NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 M 4.4599 8.2893 120.3275 54.1783 33.4097 175.1189 8 P 4.2347 0.0000 0.0000 62.3340 31.7526 173.6242 9 Q 4.7546 8.5353 119.8246 54.3298 32.5093 175.8312 10 F 4.5767 8.3543 123.6339 56.5364 42.3492 173.3071 11 N 4.5245 7.5819 125.2689 51.6831 39.4649 174.9509 12 L 4.3398 7.9016 123.1355 54.0670 42.8915 177.2529 13 R 4.4365 8.0531 120.2200 54.6989 30.4935 173.7944 14 W 5.1552 8.0807 122.5079 53.0042 33.0409 173.7664 15 P 4.3938 0.0000 0.0000 62.8445 31.5471 176.9646 16 R 3.8789 9.0336 123.1087 59.8566 29.8896 177.9020 17 E 4.1046 8.2299 118.2587 59.2704 29.5855 178.7245 18 V 3.6063 7.8419 118.2645 66.0006 31.5622 177.8484 19 L 4.1944 8.1247 119.5365 58.1746 41.9276 178.5277 20 D 4.4036 8.2640 119.2549 57.0815 40.6738 178.4151 21 L 3.9643 8.1473 121.1553 58.0585 42.0453 179.1775 22 V 3.6266 8.2719 118.6205 65.8815 31.4506 178.2852 23 R 3.8564 7.8544 117.5698 59.0009 29.9391 178.7466 24 K 3.8221 8.0973 119.3964 59.7538 32.0077 178.9938 25 V 3.4778 7.6952 116.8177 65.6302 31.6219 177.5327 26 A 3.5433 7.8635 121.0522 54.8739 18.2152 179.1960 27 E 3.8574 8.1817 118.1251 59.2601 29.5774 178.4750 28 E 4.1971 7.9815 115.2485 57.9994 29.7431 177.4478 29 N 4.8622 7.7801 116.2799 51.9807 39.8815 174.1873 30 G 3.8309 8.9205 108.9029 46.2580 0.0000 173.1254 31 M 4.8368 7.6358 114.1082 52.2224 34.7844 174.9012 32 S 4.4505 8.3493 114.3188 57.8422 65.5008 175.2689 33 V 3.6873 8.2469 121.7555 66.2682 31.3496 177.6573 34 N 4.3866 8.2277 116.3161 56.6021 38.7969 176.6092 35 S 4.4450 7.8045 115.4109 60.8801 63.2800 175.8790 36 Y 4.1658 8.1872 122.3252 60.9873 38.5354 178.3575 37 I 3.7055 8.0876 120.7141 64.3081 37.1391 177.8046 38 Y 3.9744 7.7698 119.2378 60.6147 38.5548 177.9393 39 Q 3.9448 8.2799 120.4712 59.0076 28.9683 177.7592 40 L 3.7022 7.2813 119.9921 58.2248 42.4762 178.8913 41 V 3.4710 7.8685 118.2273 66.2543 31.5594 177.9246 42 M 4.2415 7.9334 118.4299 58.3297 31.7714 178.2549 43 E 4.2797 8.4090 118.2504 58.1500 29.5893 178.8619 44 S 4.1390 7.3901 113.2107 60.6778 63.1525 176.0072 45 F 4.3456 7.4097 119.3339 59.3187 38.6809 175.3141 46 K 4.2235 7.7848 122.5706 56.4013 32.0769 176.1091 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 7 M 8.29 4.46 0.00 2.04 2.07 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.54 0.00 8 P 0.00 4.23 0.00 2.31 2.11 0.00 3.74 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.05 0.00 9 Q 8.54 4.75 0.00 2.01 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.72 0.00 0.00 0.00 0.00 0.00 2.19 2.29 0.00 10 F 8.35 4.58 0.00 2.99 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 11 N 7.58 4.52 0.00 2.38 2.50 0.00 0.00 7.10 7.85 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 12 L 7.90 4.34 0.00 1.05 0.60 -0.14 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 13 R 8.05 4.44 0.00 1.69 1.85 0.00 3.19 0.00 0.00 3.24 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.65 0.00 14 W 8.08 5.16 0.00 3.29 2.96 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 15 P 0.00 4.39 0.00 2.25 2.22 0.00 3.85 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.93 0.00 16 R 9.03 3.88 0.00 1.93 2.04 0.00 3.20 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.76 0.00 17 E 8.23 4.10 0.00 2.13 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 2.39 2.44 0.00 18 V 7.84 3.61 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.88 0.00 0.00 19 L 8.12 4.19 0.00 1.99 1.91 0.90 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 20 D 8.26 4.40 0.00 2.94 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.15 3.96 0.00 1.88 1.86 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 22 V 8.27 3.63 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 1.32 0.00 0.00 23 R 7.85 3.86 0.00 2.06 1.95 0.00 3.19 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 1.65 1.94 0.00 24 K 8.10 3.82 0.00 1.80 1.94 0.00 1.62 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.43 7.81 25 V 7.70 3.48 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 0.75 0.00 0.00 0.91 0.00 0.00 26 A 7.86 3.54 1.24 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 0.00 0.00 0.00 27 E 8.18 3.86 0.00 2.16 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 2.29 2.34 0.00 28 E 7.98 4.20 0.00 2.16 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 0.00 2.46 2.33 0.00 29 N 7.78 4.86 0.00 2.89 2.97 0.00 0.00 6.96 7.76 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 30 G 8.92 3.83 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 0.00 0.00 0.00 31 M 7.64 4.84 0.00 2.14 2.09 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.71 0.00 32 S 8.35 4.45 0.00 4.09 4.04 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 33 V 8.25 3.69 2.10 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 1.06 0.00 0.00 0.94 0.00 0.00 34 N 8.23 4.39 0.00 2.89 2.82 0.00 0.00 7.19 7.63 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 35 S 7.80 4.44 0.00 4.10 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 36 Y 8.19 4.17 0.00 3.11 3.19 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 37 I 8.09 3.71 1.99 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.95 1.04 0.00 0.00 38 Y 7.77 3.97 0.00 3.32 3.15 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 0.00 0.00 0.00 0.00 39 Q 8.28 3.94 0.00 2.33 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.54 0.00 0.00 0.00 0.00 0.00 2.30 2.38 0.00 40 L 7.28 3.70 0.00 1.52 1.63 0.64 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 41 V 7.87 3.47 1.89 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 0.84 0.00 0.00 0.89 0.00 0.00 42 M 7.93 4.24 0.00 2.04 1.99 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.17 0.00 43 E 8.41 4.28 0.00 1.90 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 2.46 2.42 0.00 44 S 7.39 4.14 0.00 3.81 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 45 F 7.41 4.35 0.00 3.24 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 46 K 7.78 4.22 0.00 1.88 1.72 0.00 1.75 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.41 7.81