NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3959 8.2629 118.1937 54.7920 32.6212 175.1425 2 K 4.5357 8.2349 121.0734 52.7538 33.0346 176.0809 3 C 4.2972 9.4801 122.8871 58.9739 32.8676 173.0121 4 P 4.2637 0.0000 0.0000 65.1617 31.3918 177.7865 5 V 3.8468 7.7387 116.9044 64.8905 32.1157 176.4176 6 C 4.2980 7.8473 112.3881 57.9177 30.3543 174.1368 7 H 4.3286 7.9622 115.7585 56.7502 26.7056 174.4586 8 Q 4.4283 7.6738 115.0870 57.4554 30.5804 176.3352 9 G 3.9022 7.6602 105.1697 45.7589 0.0000 172.0533 10 E 4.6711 8.7229 123.5311 56.2002 31.2314 175.1859 11 M 4.9036 8.4107 124.9085 54.4072 33.5301 175.9533 12 V 4.4980 8.7870 122.6001 60.7961 35.0355 175.0209 13 S 4.6250 9.1075 123.5575 58.8643 63.7924 173.7615 14 G 4.0294 7.9780 109.2164 46.6272 0.0000 171.4529 15 I 5.0168 8.2912 119.7001 59.4843 39.9265 175.6370 16 K 4.5207 8.6588 126.3933 54.2847 36.0041 175.4493 17 D 4.9799 8.6297 123.7125 54.0555 41.8613 175.7717 18 I 4.4326 9.0426 125.8344 58.7334 39.1169 173.6705 19 P 4.6081 0.0000 0.0000 63.4006 31.4600 175.4248 20 Y 4.4566 8.3831 121.3031 59.2661 42.9408 174.5054 *27 T 4.0109 7.5037 112.2771 61.7996 69.1617 171.8884 28 V 4.6639 7.7852 120.6935 61.1613 34.5157 174.5739 29 L 4.4331 9.2026 131.2399 54.3749 42.6787 176.8588 30 K 4.7449 8.7256 127.6227 54.1172 33.7680 172.4902 31 G 3.8556 8.3531 107.0846 47.0830 0.0000 174.1614 32 I 4.3444 7.6513 120.9611 60.4365 38.4454 175.5349 33 H 5.0329 9.0944 125.2324 55.5802 29.9065 175.1228 34 G 3.6540 8.5046 108.3995 46.0942 0.0000 171.5165 35 L 4.9259 7.9122 120.5639 53.7883 42.9112 175.7908 36 Y 4.8030 8.6819 122.9419 55.9292 40.0488 175.2303 37 C 4.6640 8.6018 125.3130 60.0202 31.9395 173.9965 38 V 3.9339 8.4223 117.7318 62.8572 31.1550 176.3129 39 H 4.7105 8.3961 119.2926 56.2531 31.7065 172.4355 40 C 4.9287 7.7416 111.6243 56.4673 32.3393 173.0704 41 E 4.4489 8.5403 117.2417 56.4213 29.5014 176.2677 42 E 4.3589 7.8623 121.2653 56.3403 30.9526 175.4906 43 S 4.9867 8.3162 117.7063 56.6626 66.7202 172.7923 44 I 4.4780 8.3860 121.6732 59.8500 39.5369 174.7572 45 M 5.2047 8.3587 124.9981 53.0426 35.9762 175.7751 46 N 4.6885 9.0594 120.5037 51.4763 40.6096 175.6936 47 K 3.7393 8.5575 119.8433 60.0891 31.9338 177.5283 48 E 3.9069 8.1988 118.3319 59.5160 29.6319 178.5339 49 E 3.9793 8.8986 118.6395 59.5955 29.5327 179.4576 50 S 4.1684 8.6138 115.2641 61.8344 62.8640 176.4637 51 D 4.3702 8.2853 121.1029 57.5649 40.5758 178.7920 52 A 3.9849 8.0737 121.0210 55.1201 18.2858 179.5688 53 F 4.1093 8.2556 118.9324 61.9093 39.6154 177.4981 54 M 3.7925 8.3844 118.1763 57.8503 31.6020 178.4232 55 A 3.9516 8.1660 121.4032 55.5050 18.5508 179.7713 56 Q 3.8376 7.7035 115.9343 59.0723 28.7610 179.1783 57 V 3.1096 7.2524 119.2208 65.6038 31.4058 178.1449 58 K 4.0168 8.0628 117.9575 58.7448 32.1451 178.7815 59 A 3.9606 8.0828 121.3279 55.4346 18.2649 179.0220 60 F 4.2346 8.2940 118.3294 61.6486 39.3835 177.2718 61 R 3.6851 8.1596 117.0871 59.5922 29.8063 178.8556 62 A 3.9311 7.7973 118.6006 55.1562 18.3861 179.3430 63 S 4.1114 7.5965 110.6163 61.2928 62.4857 176.1717 64 V 3.5934 7.2571 120.4092 65.4266 31.3278 176.0246 65 N 4.5894 8.1745 120.2360 53.4563 38.5385 174.6892 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 1 M 8.26 4.40 0.00 2.21 2.26 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.53 0.00 2 K 8.23 4.54 0.00 1.88 1.63 0.00 1.81 0.00 0.00 1.67 0.00 0.00 2.83 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.34 1.06 7.81 3 C 9.48 4.30 0.00 2.94 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 P 0.00 4.26 0.00 2.04 2.08 0.00 3.68 0.00 0.00 3.66 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 5 V 7.74 3.85 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.93 0.00 0.00 6 C 7.85 4.30 0.00 3.20 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 7 H 7.96 4.33 0.00 3.38 3.42 0.00 5.61 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 Q 7.67 4.43 0.00 2.02 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.89 0.00 0.00 0.00 0.00 0.00 2.58 2.35 0.00 9 G 7.66 3.90 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 0.00 0.00 0.00 10 E 8.72 4.67 0.00 2.12 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 11 M 8.41 4.90 0.00 1.92 1.95 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.75 0.00 12 V 8.79 4.50 2.13 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 1.09 0.00 0.00 0.95 0.00 0.00 13 S 9.11 4.63 0.00 3.81 3.81 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 0.00 0.00 0.00 14 G 7.98 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 15 I 8.29 5.02 1.81 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.85 0.86 0.00 0.00 16 K 8.66 4.52 0.00 1.05 1.28 0.00 1.77 0.00 0.00 1.65 0.00 0.00 2.79 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.34 1.25 7.81 17 D 8.63 4.98 0.00 2.50 2.59 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 0.00 0.00 0.00 0.00 18 I 9.04 4.43 2.05 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.99 1.08 0.00 0.00 19 P 0.00 4.61 0.00 1.96 1.99 0.00 3.67 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 20 Y 8.38 4.46 0.00 2.79 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *27 T 7.50 4.01 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.00 0.00 28 V 7.79 4.66 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 0.85 0.00 0.00 0.90 0.00 0.00 29 L 9.20 4.43 0.00 1.65 1.57 0.56 0.45 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 30 K 8.73 4.74 0.00 1.53 1.58 0.00 1.94 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.30 1.00 7.81 31 G 8.35 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 0.00 0.00 0.00 32 I 7.65 4.34 2.15 0.00 0.00 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 1.37 1.13 1.06 0.00 0.00 33 H 9.09 5.03 0.00 3.02 3.41 0.00 5.94 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 34 G 8.50 3.65 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 0.00 0.00 0.00 35 L 7.91 4.93 0.00 1.62 1.50 0.87 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 36 Y 8.68 4.80 0.00 2.91 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 37 C 8.60 4.66 0.00 3.02 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 38 V 8.42 3.93 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 0.74 0.00 0.00 1.02 0.00 0.00 39 H 8.40 4.71 0.00 3.04 3.30 0.00 5.86 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 C 7.74 4.93 0.00 3.05 2.88 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 0.00 0.00 0.00 41 E 8.54 4.45 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 2.27 2.28 0.00 42 E 7.86 4.36 0.00 2.09 1.80 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 0.00 2.34 2.32 0.00 43 S 8.32 4.99 0.00 3.16 3.32 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 0.00 44 I 8.39 4.48 1.77 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 1.16 0.63 0.84 0.00 0.00 45 M 8.36 5.20 0.00 1.76 1.78 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.50 0.00 46 N 9.06 4.69 0.00 2.97 2.95 0.00 0.00 6.63 7.29 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 47 K 8.56 3.74 0.00 1.80 1.87 0.00 1.75 0.00 0.00 1.87 0.00 0.00 2.93 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.52 1.47 7.81 48 E 8.20 3.91 0.00 2.06 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 2.37 2.41 0.00 49 E 8.90 3.98 0.00 2.12 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 2.40 2.46 0.00 50 S 8.61 4.17 0.00 3.98 3.96 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 0.00 0.00 0.00 51 D 8.29 4.37 0.00 2.90 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 A 8.07 3.98 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.26 4.11 0.00 3.16 3.34 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 54 M 8.38 3.79 0.00 2.03 2.11 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 3.00 0.00 55 A 8.17 3.95 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 56 Q 7.70 3.84 0.00 2.02 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.74 0.00 0.00 0.00 0.00 0.00 2.34 2.56 0.00 57 V 7.25 3.11 1.59 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 0.67 0.00 0.00 -0.21 0.00 0.00 58 K 8.06 4.02 0.00 1.81 1.79 0.00 1.73 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.54 1.55 7.81 59 A 8.08 3.96 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.29 4.23 0.00 3.05 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 61 R 8.16 3.69 0.00 1.89 1.97 0.00 3.21 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.98 0.00 62 A 7.80 3.93 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 63 S 7.60 4.11 0.00 3.92 4.06 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.26 3.59 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.04 0.00 0.00 65 N 8.17 4.59 0.00 2.66 2.68 0.00 0.00 6.89 7.51 0.00 0.00 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.