NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2885 8.2931 120.3271 54.0546 34.2921 175.5549 2 G 3.6678 7.9581 103.1845 41.9567 0.0000 170.7603 3 P 4.4705 0.0000 0.0000 65.4173 33.1432 174.5244 4 L 4.2565 7.2844 119.8523 55.2020 45.0884 173.9536 5 Q 4.3323 8.7017 110.0850 56.3344 28.9637 175.6069 6 Y 3.7943 7.8528 119.3184 58.8442 38.6337 174.5906 7 K 4.5376 8.0337 126.9321 55.3338 35.6040 174.4582 8 D 4.2700 8.8410 116.9023 55.1452 37.7087 173.9342 9 L 4.8424 7.8767 123.7651 53.9149 40.4032 176.5305 10 K 4.7612 7.8669 118.3313 56.8485 34.7021 175.7558 11 I 4.6092 7.2451 111.9985 59.8823 37.7723 174.3221 12 D 4.4936 9.1823 115.9950 54.8966 47.3800 176.7243 13 I 3.2358 7.5978 119.9360 60.3200 36.1990 174.2209 14 K 4.0673 8.4066 118.5763 58.4017 31.8846 177.6460 15 T 5.0957 7.0881 108.4542 60.0362 69.4100 176.3561 16 S 4.6949 8.0557 125.6204 57.8252 62.3227 174.2069 17 P 5.2169 0.0000 0.0000 62.4245 31.3396 174.3241 18 P 4.4185 0.0000 0.0000 66.4857 31.5790 175.4771 19 P 4.6359 0.0000 0.0000 61.4349 29.6988 176.2675 20 E 4.9884 8.3610 129.6164 56.7998 28.9844 179.2452 21 C 4.3082 8.1184 115.2718 61.7180 31.1030 176.5229 22 I 3.7554 7.9158 121.3067 63.9363 36.8489 177.6928 23 N 4.2839 7.9438 117.1927 56.2730 37.0879 176.4328 24 D 4.3433 7.7087 118.9576 56.3850 41.4648 177.4928 25 L 4.1915 7.3793 119.6880 57.6071 42.0542 177.8696 26 L 4.1880 9.9235 118.8587 56.6566 42.0048 178.2308 27 Q 4.2378 8.7635 117.3397 57.9779 28.7150 176.6584 28 A 4.7178 7.8732 120.1266 51.4117 20.8223 177.0171 29 V 4.0289 7.0844 113.7770 60.3079 31.6608 175.6732 30 D 4.1345 8.0084 116.2454 55.9389 37.7339 173.4109 31 S 4.6461 7.7693 115.9069 55.7098 63.8039 175.5869 32 Q 3.5771 7.9726 124.5431 59.3051 28.9284 177.5649 33 E 4.0267 8.1623 118.8266 59.0958 29.3549 179.0673 34 V 3.5538 8.7866 119.6151 65.6223 31.5621 178.3515 35 R 3.7769 7.6901 117.3311 59.1472 29.7517 178.1507 36 D 3.8441 9.7799 117.6355 57.2168 40.6402 177.9365 37 Y 3.9272 7.7214 120.0167 60.4929 38.9410 176.5787 38 C 3.2871 8.7711 121.3309 62.2125 31.4748 175.3201 39 E 4.3310 8.5681 115.5065 57.6744 29.5200 177.5049 40 K 4.0925 7.1426 119.6592 58.6340 32.6818 178.1283 41 K 3.8893 8.6087 118.8059 60.3403 32.7938 175.8491 42 G 3.1610 7.7376 107.3656 45.5272 0.0000 173.3111 43 W 4.5403 8.0951 119.4743 58.3428 32.0189 177.8133 44 I 3.3216 8.0722 114.6498 61.6516 33.5175 173.1572 45 V 3.3886 7.0050 113.3202 61.9168 30.5051 175.4149 46 N 4.2551 8.3118 120.0694 52.6463 40.9898 173.9957 47 I 3.8701 8.5475 126.3573 61.8254 38.8627 175.7520 48 T 4.5431 8.0934 120.7460 61.7766 67.9310 172.5844 49 S 4.5777 7.6243 116.6827 58.8327 64.5126 175.8605 50 Q 4.5640 7.3433 119.0735 54.9113 28.5333 174.7456 51 V 3.9478 7.8508 117.9971 64.0336 32.9347 176.3754 52 Q 4.7000 8.2491 124.8638 55.3501 29.8606 174.5111 53 T 4.4556 7.7048 101.3079 61.6493 70.1595 175.0335 54 E 3.7217 8.2610 119.6291 58.1397 27.6164 175.1725 55 R 4.1748 7.6192 117.0643 56.7241 31.6045 176.1259 56 N 4.0529 8.8924 110.7449 54.3703 37.3347 174.5097 57 I 3.8579 7.6337 109.5448 61.2842 37.9567 176.0580 58 N 4.6475 8.2893 117.5906 52.4549 36.7768 174.4597 59 R 4.4645 8.0811 120.6676 55.5317 30.6606 176.1038 60 A 4.2039 7.6736 124.6676 52.0631 19.1984 176.8128 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 8.29 4.29 0.00 2.04 2.14 0.00 0.00 0.00 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.50 0.00 2 G 7.96 3.67 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 0.00 0.00 0.00 3 P 0.00 4.47 0.00 2.25 2.25 0.00 3.92 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.13 0.00 4 L 7.28 4.26 0.00 1.59 1.49 0.91 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 5 Q 8.70 4.33 0.00 2.22 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.12 6.61 0.00 0.00 0.00 0.00 0.00 2.29 2.34 0.00 6 Y 7.85 3.79 0.00 3.05 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 7 K 8.03 4.54 0.00 1.95 1.66 0.00 1.94 0.00 0.00 1.76 0.00 0.00 3.16 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.34 1.56 7.81 8 D 8.84 4.27 0.00 2.81 2.65 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 9 L 7.88 4.84 0.00 1.83 1.87 0.97 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 10 K 7.87 4.76 0.00 1.69 1.75 0.00 1.72 0.00 0.00 1.77 0.00 0.00 2.85 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.32 1.42 7.81 11 I 7.25 4.61 1.87 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 1.31 0.85 0.91 0.00 0.00 12 D 9.18 4.49 0.00 2.60 2.63 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 13 I 7.60 3.24 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.56 0.89 0.00 0.00 14 K 8.41 4.07 0.00 1.70 1.80 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.34 7.81 15 T 7.09 5.10 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 1.21 0.00 0.00 16 S 8.06 4.69 0.00 3.97 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 17 P 0.00 5.22 0.00 2.30 2.44 0.00 3.86 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.16 0.00 18 P 0.00 4.42 0.00 2.23 2.27 0.00 3.78 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 19 P 0.00 4.64 0.00 2.26 2.14 0.00 3.80 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.88 0.00 20 E 8.36 4.99 0.00 2.32 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 0.00 2.55 2.33 0.00 21 C 8.12 4.31 0.00 3.31 3.35 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 22 I 7.92 3.76 1.52 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.26 -0.15 0.67 0.00 0.00 23 N 7.94 4.28 0.00 2.91 3.07 0.00 0.00 5.76 8.11 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 24 D 7.71 4.34 0.00 2.78 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 25 L 7.38 4.19 0.00 1.88 1.76 0.89 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 26 L 9.92 4.19 0.00 1.73 1.71 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 27 Q 8.76 4.24 0.00 2.05 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.52 0.00 0.00 0.00 0.00 0.00 2.38 2.47 0.00 28 A 7.87 4.72 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 29 V 7.08 4.03 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 0.78 0.00 0.00 0.90 0.00 0.00 30 D 8.01 4.13 0.00 2.75 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 0.00 31 S 7.77 4.65 0.00 3.91 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 32 Q 7.97 3.58 0.00 2.14 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.82 6.67 0.00 0.00 0.00 0.00 0.00 2.43 2.47 0.00 33 E 8.16 4.03 0.00 1.99 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 2.39 2.30 0.00 34 V 8.79 3.55 2.17 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 0.99 0.00 0.00 0.73 0.00 0.00 35 R 7.69 3.78 0.00 1.85 1.91 0.00 3.17 0.00 0.00 3.33 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 36 D 9.78 3.84 0.00 2.84 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 37 Y 7.72 3.93 0.00 3.09 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 C 8.77 3.29 0.00 2.70 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.57 4.33 0.00 2.03 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 2.30 2.39 0.00 40 K 7.14 4.09 0.00 1.91 1.70 0.00 1.79 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.31 1.35 7.81 41 K 8.61 3.89 0.00 2.43 2.18 0.00 1.14 0.00 0.00 0.61 0.00 0.00 2.94 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.49 0.98 7.81 42 G 7.74 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.10 4.54 0.00 3.22 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 I 8.07 3.32 1.96 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.44 0.95 0.00 0.00 45 V 7.01 3.39 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 0.88 0.00 0.00 0.78 0.00 0.00 46 N 8.31 4.26 0.00 2.63 2.89 0.00 0.00 7.21 7.98 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 47 I 8.55 3.87 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.80 0.92 0.00 0.00 48 T 8.09 4.54 4.17 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 1.13 0.00 0.00 49 S 7.62 4.58 0.00 3.80 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 50 Q 7.34 4.56 0.00 2.14 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.70 0.00 0.00 0.00 0.00 0.00 2.22 2.34 0.00 51 V 7.85 3.95 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 0.78 0.00 0.00 0.93 0.00 0.00 52 Q 8.25 4.70 0.00 2.04 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.32 0.00 0.00 0.00 0.00 0.00 2.28 2.35 0.00 53 T 7.70 4.46 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 54 E 8.26 3.72 0.00 2.06 1.95 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 2.21 2.22 0.00 55 R 7.62 4.17 0.00 1.97 1.98 0.00 3.26 0.00 0.00 3.18 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 56 N 8.89 4.05 0.00 2.79 2.86 0.00 0.00 6.82 7.94 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 57 I 7.63 3.86 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.71 0.91 0.00 0.00 58 N 8.29 4.65 0.00 2.71 2.82 0.00 0.00 6.70 7.66 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 59 R 8.08 4.46 0.00 1.76 1.90 0.00 3.39 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.57 0.00 60 A 7.67 4.20 1.19 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 0.00 0.00 0.00 0.00 0.00 0.00