NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.4862 8.0393 114.0033 61.7791 33.2155 174.0698 2 R 4.4625 8.3260 117.6170 54.9292 33.1337 171.8648 3 D 4.9385 8.6645 122.0127 53.2414 42.8706 176.8588 4 A 2.7460 6.7644 123.3669 50.8671 23.8578 174.3036 5 Y 5.0415 7.9078 116.4878 57.1045 38.9113 175.7625 6 I 4.2251 8.4688 125.0847 60.9995 38.9474 174.6024 7 A 5.0703 8.7228 130.3042 50.3244 21.1196 176.3582 8 A 4.3923 8.7789 124.7752 49.2734 20.8974 175.0887 9 P 4.3479 0.0000 0.0000 63.1060 31.7537 175.6803 10 H 4.5385 8.1789 119.2072 54.5284 30.9004 173.2535 11 N 4.1639 8.6437 124.8936 55.1753 37.0791 174.0091 12 C 4.9800 7.7049 113.8572 54.8394 43.6688 174.9042 13 V 4.1846 7.9138 116.1661 61.4382 32.8099 175.2918 14 Y 4.4862 8.5375 119.8272 56.7123 38.8563 175.6463 15 E 4.7028 8.8549 124.3209 56.6722 30.5985 175.4346 16 C 4.7723 8.4433 113.9990 54.2111 44.5273 173.6207 17 A 4.6040 8.3953 122.5482 52.1879 20.7712 176.9299 18 R 4.9690 7.5662 113.8797 53.6803 34.2392 176.0640 19 N 4.6196 9.0978 119.0079 56.5303 38.5587 177.3818 20 E 3.9812 8.3318 120.3132 59.2629 29.7368 178.0285 21 Y 4.1067 7.7769 118.3315 61.0853 38.8176 177.6649 22 C 4.0890 8.2115 116.8853 59.7593 41.4829 175.4329 23 N 4.2708 8.3642 118.9290 56.5047 38.5433 176.5368 24 D 4.1871 8.2105 119.6365 57.1719 41.4147 177.8725 25 L 3.6434 7.5023 120.7443 58.2509 41.9860 178.3927 26 C 4.1781 8.2537 116.9452 60.2464 40.1401 176.2897 27 T 4.0299 8.2557 112.9295 63.7756 68.1987 176.5112 28 K 4.1326 7.9658 120.4120 58.6771 32.7025 177.8043 29 N 4.7843 7.2519 115.9945 52.8564 38.8868 175.6744 30 G 3.8562 7.9842 108.9854 44.7684 0.0000 174.0878 31 A 4.6722 7.7461 121.6671 50.7694 19.4312 178.7890 32 K 4.0437 8.8946 121.6296 59.5651 32.9860 176.5848 33 S 4.6315 7.7679 112.3518 58.5661 65.9363 174.4954 34 G 4.4802 9.3624 106.7968 46.2597 0.0000 171.7405 35 Y 5.0154 8.2196 117.3892 55.8370 42.0436 172.8838 36 C 4.4975 9.2498 121.2491 55.9846 45.5312 172.7230 37 Q 4.5442 8.8745 129.1780 54.8372 28.7359 175.9745 38 W 4.3704 9.1764 127.5354 58.0345 29.8454 177.4475 39 V 4.4724 7.5271 111.0774 59.5831 33.8813 174.9723 40 G 4.0427 8.2379 111.7502 45.0663 0.0000 173.3069 41 K 3.7581 9.1550 119.6981 59.0532 31.9440 177.0131 42 Y 4.6573 7.7791 114.0032 57.2034 38.9461 177.6824 43 G 3.8918 8.0281 109.3901 45.1904 0.0000 173.1397 44 N 4.5567 9.0911 119.3890 54.1271 39.3340 175.9673 45 G 4.3829 8.4353 113.5063 46.2400 0.0000 171.2106 46 C 4.9848 8.6068 118.9387 56.3072 42.6985 172.6043 47 W 4.8427 8.8254 133.7873 55.6205 32.7673 173.6599 48 C 5.1812 8.3141 124.3864 55.1416 43.2632 172.7086 49 I 4.5978 8.4819 123.3740 59.8398 38.7787 175.9112 50 E 3.6655 9.0732 127.7918 57.1801 27.4007 174.4220 51 L 4.3227 7.9857 121.3921 53.4631 43.4322 174.3384 52 P 4.5636 0.0000 0.0000 62.7321 31.8300 176.4985 53 D 4.6932 8.5332 119.3789 54.1563 39.4900 176.5063 54 N 4.6002 7.9443 116.2793 53.1675 38.1302 174.7086 55 V 4.2584 7.1362 119.8838 60.3531 33.1430 173.5310 56 P 4.6085 0.0000 0.0000 62.9142 32.4261 175.0492 57 I 5.0105 7.9941 114.2623 58.6733 41.0801 174.7110 58 R 4.0925 8.7242 124.5052 56.4704 30.1301 176.1484 59 V 4.5987 8.6485 119.2415 58.2418 35.2076 173.6167 60 P 4.3589 0.0000 0.0000 63.6093 31.6530 176.4281 61 G 3.8227 8.1529 107.2851 43.9038 0.0000 172.6042 62 K 4.5069 8.0729 118.7048 54.9022 34.4950 176.4565 63 C 4.8421 8.7769 121.1644 56.1815 44.1938 173.0741 64 H 4.4495 8.8286 122.2629 55.9609 28.1951 173.0009 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 V 8.04 4.49 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 0.87 0.00 0.00 0.97 0.00 0.00 2 R 8.33 4.46 0.00 1.75 1.93 0.00 2.88 0.00 0.00 3.29 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.75 0.00 3 D 8.66 4.94 0.00 2.70 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 A 6.76 2.75 0.93 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 0.00 0.00 0.00 0.00 0.00 5 Y 7.91 5.04 0.00 2.88 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 6 I 8.47 4.23 1.75 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.90 0.80 0.00 0.00 7 A 8.72 5.07 1.20 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 8 A 8.78 4.39 0.32 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 9 P 0.00 4.35 0.00 1.85 1.96 0.00 3.53 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.89 0.00 10 H 8.18 4.54 0.00 2.49 2.95 0.00 5.76 0.00 0.00 0.00 0.00 6.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 N 8.64 4.16 0.00 2.92 2.91 0.00 0.00 6.92 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 12 C 7.70 4.98 0.00 2.78 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 13 V 7.91 4.18 2.12 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 0.21 0.00 0.00 0.90 0.00 0.00 14 Y 8.54 4.49 0.00 2.97 3.03 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 0.00 0.00 0.00 15 E 8.85 4.70 0.00 1.87 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 2.49 2.32 0.00 16 C 8.44 4.77 0.00 2.99 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 17 A 8.40 4.60 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 18 R 7.57 4.97 0.00 1.96 1.89 0.00 3.21 0.00 0.00 3.39 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.66 0.00 19 N 9.10 4.62 0.00 2.88 3.01 0.00 0.00 6.71 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 20 E 8.33 3.98 0.00 2.14 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 2.42 2.48 0.00 21 Y 7.78 4.11 0.00 3.12 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 22 C 8.21 4.09 0.00 3.12 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 23 N 8.36 4.27 0.00 2.95 2.81 0.00 0.00 6.81 8.01 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 24 D 8.21 4.19 0.00 2.78 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 25 L 7.50 3.64 0.00 1.16 1.35 0.31 -0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 26 C 8.25 4.18 0.00 2.91 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 27 T 8.26 4.03 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 1.32 0.00 0.00 28 K 7.97 4.13 0.00 1.88 1.99 0.00 1.48 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.60 1.38 7.81 29 N 7.25 4.78 0.00 2.84 2.79 0.00 0.00 7.25 7.53 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 30 G 7.98 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 A 7.75 4.67 1.23 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 0.00 0.00 0.00 32 K 8.89 4.04 0.00 1.77 1.85 0.00 1.85 0.00 0.00 1.78 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.39 7.81 33 S 7.77 4.63 0.00 4.06 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 34 G 9.36 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.22 5.02 0.00 3.30 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 36 C 9.25 4.50 0.00 2.89 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.87 4.54 0.00 2.08 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.54 0.00 0.00 0.00 0.00 0.00 1.82 2.37 0.00 38 W 9.18 4.37 0.00 3.51 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 V 7.53 4.47 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.99 0.00 0.00 40 G 8.24 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 0.00 0.00 0.00 41 K 9.15 3.76 0.00 1.72 1.88 0.00 1.72 0.00 0.00 1.54 0.00 0.00 2.87 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.43 1.21 7.81 42 Y 7.78 4.66 0.00 2.26 2.58 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 0.00 0.00 0.00 43 G 8.03 3.89 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 0.00 0.00 0.00 44 N 9.09 4.56 0.00 2.83 2.82 0.00 0.00 6.65 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 45 G 8.44 4.38 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 46 C 8.61 4.98 0.00 2.94 2.92 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 47 W 8.83 4.84 0.00 2.79 1.85 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 48 C 8.31 5.18 0.00 2.54 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 49 I 8.48 4.60 1.91 0.00 0.00 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 1.37 1.22 0.96 0.00 0.00 50 E 9.07 3.67 0.00 2.09 1.97 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 2.23 2.37 0.00 51 L 7.99 4.32 0.00 1.53 1.51 0.81 0.95 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 52 P 0.00 4.56 0.00 2.33 1.92 0.00 3.67 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.04 0.00 53 D 8.53 4.69 0.00 2.76 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 54 N 7.94 4.60 0.00 2.83 2.95 0.00 0.00 5.98 7.68 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 55 V 7.14 4.26 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 0.78 0.00 0.00 0.89 0.00 0.00 56 P 0.00 4.61 0.00 2.21 2.14 0.00 3.42 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.07 0.00 57 I 7.99 5.01 1.89 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 1.20 0.72 0.81 0.00 0.00 58 R 8.72 4.09 0.00 1.60 1.72 0.00 3.08 0.00 0.00 2.86 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 59 V 8.65 4.60 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 0.83 0.00 0.00 0.97 0.00 0.00 60 P 0.00 4.36 0.00 2.09 2.08 0.00 3.72 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 2.11 2.24 0.00 61 G 8.15 3.82 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 0.00 0.00 0.00 62 K 8.07 4.51 0.00 1.86 1.80 0.00 1.57 0.00 0.00 1.61 0.00 0.00 3.01 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.30 1.43 7.81 63 C 8.78 4.84 0.00 2.93 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 64 H 8.83 4.45 0.00 3.21 3.17 0.00 5.84 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00