NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4513 8.1633 118.3237 55.3327 33.6913 173.3935 2 Q 4.7060 8.1799 117.8770 52.5837 30.8227 173.6457 3 I 4.6359 8.7483 117.1797 58.8950 42.0937 173.7585 4 F 5.4514 8.8619 120.7547 55.6680 42.4598 174.4797 5 V 4.7340 9.1897 123.4446 61.1107 33.9349 174.1258 6 K 5.1326 8.8786 128.1028 54.9381 34.3019 176.2536 7 T 4.7631 8.9421 116.0972 60.7001 70.2561 176.1408 8 L 4.3082 8.1271 121.6969 57.6040 41.7028 178.5693 9 T 4.1431 7.8775 106.7206 61.8193 69.3089 175.2056 10 G 3.8254 8.6152 110.8785 45.7926 0.0000 172.8200 11 K 4.5072 7.9845 120.7875 55.0028 34.1201 175.1660 12 T 5.0732 8.4780 123.2229 61.9687 70.6918 173.5580 13 I 4.5354 8.9769 127.7446 59.8275 39.6031 175.1396 14 T 4.7658 8.6139 123.7538 63.0578 69.7942 174.1689 15 L 4.7682 8.5308 124.2983 52.8628 46.0642 175.3002 16 E 4.7238 8.7170 123.2338 54.9920 30.2873 175.1683 17 V 4.7593 8.5597 119.7249 59.6924 36.0317 174.9631 18 E 4.6814 10.2037 121.9564 54.4656 32.2210 177.6126 19 S 4.1008 8.7049 116.6427 61.2950 62.7166 176.5290 20 S 4.2641 7.9358 113.5820 60.2177 63.5192 174.2740 21 D 4.3860 7.7642 121.7207 54.9905 41.3338 176.6650 22 T 4.6807 8.1936 113.0411 61.3911 71.2378 175.9243 23 I 3.7725 8.3626 122.1768 64.4301 36.8452 178.1950 24 D 4.4121 8.2635 119.3776 57.6791 40.5671 178.6794 25 N 4.3124 7.9035 116.6918 56.6527 39.1311 176.8753 26 V 3.5340 7.6042 119.4404 66.2745 31.4594 178.0472 27 K 4.5010 8.4085 119.4294 59.0176 31.8292 179.3910 28 S 4.1552 7.8287 114.1519 60.9955 62.9946 176.7086 29 K 3.9582 8.0492 122.4803 59.2254 31.7247 179.2266 30 I 3.6595 7.8291 120.1107 64.5385 37.1134 178.0929 31 Q 4.2164 8.2179 121.8633 58.6586 28.5228 178.3965 32 D 4.3120 8.0521 119.0437 57.3491 41.0161 178.3841 33 K 4.1389 8.1006 118.8408 58.6585 32.3038 177.2070 34 E 4.5114 9.0396 116.1227 55.2336 31.7515 176.9344 35 G 3.9890 8.1525 106.7521 45.1242 0.0000 173.8689 36 I 3.8197 7.5069 121.3144 60.3689 37.6706 173.8550 37 P 4.4970 0.0000 0.0000 61.9019 32.1330 175.5416 38 P 4.2605 0.0000 0.0000 65.8643 31.4785 178.2850 39 D 4.4324 8.1919 116.6902 56.9474 40.6942 177.3126 40 Q 4.4643 7.9691 114.7337 55.5077 30.1395 175.4371 41 Q 4.1037 8.0433 119.4933 55.2587 29.0965 174.6818 42 R 4.5610 8.5237 124.1608 54.6766 32.1843 174.0426 43 L 5.2076 8.3670 127.1734 53.2063 44.1121 175.7912 44 I 5.0871 8.5973 116.4027 59.1951 41.1583 174.2267 45 F 5.0239 9.4005 126.7343 57.3559 43.0956 174.0851 46 A 3.5071 8.9902 128.7830 53.0805 15.8050 177.6176 47 G 3.9656 8.3544 107.1648 45.9237 0.0000 173.8034 48 K 4.6498 7.7779 119.0760 54.2616 35.0070 174.7448 49 Q 4.6836 8.4999 123.8170 55.4263 29.9313 175.0478 50 L 3.5131 8.5627 127.8001 54.4297 42.1567 176.2675 51 E 4.4739 9.2405 124.1035 54.7924 31.4201 176.3980 52 D 4.3615 9.2839 123.1352 57.8711 41.2765 178.5360 53 G 3.9585 8.1505 107.6329 48.6224 0.0000 173.5281 54 R 4.3572 7.7981 118.9702 55.2423 31.6051 174.7664 55 T 4.8832 8.0112 108.6231 59.6866 71.6736 174.5516 56 L 4.1994 8.7609 121.1686 58.0549 41.7669 180.2539 57 S 4.1676 8.0687 113.7849 61.4123 62.3504 175.9169 58 D 4.3284 7.4367 120.7441 57.5861 39.6288 177.9268 59 Y 4.5166 7.9570 114.5900 57.2344 37.7423 175.5251 60 N 4.2489 8.2682 117.2505 54.5089 37.9691 174.1156 61 I 3.4418 7.1556 114.6936 60.6959 37.5631 175.5782 62 Q 4.7236 8.1425 123.1043 53.2207 32.0047 174.5587 63 K 4.1967 8.2644 117.8268 58.2309 33.1000 177.4366 64 E 4.0165 9.3130 120.3404 56.5881 28.4285 175.1047 65 S 4.4746 7.5851 115.7311 59.2096 64.2030 173.2611 66 T 5.1043 8.7125 119.1266 62.0471 70.5436 173.9675 67 L 4.8825 9.4015 126.7189 53.5709 45.3154 174.9728 68 H 5.3229 8.6999 115.6342 54.2234 32.9793 172.5199 69 L 5.0185 9.0465 125.5105 53.9849 43.4988 175.6618 70 V 4.6953 8.3542 119.6366 60.0848 35.4344 174.8152 71 L 4.4697 8.0683 118.1720 54.2332 45.2781 175.3114 72 R 4.3771 8.4158 121.4814 55.3561 31.2046 175.9262 73 L 4.7634 8.2512 121.1158 52.7956 44.4473 176.5662 74 R 4.2879 8.3877 119.6723 55.8433 31.0159 176.5689 75 G 3.8968 9.4619 107.0873 46.2575 0.0000 173.9376 76 G 3.7511 8.2979 111.5904 46.4368 0.0000 173.0143 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 8.16 4.45 0.00 2.06 2.21 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.53 0.00 2 Q 8.18 4.71 0.00 1.88 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.72 0.00 0.00 0.00 0.00 0.00 2.22 2.32 0.00 3 I 8.75 4.64 1.80 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.80 0.77 0.00 0.00 4 F 8.86 5.45 0.00 3.02 2.87 0.00 0.00 0.00 0.00 0.00 0.00 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 V 9.19 4.73 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 0.99 0.00 0.00 0.91 0.00 0.00 6 K 8.88 5.13 0.00 1.81 1.75 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.82 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.38 1.36 7.81 7 T 8.94 4.76 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 1.25 0.00 0.00 8 L 8.13 4.31 0.00 1.71 1.79 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.88 4.14 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 1.22 0.00 0.00 10 G 8.62 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 11 K 7.98 4.51 0.00 1.88 1.68 0.00 1.61 0.00 0.00 1.66 0.00 0.00 2.88 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.38 1.42 7.81 12 T 8.48 5.07 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 1.23 0.00 0.00 13 I 8.98 4.54 1.90 0.00 0.00 0.87 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 0.66 0.92 0.00 0.00 14 T 8.61 4.77 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 15 L 8.53 4.77 0.00 1.45 1.43 0.88 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.72 4.72 0.00 1.89 1.82 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 2.17 2.34 0.00 17 V 8.56 4.76 2.02 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 0.68 0.00 0.00 0.87 0.00 0.00 18 E 10.20 4.68 0.00 1.81 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.34 0.00 19 S 8.70 4.10 0.00 3.83 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 20 S 7.94 4.26 0.00 4.01 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 D 7.76 4.39 0.00 2.85 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 T 8.19 4.68 4.25 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 1.22 0.00 0.00 23 I 8.36 3.77 2.16 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 1.77 1.30 0.88 0.00 0.00 24 D 8.26 4.41 0.00 2.72 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 25 N 7.90 4.31 0.00 2.74 2.92 0.00 0.00 6.81 8.81 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 26 V 7.60 3.53 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.91 0.00 0.00 27 K 8.41 4.50 0.00 2.06 1.84 0.00 1.72 0.00 0.00 1.79 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.59 1.45 7.81 28 S 7.83 4.16 0.00 4.03 4.11 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 0.00 0.00 0.00 0.00 29 K 8.05 3.96 0.00 2.03 1.88 0.00 1.64 0.00 0.00 1.61 0.00 0.00 3.17 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.44 1.61 7.81 30 I 7.83 3.66 2.18 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 1.65 1.07 0.91 0.00 0.00 31 Q 8.22 4.22 0.00 2.17 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.82 0.00 0.00 0.00 0.00 0.00 2.36 2.27 0.00 32 D 8.05 4.31 0.00 2.84 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 33 K 8.10 4.14 0.00 1.95 1.83 0.00 1.62 0.00 0.00 1.70 0.00 0.00 3.33 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.52 7.81 34 E 9.04 4.51 0.00 2.01 1.93 0.00 0.00 0.00 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 2.26 0.00 35 G 8.15 3.99 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 0.00 0.00 0.00 36 I 7.51 3.82 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 1.42 1.00 0.91 0.00 0.00 37 P 0.00 4.50 0.00 2.17 1.97 0.00 3.61 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.11 0.00 38 P 0.00 4.26 0.00 2.17 2.11 0.00 3.62 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.12 0.00 39 D 8.19 4.43 0.00 2.66 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 40 Q 7.97 4.46 0.00 2.03 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.86 0.00 0.00 0.00 0.00 0.00 2.30 2.29 0.00 41 Q 8.04 4.10 0.00 2.28 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.74 0.00 0.00 0.00 0.00 0.00 2.36 2.49 0.00 42 R 8.52 4.56 0.00 1.86 1.79 0.00 3.16 0.00 0.00 3.34 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 43 L 8.37 5.21 0.00 1.57 1.50 0.88 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.60 5.09 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 1.34 0.85 0.91 0.00 0.00 45 F 9.40 5.02 0.00 3.02 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 46 A 8.99 3.51 0.60 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 0.00 0.00 47 G 8.35 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 K 7.78 4.65 0.00 1.98 1.89 0.00 1.87 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.45 7.81 49 Q 8.50 4.68 0.00 2.07 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.97 0.00 0.00 0.00 0.00 0.00 2.31 2.54 0.00 50 L 8.56 3.51 0.00 1.35 1.21 0.77 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 51 E 9.24 4.47 0.00 2.07 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 2.31 2.34 0.00 52 D 9.28 4.36 0.00 2.68 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 53 G 8.15 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 0.00 0.00 0.00 54 R 7.80 4.36 0.00 2.01 2.07 0.00 2.86 0.00 0.00 3.19 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 55 T 8.01 4.88 4.53 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 1.22 0.00 0.00 56 L 8.76 4.20 0.00 1.94 1.72 0.89 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.07 4.17 0.00 4.07 4.21 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.44 4.33 0.00 2.80 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 0.00 0.00 0.00 0.00 59 Y 7.96 4.52 0.00 3.17 3.18 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 60 N 8.27 4.25 0.00 2.94 3.13 0.00 0.00 7.12 8.32 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 61 I 7.16 3.44 1.68 0.00 0.00 0.69 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 -0.12 0.58 0.00 0.00 62 Q 8.14 4.72 0.00 2.10 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 7.11 0.00 0.00 0.00 0.00 0.00 2.35 2.52 0.00 63 K 8.26 4.20 0.00 1.81 1.77 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.46 7.81 64 E 9.31 4.02 0.00 2.18 2.31 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 2.40 2.78 0.00 65 S 7.59 4.47 0.00 3.92 3.51 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.71 5.10 4.33 0.00 0.00 0.00 0.00 0.00 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 67 L 9.40 4.88 0.00 1.53 1.58 0.82 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 68 H 8.70 5.32 0.00 3.06 3.13 0.00 5.60 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 9.05 5.02 0.00 1.76 1.56 0.99 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.35 4.70 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 71 L 8.07 4.47 0.00 1.59 1.52 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.42 4.38 0.00 1.80 1.85 0.00 3.15 0.00 0.00 3.23 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 73 L 8.25 4.76 0.00 1.58 1.54 0.96 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 74 R 8.39 4.29 0.00 1.91 1.92 0.00 3.00 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.62 0.00 75 G 9.46 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 76 G 8.30 3.75 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 0.00 0.00 0.00