NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 L 4.4235 8.0276 122.7536 54.9360 43.7750 175.3563 10 L 4.9057 8.4383 125.4991 54.5211 42.5197 173.7925 11 L 5.0089 8.4933 120.1696 53.7325 47.2572 175.0512 12 E 4.7521 8.1602 115.7986 56.0866 32.9261 174.3321 13 C 5.6050 8.7561 116.2325 57.9683 31.9537 173.2782 14 T 4.4724 7.9478 121.6004 59.6266 68.3679 176.6457 15 E 3.6411 8.1503 130.1877 57.3825 28.7672 177.4355 16 C 3.8434 9.2673 106.6833 61.5591 28.2419 172.9370 17 K 4.2377 10.3946 125.5183 55.9601 29.6303 177.1495 18 R 4.4198 7.0601 114.9204 55.8273 32.6087 172.9653 19 R 3.8264 9.0412 116.8182 56.6239 27.8972 178.9601 20 N 3.8689 9.4214 113.1953 55.1565 39.6079 170.4073 21 Y 5.3820 7.9970 115.2375 58.6755 41.8214 174.0129 22 A 4.3712 8.5176 121.4911 53.5291 21.4378 172.8770 23 T 4.1789 8.7105 112.6929 61.4124 70.3942 170.4469 24 E 4.5150 7.8874 127.0445 55.9433 35.4219 174.0916 25 K 5.2329 7.7496 121.4224 58.5393 35.8188 175.9779 26 N 4.8079 8.8261 122.8836 51.3980 41.0227 174.7062 27 K 4.4046 8.1416 117.2303 58.7126 32.2523 181.5397 28 R 3.1913 7.7554 115.3128 57.1295 34.1780 177.9159 29 N 3.9718 8.7703 112.6228 56.3655 37.9237 176.9424 30 T 3.6164 9.7453 114.1376 63.2133 69.2261 172.7005 31 P 3.8513 0.0000 0.0000 60.7844 29.9537 174.4088 32 N 4.8904 8.5406 119.4555 52.5180 42.0959 172.7965 33 K 4.2826 9.6250 118.7754 55.8346 31.5725 175.2996 34 L 3.6560 8.5720 117.8944 55.6246 39.5933 175.3937 35 E 4.3368 8.1841 120.5253 56.2216 28.9872 175.0389 36 L 5.2451 8.1320 125.0489 53.9636 43.8525 175.3936 37 R 4.6566 8.6873 119.5425 55.4280 33.8771 173.5160 38 K 5.0486 8.4488 123.1990 54.5422 33.3638 174.6537 39 Y 5.0230 8.5676 127.1239 56.7745 42.3840 173.1600 40 C 4.2128 7.5709 124.1421 57.4186 33.5100 171.4191 41 P 5.1039 0.0000 0.0000 61.8930 30.1546 176.7004 42 W 5.4167 8.7007 122.2233 57.7854 32.6240 175.2244 43 C 4.3623 7.5529 116.7822 59.8806 30.3122 175.1724 44 R 3.7816 8.2676 129.1299 56.2627 28.4493 179.8891 45 K 4.4520 8.6119 119.5138 56.1208 35.7296 174.4233 46 H 4.3654 8.8624 118.1633 56.2757 30.3229 172.5102 47 T 4.1380 8.9519 117.7129 63.7352 68.7386 175.5971 48 V 3.9380 8.0023 129.0860 60.1195 33.6654 176.3429 49 H 4.6208 8.2899 116.4925 55.7415 28.0789 175.1345 50 R 4.8854 8.2815 123.0659 53.8416 33.9864 178.3651 51 E 4.4500 7.8385 119.2446 54.7610 28.3064 176.5037 52 V 3.2501 8.9143 133.6626 62.6315 30.9884 171.9277 *53 K 4.1330 8.5526 127.2936 54.8439 32.2491 172.2003 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 9 L 8.03 4.42 0.00 1.71 1.59 0.92 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 10 L 8.44 4.91 0.00 1.74 1.72 0.90 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 11 L 8.49 5.01 0.00 1.51 1.58 0.93 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 12 E 8.16 4.75 0.00 2.18 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 0.00 2.22 2.37 0.00 13 C 8.76 5.61 0.00 2.84 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 14 T 7.95 4.47 3.98 0.00 0.00 0.00 0.00 0.00 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 15 E 8.15 3.64 0.00 1.74 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 0.00 2.25 2.25 0.00 16 C 9.27 3.84 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 17 K 10.39 4.24 0.00 1.84 2.22 0.00 1.78 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.28 1.31 7.81 18 R 7.06 4.42 0.00 1.86 1.80 0.00 3.16 0.00 0.00 3.25 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.95 0.00 19 R 9.04 3.83 0.00 2.03 1.68 0.00 3.13 0.00 0.00 3.30 7.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 20 N 9.42 3.87 0.00 2.89 2.77 0.00 0.00 6.71 7.56 0.00 0.00 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 Y 8.00 5.38 0.00 2.99 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.52 4.37 0.79 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 0.00 0.00 23 T 8.71 4.18 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 1.29 0.00 0.00 24 E 7.89 4.51 0.00 1.82 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.15 0.00 25 K 7.75 5.23 0.00 1.87 1.76 0.00 1.57 0.00 0.00 1.54 0.00 0.00 2.70 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.27 1.19 7.81 26 N 8.83 4.81 0.00 2.62 2.81 0.00 0.00 6.93 7.61 0.00 0.00 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 K 8.14 4.40 0.00 1.69 1.76 0.00 1.86 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.31 1.31 7.81 28 R 7.76 3.19 0.00 1.84 1.90 0.00 3.27 0.00 0.00 3.22 7.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.63 0.00 29 N 8.77 3.97 0.00 2.81 2.56 0.00 0.00 6.85 7.54 0.00 0.00 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 T 9.75 3.62 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 31 P 0.00 3.85 0.00 2.10 2.10 0.00 3.67 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.12 0.00 32 N 8.54 4.89 0.00 2.60 2.77 0.00 0.00 7.46 6.68 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 K 9.62 4.28 0.00 1.85 2.06 0.00 1.97 0.00 0.00 1.71 0.00 0.00 2.78 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.26 1.24 7.81 34 L 8.57 3.66 0.00 1.74 1.71 0.93 0.90 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 35 E 8.18 4.34 0.00 2.23 1.90 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 2.48 2.31 0.00 36 L 8.13 5.25 0.00 1.84 1.59 0.94 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 37 R 8.69 4.66 0.00 1.80 1.82 0.00 3.30 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.64 0.00 38 K 8.45 5.05 0.00 1.85 1.75 0.00 1.69 0.00 0.00 2.29 0.00 0.00 2.60 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.41 1.51 7.81 39 Y 8.57 5.02 0.00 2.79 2.68 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 0.00 0.00 0.00 0.00 40 C 7.57 4.21 0.00 2.40 2.37 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 41 P 0.00 5.10 0.00 2.33 1.88 0.00 3.31 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 1.96 1.99 0.00 42 W 8.70 5.42 0.00 3.13 3.03 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 43 C 7.55 4.36 0.00 3.15 2.94 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 44 R 8.27 3.78 0.00 1.95 1.16 0.00 3.28 0.00 0.00 3.18 7.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.64 0.00 45 K 8.61 4.45 0.00 1.70 1.70 0.00 1.79 0.00 0.00 1.81 0.00 0.00 3.18 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.30 1.34 7.81 46 H 8.86 4.37 0.00 3.26 3.51 0.00 5.48 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 T 8.95 4.14 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 1.22 0.00 0.00 48 V 8.00 3.94 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 0.76 0.00 0.00 1.00 0.00 0.00 49 H 8.29 4.62 0.00 3.63 3.80 0.00 5.78 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 R 8.28 4.89 0.00 1.83 1.86 0.00 3.30 0.00 0.00 3.40 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.53 0.00 51 E 7.84 4.45 0.00 2.19 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 2.31 2.41 0.00 52 V 8.91 3.25 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 0.96 0.00 0.00 0.97 0.00 0.00 *53 K 8.55 4.13 0.00 1.56 1.61 0.00 1.66 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 * Residues marked with a * may have inaccurate shift predictions.