NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5240 8.1633 120.2749 55.5033 34.2144 173.5348 2 V 4.8482 8.0590 112.6153 58.4064 34.5360 173.8679 3 R 4.6319 9.3101 118.6069 55.3624 33.5652 173.1346 4 D 4.7832 8.4122 120.3637 53.4818 41.9942 175.6173 5 A 3.3609 6.6118 123.2836 50.8523 23.7442 174.4959 6 Y 4.7972 7.8577 116.9032 56.4590 38.7153 175.4954 7 I 4.2022 8.4129 125.2320 61.3347 39.2339 174.3780 8 A 5.3746 8.7401 129.6951 50.2020 22.5926 175.9601 9 D 4.7206 8.2062 118.7801 52.8307 41.4327 176.2235 10 D 4.7009 8.5400 118.6537 54.5037 39.9179 176.5081 11 V 4.3400 7.8565 113.9502 61.3141 32.7173 174.9241 12 N 4.2956 8.2819 114.3336 55.2428 37.2118 173.7373 13 C 4.8226 7.8951 112.9059 54.6279 43.0573 174.8137 14 V 4.2018 7.8721 116.8588 61.3265 32.2787 175.3200 15 Y 4.2836 8.0613 119.9983 56.8444 38.5105 175.4096 16 E 4.3588 8.6925 124.6038 57.2506 30.1321 175.5790 17 C 4.4798 7.6322 115.8134 54.4447 44.2564 173.6048 18 F 4.4981 8.4645 115.9786 56.3014 40.6361 175.9954 19 R 4.9323 7.8246 119.5584 53.6976 34.0961 175.6487 20 D 4.7073 9.1526 122.8633 57.7432 40.9404 179.0288 21 A 4.1204 8.1548 120.7282 55.0887 18.3349 178.8014 22 Y 4.0671 8.1564 117.6213 61.2796 39.0037 179.0090 23 C 4.1091 8.0854 116.5399 59.8952 40.7805 175.5969 24 N 4.3704 8.6480 119.1035 56.7160 38.4470 176.8641 25 E 3.8849 8.2271 119.9022 59.2269 29.3795 178.9633 26 L 3.6327 7.7059 120.5658 58.2455 42.0700 178.4665 27 C 4.1728 8.4493 116.8948 60.2605 40.5977 176.3005 28 T 4.0629 7.8218 112.6291 64.0934 68.1737 176.7688 29 K 3.9923 8.1018 120.7610 58.6084 31.9763 177.8532 30 N 4.7896 7.4175 114.7328 52.7306 38.8541 175.9458 31 G 3.8434 7.9528 108.6935 44.9909 0.0000 174.2217 32 A 4.8719 8.1098 122.5722 51.0400 19.1121 179.0269 33 S 4.1369 8.6343 115.0072 61.2695 63.5137 174.0762 34 S 4.6119 7.6775 113.5708 58.3535 65.6700 174.5607 35 G 4.5709 8.7242 105.7774 46.2647 0.0000 171.6556 36 Y 5.1302 8.6913 117.8438 55.9447 42.2477 172.8843 37 C 4.9049 9.7397 121.1941 55.4725 45.7420 172.5449 38 Q 4.7561 8.9644 129.4190 55.3227 29.8841 174.4445 39 W 4.7641 9.2560 126.2665 55.7502 30.9918 175.8765 40 A 3.7347 8.7917 124.8963 53.2711 15.7678 178.0349 41 G 3.9727 7.5359 109.9125 45.8443 0.0000 175.1337 42 K 3.6037 8.6018 117.7848 59.4303 31.7830 177.8900 43 Y 4.6118 7.6694 113.2371 57.5211 38.8833 177.6255 44 G 3.8249 7.9874 108.8631 45.2212 0.0000 172.9315 45 N 4.7004 8.3525 118.2067 53.3985 39.4065 174.8508 46 A 4.8141 8.6047 122.9916 50.7473 23.4331 174.9396 47 C 4.8008 8.9664 119.5196 56.8080 42.5069 172.4419 48 W 4.5836 8.9612 134.5990 55.6515 32.5572 173.7209 49 C 5.0680 7.9819 124.6428 55.2782 43.8575 172.2807 50 Y 4.9633 8.8664 120.7027 56.7445 39.9708 175.9026 51 A 3.9375 8.9355 126.6264 53.0492 17.0269 176.8159 52 L 4.4105 7.9671 123.7832 54.7632 43.7374 174.9959 53 P 4.8251 0.0000 0.0000 62.8062 32.4540 176.1942 54 D 4.7645 8.6447 122.3655 53.8804 39.6053 176.6933 55 N 4.5545 8.2186 115.2756 53.5002 38.0397 174.6646 56 V 4.1993 7.2295 119.5639 60.4958 33.0246 173.6042 57 P 4.5620 0.0000 0.0000 63.0372 32.3369 175.1510 58 I 5.0634 8.0153 115.1737 58.6899 40.8602 174.9209 59 R 4.2209 8.9083 125.1376 56.6159 30.2876 176.2774 60 V 4.5899 8.8752 119.4587 58.3974 34.8712 173.8555 61 P 4.3412 0.0000 0.0000 63.1207 31.6021 176.0757 62 G 4.1015 8.4281 108.0974 42.7309 0.0000 173.3387 63 K 3.8924 8.2394 119.4831 56.5654 32.3647 177.5790 64 C 4.6223 8.4526 122.6925 55.8655 44.0675 173.5336 65 R 4.1912 8.7722 126.0059 56.3424 29.8060 176.0584 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 4.52 0.00 1.98 2.06 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.58 0.00 2 V 8.06 4.85 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 0.68 0.00 0.00 0.93 0.00 0.00 3 R 9.31 4.63 0.00 1.77 1.92 0.00 2.69 0.00 0.00 3.12 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.45 0.00 4 D 8.41 4.78 0.00 2.70 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 5 A 6.61 3.36 0.89 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 6 Y 7.86 4.80 0.00 3.01 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 7 I 8.41 4.20 1.71 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.28 0.78 0.00 0.00 8 A 8.74 5.37 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 9 D 8.21 4.72 0.00 2.74 2.51 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 10 D 8.54 4.70 0.00 2.79 2.81 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 0.00 0.00 0.00 0.00 11 V 7.86 4.34 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 0.66 0.00 0.00 0.89 0.00 0.00 12 N 8.28 4.30 0.00 2.89 2.89 0.00 0.00 6.88 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 13 C 7.90 4.82 0.00 3.06 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 14 V 7.87 4.20 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 0.50 0.00 0.00 0.87 0.00 0.00 15 Y 8.06 4.28 0.00 3.13 3.04 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 16 E 8.69 4.36 0.00 1.72 1.64 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 2.18 2.18 0.00 17 C 7.63 4.48 0.00 2.89 3.05 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 0.00 0.00 0.00 0.00 18 F 8.46 4.50 0.00 3.13 3.34 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 19 R 7.82 4.93 0.00 1.98 1.95 0.00 3.26 0.00 0.00 3.45 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.89 0.00 20 D 9.15 4.71 0.00 2.84 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 21 A 8.15 4.12 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.16 4.07 0.00 3.13 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 23 C 8.09 4.11 0.00 3.24 3.11 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 24 N 8.65 4.37 0.00 3.05 2.98 0.00 0.00 7.23 7.22 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 25 E 8.23 3.88 0.00 2.09 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 0.00 2.32 2.40 0.00 26 L 7.71 3.63 0.00 1.12 1.41 0.32 0.50 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 27 C 8.45 4.17 0.00 2.92 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 28 T 7.82 4.06 4.22 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 1.26 0.00 0.00 29 K 8.10 3.99 0.00 1.83 1.84 0.00 1.58 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.42 1.55 7.81 30 N 7.42 4.79 0.00 2.74 2.72 0.00 0.00 7.24 7.46 0.00 0.00 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 G 7.95 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 0.00 0.00 0.00 32 A 8.11 4.87 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 33 S 8.63 4.14 0.00 4.02 4.02 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 34 S 7.68 4.61 0.00 4.00 4.06 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 35 G 8.72 4.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.69 5.13 0.00 3.34 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 37 C 9.74 4.90 0.00 3.26 3.46 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.96 4.76 0.00 2.09 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.62 0.00 0.00 0.00 0.00 0.00 2.50 2.50 0.00 39 W 9.26 4.76 0.00 3.28 3.29 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 40 A 8.79 3.73 1.49 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 0.00 0.00 41 G 7.54 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 42 K 8.60 3.60 0.00 1.30 1.22 0.00 1.67 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.27 1.38 7.81 43 Y 7.67 4.61 0.00 2.78 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.99 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 45 N 8.35 4.70 0.00 2.30 2.17 0.00 0.00 6.48 7.35 0.00 0.00 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 8.60 4.81 1.17 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 47 C 8.97 4.80 0.00 2.96 2.97 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 48 W 8.96 4.58 0.00 2.79 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 0.00 0.00 0.00 49 C 7.98 5.07 0.00 2.45 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 50 Y 8.87 4.96 0.00 2.92 2.86 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 51 A 8.94 3.94 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.97 4.41 0.00 1.56 1.51 0.84 0.84 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 53 P 0.00 4.83 0.00 2.24 1.92 0.00 3.69 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.06 0.00 54 D 8.64 4.76 0.00 2.65 2.76 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 0.00 0.00 0.00 0.00 55 N 8.22 4.55 0.00 2.83 2.95 0.00 0.00 6.01 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 56 V 7.23 4.20 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 0.74 0.00 0.00 0.91 0.00 0.00 57 P 0.00 4.56 0.00 2.41 1.96 0.00 3.58 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 58 I 8.02 5.06 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 0.66 0.81 0.00 0.00 59 R 8.91 4.22 0.00 1.80 1.95 0.00 3.28 0.00 0.00 3.03 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.47 0.00 60 V 8.88 4.59 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 0.84 0.00 0.00 0.99 0.00 0.00 61 P 0.00 4.34 0.00 2.09 2.09 0.00 3.71 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 2.09 2.18 0.00 62 G 8.43 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 K 8.24 3.89 0.00 1.73 1.74 0.00 1.74 0.00 0.00 1.62 0.00 0.00 2.99 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.44 7.81 64 C 8.45 4.62 0.00 2.84 2.88 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 65 R 8.77 4.19 0.00 1.86 1.77 0.00 3.22 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.50 0.00