NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 3.7577 8.2649 123.5021 52.0494 20.1684 176.2374 2 Y 4.9214 7.5707 116.8608 55.8104 41.6054 172.6331 3 K 4.7106 9.0584 121.6651 55.3538 37.0420 176.9263 4 I 4.5393 8.4361 124.2203 60.7196 37.0564 175.8540 5 A 4.3960 9.2126 130.5918 50.7949 19.6834 177.5236 6 D 4.5251 8.8751 117.9226 57.0008 41.2978 177.4785 7 S 4.2055 8.2446 114.1106 61.7496 62.9698 174.7888 8 C 4.0891 8.3255 120.4566 59.8463 31.6371 173.1610 9 V 4.4398 8.0455 119.6028 59.7635 33.5439 177.1793 10 S 4.9315 8.4494 119.3419 59.0984 60.1326 173.8172 11 C 4.2573 7.9480 116.2541 58.2499 31.1203 174.9311 12 G 3.5935 7.7250 108.4230 45.3367 0.0000 173.6840 13 A 4.4165 7.2014 122.9995 50.6472 17.5495 176.0742 14 C 4.6659 7.5405 115.2160 59.1298 36.2053 176.6454 15 A 3.9755 7.2404 121.7665 55.4686 17.9499 178.9083 16 S 4.3484 7.8333 108.1649 60.2401 63.7390 175.2762 17 E 4.0748 8.1378 121.1200 58.7708 29.6851 177.0128 18 C 4.1184 8.0291 119.6227 58.8903 31.8801 172.1966 19 P 4.2015 0.0000 0.0000 65.1966 31.0290 177.3795 20 V 4.1153 7.7665 114.2766 60.3695 31.6932 174.7832 21 N 4.3109 8.1317 117.3713 54.9335 37.9065 173.3410 22 A 4.6760 7.7096 113.8799 51.3681 19.0834 177.8824 23 I 5.2890 7.5092 118.4532 61.6271 41.7635 174.8126 24 S 4.6971 8.4598 117.9102 58.1260 66.8695 174.2243 25 Q 3.7185 8.2770 121.5776 55.1282 28.8656 173.5836 26 G 3.9107 8.0098 113.1480 46.0043 0.0000 173.0849 27 D 4.6637 7.9727 119.2951 54.0452 40.9740 177.1433 28 S 4.4767 8.7764 113.0257 59.1307 67.5378 174.1798 29 I 4.3234 7.3780 113.8642 59.8781 39.7303 174.7054 30 F 4.2590 8.7000 118.6323 58.2021 39.8909 174.8001 31 V 4.6731 8.8713 119.1595 60.6064 35.2551 173.7130 32 I 4.9236 8.0974 120.8742 59.4717 40.1984 176.8900 33 D 4.6365 8.9464 127.0663 53.3569 38.5321 176.7224 34 A 4.0018 8.1306 124.9439 54.8327 18.4440 178.3889 35 D 4.2888 8.0360 115.5256 58.0264 41.2027 178.2409 36 T 4.2734 8.0001 113.6113 63.8150 69.6775 175.2946 37 C 3.9841 6.8917 117.9038 59.6452 31.9997 172.6060 38 I 4.4300 7.9232 119.5110 58.9023 39.3739 176.3989 39 D 4.6308 8.3972 124.2770 55.0514 37.9668 175.4835 40 C 4.3548 8.0983 115.2541 57.9356 31.4962 174.5259 41 G 4.1962 8.4969 108.6690 45.5253 0.0000 173.1951 42 N 4.5345 7.8187 116.3335 54.1933 39.6298 173.6535 43 C 4.1423 8.9439 118.6398 59.7092 29.5349 175.4025 44 A 3.9542 8.0101 122.0443 54.3141 18.2558 178.1029 45 N 4.4302 8.4590 113.9919 56.6440 39.2449 176.4284 46 V 3.7941 7.5752 110.0932 63.5987 32.3385 176.1853 47 C 3.9758 8.2444 121.1965 59.1161 31.5588 172.1616 48 P 4.1737 0.0000 0.0000 65.3884 31.0017 177.4633 49 V 4.2176 7.7238 107.6688 59.9856 32.4468 175.7025 50 G 3.9485 8.0873 107.4832 46.7021 0.0000 174.5853 51 A 4.0957 7.6689 120.0065 53.7033 20.2969 177.0026 52 P 5.1208 0.0000 0.0000 62.8140 28.7032 175.9714 53 V 4.3074 8.9501 115.2854 60.1771 36.8645 172.6744 54 Q 4.5781 8.6559 124.2662 55.1592 30.2849 175.5268 55 E 4.3121 8.5738 119.9233 56.4979 29.7795 175.6356 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 A 8.26 3.76 1.12 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 0.00 0.00 2 Y 7.57 4.92 0.00 2.94 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.06 4.71 0.00 1.89 1.76 0.00 1.55 0.00 0.00 1.78 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.55 7.81 4 I 8.44 4.54 2.11 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.10 1.02 0.00 0.00 5 A 9.21 4.40 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 6 D 8.88 4.53 0.00 2.64 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 7 S 8.24 4.21 0.00 3.90 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 8 C 8.33 4.09 0.00 3.03 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 9 V 8.05 4.44 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 0.80 0.00 0.00 0.95 0.00 0.00 10 S 8.45 4.93 0.00 3.96 4.15 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 11 C 7.95 4.26 0.00 3.04 3.14 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 12 G 7.72 3.59 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 0.00 0.00 0.00 13 A 7.20 4.42 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.54 4.67 0.00 3.02 3.02 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.24 3.98 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 S 7.83 4.35 0.00 3.98 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.14 4.07 0.00 2.08 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 0.00 2.34 2.48 0.00 18 C 8.03 4.12 0.00 2.97 2.84 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 0.00 0.00 0.00 19 P 0.00 4.20 0.00 2.08 2.12 0.00 3.72 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 20 V 7.77 4.12 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 0.70 0.00 0.00 0.93 0.00 0.00 21 N 8.13 4.31 0.00 2.81 2.88 0.00 0.00 7.07 8.70 0.00 0.00 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 7.71 4.68 1.28 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 0.00 0.00 0.00 0.00 0.00 0.00 23 I 7.51 5.29 1.95 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 1.59 0.71 1.19 0.00 0.00 24 S 8.46 4.70 0.00 3.82 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 25 Q 8.28 3.72 0.00 0.93 1.66 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 2.01 1.80 0.00 26 G 8.01 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 D 7.97 4.66 0.00 2.77 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.78 4.48 0.00 3.76 3.85 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 29 I 7.38 4.32 1.96 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.73 0.94 0.00 0.00 30 F 8.70 4.26 0.00 3.02 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 31 V 8.87 4.67 2.15 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 0.71 0.00 0.00 0.97 0.00 0.00 32 I 8.10 4.92 1.89 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.78 0.96 0.00 0.00 33 D 8.95 4.64 0.00 2.68 2.62 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 34 A 8.13 4.00 1.29 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 0.00 0.00 0.00 0.00 0.00 0.00 35 D 8.04 4.29 0.00 2.66 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.00 4.27 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 1.20 0.00 0.00 37 C 6.89 3.98 0.00 2.96 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 I 7.92 4.43 1.85 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 1.40 0.79 0.89 0.00 0.00 39 D 8.40 4.63 0.00 2.65 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 40 C 8.10 4.35 0.00 3.08 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 41 G 8.50 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 N 7.82 4.53 0.00 2.69 2.78 0.00 0.00 6.97 7.65 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 43 C 8.94 4.14 0.00 3.32 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 A 8.01 3.95 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 45 N 8.46 4.43 0.00 2.82 2.87 0.00 0.00 7.28 7.28 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 46 V 7.58 3.79 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 0.75 0.00 0.00 0.98 0.00 0.00 47 C 8.24 3.98 0.00 2.93 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 48 P 0.00 4.17 0.00 2.06 2.12 0.00 3.65 0.00 0.00 3.73 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 49 V 7.72 4.22 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 0.72 0.00 0.00 1.01 0.00 0.00 50 G 8.09 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 0.00 0.00 0.00 51 A 7.67 4.10 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 52 P 0.00 5.12 0.00 2.00 2.15 0.00 3.67 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.17 0.00 53 V 8.95 4.31 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.00 0.00 0.95 0.00 0.00 54 Q 8.66 4.58 0.00 2.24 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.83 0.00 0.00 0.00 0.00 0.00 2.38 2.45 0.00 55 E 8.57 4.31 0.00 2.08 1.88 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 2.18 2.27 0.00