NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3726 8.3049 120.3282 56.4910 32.5754 174.7210 2 Q 3.2648 8.2593 125.2014 56.1270 26.3349 172.1779 3 K 4.3785 8.3443 118.6162 57.9710 35.6512 175.4842 4 D 4.5724 7.7293 118.5480 53.6709 41.6900 176.3051 5 L 4.2006 8.0897 121.1667 54.7153 42.3382 176.9909 6 H 4.3454 9.0285 122.6944 58.7948 31.5797 175.2840 7 P 4.4330 0.0000 0.0000 63.7637 29.9119 176.9115 8 K 4.2283 8.9841 126.5499 55.3873 34.8275 175.5569 9 A 3.8426 8.1144 121.0592 51.3625 17.4928 176.3003 10 V 4.1734 8.1435 114.0242 64.2329 33.4630 173.9187 11 P 4.1734 0.0000 0.0000 63.1128 31.9725 174.6068 12 C 3.8846 9.7567 112.9456 60.7490 24.8824 174.0369 13 K 4.1522 8.1617 118.0288 57.5051 36.6506 170.9397 14 I 3.1149 8.2514 131.7716 61.7921 36.4175 172.2819 15 I 4.4545 7.6274 118.9970 59.5818 41.1948 172.3460 16 Y 4.3897 8.2207 120.1437 57.1073 39.2411 176.6950 17 Q 4.0337 8.8006 114.7110 56.6666 27.6718 171.2794 18 G 3.5577 6.3607 106.6733 44.3521 0.0000 170.7856 19 Q 5.3251 7.9213 119.2112 53.8893 31.2046 174.7246 20 V 4.2332 8.0745 117.7464 62.1397 32.7484 175.3018 21 V 3.1675 8.3479 121.7806 62.3973 28.9217 170.4839 22 M 4.7423 7.3304 127.9817 55.0294 35.5120 176.2429 23 E 4.4366 8.0777 126.3233 55.3332 29.8311 174.0436 24 T 3.1921 7.8164 119.8729 64.4116 65.4709 170.5535 25 M 4.2238 7.4411 130.3970 54.4911 39.3004 175.3873 26 S 4.5557 8.2024 114.7147 59.4305 65.0643 174.5678 27 T 4.5114 7.4753 110.4776 58.3487 70.6376 173.5967 28 R 3.7909 8.8489 124.9619 56.1883 30.4343 174.7884 29 P 4.6465 0.0000 0.0000 61.6540 33.7472 176.1257 30 E 3.6973 8.8466 119.4850 57.0818 27.8602 176.6819 31 I 3.9170 7.9493 126.3881 58.8174 41.7031 174.1089 32 H 4.5984 8.4892 120.3156 55.7806 27.9588 175.1850 33 V 4.6180 7.0341 116.6941 61.1998 35.2505 173.6995 34 D 4.8585 7.7952 117.6671 53.7006 40.2240 175.0453 35 V 4.7455 6.9245 112.7622 59.6966 36.0804 175.7548 36 W 4.7621 8.8431 120.6504 57.1337 30.1849 177.0342 37 S 4.3715 7.7792 115.5630 59.7916 65.5253 173.8540 38 G 4.1731 7.6732 114.7046 46.7410 0.0000 171.6775 39 V 4.5140 7.8572 118.1478 61.2481 34.6684 174.3140 40 H 5.2051 8.4131 121.0760 53.7163 33.6045 172.2839 41 P 4.9818 0.0000 0.0000 63.1295 32.4944 173.9566 42 F 3.7699 8.7738 118.8286 56.4245 42.4516 171.6457 43 W 5.2309 8.6681 123.6357 57.9034 32.3697 172.0853 44 T 3.6158 9.9616 124.2642 64.5283 67.7816 171.3814 45 G 4.1765 7.9280 112.3753 45.8232 0.0000 171.7671 46 E 4.7561 9.2749 118.6069 56.5109 30.5932 177.2215 47 E 4.7191 9.1820 120.1176 55.3769 33.6514 172.7567 48 R 4.6177 8.1825 122.2948 54.4698 33.2347 174.1276 49 F 3.9975 8.7211 122.8048 60.2051 39.4137 173.6027 50 L 3.2108 8.0226 129.6166 55.2399 38.9289 172.3641 51 D 4.5547 7.5975 120.3891 53.1378 40.4828 176.1626 52 T 4.6727 7.9169 117.4319 64.2147 74.4182 173.4444 53 E 4.7690 8.1217 118.9406 58.6843 37.4300 175.4616 54 G 4.1473 7.9056 105.7331 44.6711 0.0000 173.0926 55 R 4.6455 8.4109 120.2003 56.8182 36.4055 177.6621 56 V 3.2741 7.5406 114.2521 63.4735 32.6917 174.9410 57 D 4.4548 7.9569 119.2481 54.6823 44.7735 173.8844 58 K 4.5747 8.2387 120.3306 58.6403 35.2264 176.4877 59 F 4.5353 8.1098 123.8402 57.8967 40.0292 176.0663 60 N 4.9306 7.2910 112.4009 50.6979 39.5196 173.5507 61 K 4.4842 7.3362 121.8239 57.8046 37.1060 175.5372 62 R 3.8012 7.4573 116.7958 59.2174 30.2229 176.5860 63 F 4.6267 7.1436 116.2783 57.6745 38.9500 177.4849 64 G 4.0855 7.5332 112.8301 44.1740 0.0000 174.6122 65 D 4.5681 7.7733 126.9209 52.6916 42.6327 176.2057 66 S 4.6758 8.1232 113.4489 60.2728 68.4716 175.2960 67 Y 4.3905 8.1005 119.8405 57.4643 35.1429 175.7176 68 R 4.4916 7.4696 120.0872 55.9638 32.6655 177.3091 69 R 4.6043 8.6241 114.0211 56.8281 33.8287 174.1084 70 G 3.3844 7.5369 106.0732 44.2720 0.0000 172.8000 71 S 4.5460 7.3258 119.1391 58.4757 65.5750 175.8012 72 K 4.3359 8.2103 115.6530 56.9625 33.7196 174.9731 73 K 4.0662 8.3615 126.4162 57.2410 32.0298 176.3001 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 8.30 4.37 0.00 2.01 2.11 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 2.51 2.63 0.00 2 Q 8.26 3.26 0.00 2.23 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.83 0.00 0.00 0.00 0.00 0.00 2.26 2.45 0.00 3 K 8.34 4.38 0.00 1.66 1.69 0.00 1.82 0.00 0.00 1.72 0.00 0.00 3.10 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.31 1.38 7.81 4 D 7.73 4.57 0.00 2.72 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.09 4.20 0.00 1.64 1.84 0.96 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 6 H 9.03 4.35 0.00 3.07 3.39 0.00 5.94 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 P 0.00 4.43 0.00 2.32 1.71 0.00 3.75 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.13 0.00 8 K 8.98 4.23 0.00 1.65 1.79 0.00 1.78 0.00 0.00 1.72 0.00 0.00 3.11 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.33 1.48 7.81 9 A 8.11 3.84 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 10 V 8.14 4.17 2.38 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 0.90 0.00 0.00 1.00 0.00 0.00 11 P 0.00 4.17 0.00 2.13 2.06 0.00 3.83 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.21 0.00 12 C 9.76 3.88 0.00 3.19 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 13 K 8.16 4.15 0.00 1.69 1.60 0.00 1.90 0.00 0.00 1.74 0.00 0.00 2.79 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.27 1.29 7.81 14 I 8.25 3.11 1.88 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 1.47 1.30 0.89 0.00 0.00 15 I 7.63 4.45 1.42 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.44 -0.53 0.00 0.00 16 Y 8.22 4.39 0.00 2.85 2.70 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 0.00 0.00 0.00 0.00 17 Q 8.80 4.03 0.00 2.13 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.62 0.00 0.00 0.00 0.00 0.00 2.14 2.51 0.00 18 G 6.36 3.56 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 Q 7.92 5.33 0.00 2.06 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.54 6.78 0.00 0.00 0.00 0.00 0.00 2.29 2.29 0.00 20 V 8.07 4.23 2.20 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 0.86 0.00 0.00 1.03 0.00 0.00 21 V 8.35 3.17 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 0.83 0.00 0.00 0.94 0.00 0.00 22 M 7.33 4.74 0.00 2.10 2.01 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.51 0.00 23 E 8.08 4.44 0.00 1.85 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 2.16 2.25 0.00 24 T 7.82 3.19 4.23 0.00 0.00 0.00 0.00 0.00 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 25 M 7.44 4.22 0.00 1.88 1.85 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.48 0.00 26 S 8.20 4.56 0.00 4.00 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 27 T 7.48 4.51 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 28 R 8.85 3.79 0.00 1.79 1.95 0.00 3.24 0.00 0.00 3.27 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 29 P 0.00 4.65 0.00 2.35 2.03 0.00 3.74 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.92 0.00 30 E 8.85 3.70 0.00 1.86 1.75 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 2.12 1.70 0.00 31 I 7.95 3.92 1.82 0.00 0.00 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 1.40 1.68 0.87 0.00 0.00 32 H 8.49 4.60 0.00 3.41 3.51 0.00 5.70 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 V 7.03 4.62 2.38 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 1.36 0.00 0.00 1.20 0.00 0.00 34 D 7.80 4.86 0.00 2.79 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 35 V 6.92 4.75 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.99 0.00 0.00 36 W 8.84 4.76 0.00 3.25 3.22 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 0.00 37 S 7.78 4.37 0.00 3.88 3.70 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 0.00 0.00 0.00 0.00 38 G 7.67 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 0.00 0.00 0.00 0.00 39 V 7.86 4.51 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 0.89 0.00 0.00 0.93 0.00 0.00 40 H 8.41 5.21 0.00 3.03 3.02 0.00 5.76 0.00 0.00 0.00 0.00 6.71 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 4.98 0.00 2.20 1.85 0.00 3.67 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.25 0.00 42 F 8.77 3.77 0.00 2.69 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 43 W 8.67 5.23 0.00 3.45 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 44 T 9.96 3.62 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 1.28 0.00 0.00 45 G 7.93 4.18 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 0.00 46 E 9.27 4.76 0.00 1.93 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.24 0.00 47 E 9.18 4.72 0.00 1.86 1.77 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 2.19 2.27 0.00 48 R 8.18 4.62 0.00 1.82 1.77 0.00 3.54 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 49 F 8.72 4.00 0.00 3.02 3.06 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 0.00 0.00 0.00 50 L 8.02 3.21 0.00 0.65 1.43 0.65 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 51 D 7.60 4.55 0.00 2.78 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.92 4.67 4.18 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 1.18 0.00 0.00 53 E 8.12 4.77 0.00 1.88 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 2.19 2.20 0.00 54 G 7.91 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 0.00 0.00 0.00 55 R 8.41 4.65 0.00 1.79 1.94 0.00 3.43 0.00 0.00 3.33 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.63 0.00 56 V 7.54 3.27 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 0.83 0.00 0.00 1.05 0.00 0.00 57 D 7.96 4.45 0.00 2.72 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 K 8.24 4.57 0.00 1.72 1.65 0.00 1.80 0.00 0.00 1.62 0.00 0.00 2.78 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.38 7.81 59 F 8.11 4.54 0.00 2.83 2.98 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 0.00 60 N 7.29 4.93 0.00 2.69 2.71 0.00 0.00 6.96 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 61 K 7.34 4.48 0.00 1.69 1.69 0.00 1.81 0.00 0.00 1.93 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.34 1.29 7.81 62 R 7.46 3.80 0.00 1.28 1.68 0.00 3.36 0.00 0.00 3.24 7.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.46 0.00 63 F 7.14 4.63 0.00 2.92 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 64 G 7.53 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 D 7.77 4.57 0.00 2.70 2.66 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 0.00 0.00 0.00 0.00 66 S 8.12 4.68 0.00 3.74 3.88 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 0.00 0.00 0.00 67 Y 8.10 4.39 0.00 2.89 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 R 7.47 4.49 0.00 1.83 1.95 0.00 3.22 0.00 0.00 3.25 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.84 0.00 69 R 8.62 4.60 0.00 1.88 2.03 0.00 3.47 0.00 0.00 3.30 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.83 0.00 70 G 7.54 3.38 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 0.00 0.00 0.00 0.00 0.00 0.00 71 S 7.33 4.55 0.00 3.95 3.84 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 72 K 8.21 4.34 0.00 1.83 1.87 0.00 1.59 0.00 0.00 1.64 0.00 0.00 2.75 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.22 1.33 7.81 73 K 8.36 4.07 0.00 1.75 1.84 0.00 1.81 0.00 0.00 2.14 0.00 0.00 2.85 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.50 1.45 7.81