00 3.20 0.00 0.00 3.18 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.82 0.00 54 F 8.44 4.40 0.00 3.27 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 55 R 7.88 4.10 0.00 2.21 2.00 0.00 3.26 0.00 0.00 3.22 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.95 0.00 *57 I 7.71 4.03 1.86 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.56 0.85 0.00 0.00 58 Y 7.95 3.99 0.00 2.67 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 59 L 8.43 3.65 0.00 1.63 1.63 0.98 0.88 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 60 Q 7.94 4.01 0.00 2.23 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.91 0.00 0.00 0.00 0.00 0.00 2.36 2.48 0.00 61 T 7.61 3.92 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 1.16 0.00 0.00 62 L 7.29 3.88 0.00 1.58 1.55 0.46 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 63 L 7.67 4.01 0.00 1.74 1.70 0.88 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 64 A 7.07 4.29 1.29 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 65 K 8.10 3.94 0.00 1.69 1.75 0.00 1.82 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.38 7.81 * Residues marked with a * may have inaccurate shift predictions.