NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.4030 8.3601 120.1933 55.1452 42.7553 174.4572 2 A 3.6735 8.4810 124.6803 53.0827 15.2738 174.1006 3 E 4.3204 7.6901 114.8312 56.3177 31.5930 176.3211 4 F 4.4357 7.7802 113.0456 57.2092 38.9889 174.5385 5 R 4.8442 8.2807 121.3760 56.3307 30.2528 174.7495 6 H 4.9965 8.9264 107.4421 54.8667 29.2106 175.0109 7 D 4.4285 8.0453 120.8110 54.5046 39.8749 177.0955 8 S 4.6285 7.8672 119.9312 57.7032 63.9867 173.2838 9 G 4.3612 9.3455 114.8707 46.3923 0.0000 175.4301 10 Y 4.6392 7.0969 119.7591 55.9199 39.1918 174.2315 11 E 4.6212 7.6223 115.6067 54.7253 32.5240 174.5568 12 V 3.7117 8.2828 122.1477 63.6312 32.0000 174.8298 13 H 5.1470 8.5344 122.2974 55.8746 30.5239 174.6770 14 H 4.8289 7.7852 115.6137 55.2573 29.6064 175.9057 15 Q 4.1988 7.8690 116.9758 57.5297 29.2243 178.8585 16 K 4.3924 8.1387 118.5542 58.9858 31.9746 178.3130 17 L 3.8510 7.6741 120.3878 58.6208 41.8294 179.1515 18 V 3.2379 7.5966 111.1999 64.7382 31.3945 178.3649 19 F 4.4032 6.9270 116.2570 60.6559 38.7731 177.1903 20 F 4.3493 8.7176 119.7793 59.2736 39.4155 175.2154 21 A 4.4807 7.4135 117.6785 54.3720 20.5072 177.9512 22 E 3.9458 8.2259 117.1313 59.7121 29.3686 179.5198 23 D 4.3675 8.7204 119.4938 56.3771 39.3926 179.0747 24 V 3.6988 7.7013 113.4906 64.0494 31.4078 178.5051 25 G 3.6183 7.7954 104.0105 47.3879 0.0000 175.2137 26 S 4.6591 8.0568 114.9067 56.3625 63.8467 173.8005 27 N 4.4477 6.8881 117.3226 53.5835 37.8271 175.1464 28 K 4.3079 8.6508 116.2408 56.0945 32.4869 176.0744 29 G 3.9410 9.1232 103.2549 46.9403 0.0000 173.5241 30 A 3.8028 8.0933 118.2383 52.6348 16.3534 180.0956 31 I 3.7145 7.7613 121.8885 65.5694 37.3269 178.2542 32 I 3.5606 7.9517 119.5716 63.2358 37.8463 176.2094 33 G 3.7762 7.5982 107.0067 45.1965 0.0000 173.2966 34 L 3.4510 7.6444 119.7390 55.7990 40.7423 174.7946 *36 V 4.1362 7.7325 118.6694 62.6745 33.4769 175.6670 37 G 3.5262 7.7641 108.2408 44.9668 0.0000 173.8456 38 G 4.1426 7.6264 101.9259 44.5105 0.0000 174.3445 39 V 4.1056 7.8452 112.0541 62.5815 32.5425 175.4425 40 V 3.6498 7.8895 123.2338 63.0357 32.3427 171.7821 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 D 8.36 4.40 0.00 2.66 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.48 3.67 1.61 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 0.00 0.00 0.00 0.00 0.00 0.00 3 E 7.69 4.32 0.00 1.93 1.92 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 2.24 2.28 0.00 4 F 7.78 4.44 0.00 2.98 2.99 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 5 R 8.28 4.84 0.00 1.86 1.87 0.00 3.19 0.00 0.00 3.35 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.74 0.00 6 H 8.93 5.00 0.00 3.41 3.38 0.00 5.19 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 7 D 8.05 4.43 0.00 2.87 2.82 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 0.00 0.00 0.00 8 S 7.87 4.63 0.00 4.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.35 4.36 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 0.00 10 Y 7.10 4.64 0.00 2.86 2.95 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.62 4.62 0.00 2.08 1.79 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 2.22 2.21 0.00 12 V 8.28 3.71 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 0.82 0.00 0.00 0.91 0.00 0.00 13 H 8.53 5.15 0.00 3.11 3.25 0.00 5.59 0.00 0.00 0.00 0.00 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 H 7.79 4.83 0.00 3.14 3.13 0.00 5.73 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 15 Q 7.87 4.20 0.00 2.04 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.02 0.00 0.00 0.00 0.00 0.00 2.09 2.28 0.00 16 K 8.14 4.39 0.00 1.87 1.93 0.00 1.67 0.00 0.00 1.69 0.00 0.00 2.85 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.57 1.55 7.81 17 L 7.67 3.85 0.00 1.31 1.51 0.71 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 18 V 7.60 3.24 1.62 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 0.58 0.00 0.00 -0.49 0.00 0.00 19 F 6.93 4.40 0.00 3.18 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 20 F 8.72 4.35 0.00 3.13 3.30 0.00 0.00 0.00 0.00 0.00 0.00 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 7.41 4.48 1.32 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 0.00 0.00 22 E 8.23 3.95 0.00 2.09 2.06 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 2.31 2.31 0.00 23 D 8.72 4.37 0.00 2.82 3.10 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 24 V 7.70 3.70 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 0.90 0.00 0.00 0.92 0.00 0.00 25 G 7.80 3.62 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 0.00 0.00 0.00 26 S 8.06 4.66 0.00 3.86 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 27 N 6.89 4.45 0.00 2.79 2.88 0.00 0.00 6.62 8.45 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 28 K 8.65 4.31 0.00 1.89 1.97 0.00 1.64 0.00 0.00 1.97 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.35 1.38 7.81 29 G 9.12 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 0.00 0.00 0.00 30 A 8.09 3.80 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 31 I 7.76 3.71 1.86 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 1.18 1.06 0.90 0.00 0.00 32 I 7.95 3.56 1.85 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 1.31 0.72 0.90 0.00 0.00 33 G 7.60 3.78 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 0.00 0.00 0.00 34 L 7.64 3.45 0.00 1.88 1.69 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 *36 V 7.73 4.14 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 0.86 0.00 0.00 0.94 0.00 0.00 37 G 7.76 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.63 4.14 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 0.00 0.00 0.00 39 V 7.85 4.11 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 0.76 0.00 0.00 0.96 0.00 0.00 40 V 7.89 3.65 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 0.73 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.