NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4553 8.3049 120.3433 54.9762 33.7614 173.1707 2 I 3.1818 7.1372 117.4177 59.1584 37.4728 168.4996 3 V 2.9914 8.5737 125.4191 61.7625 32.7955 173.8633 4 P 4.2417 0.0000 0.0000 61.9214 31.8186 176.4664 5 V 3.3779 8.1913 122.1690 64.1669 31.8760 173.0838 6 R 3.6350 8.4352 129.3029 55.7763 29.1023 175.5472 7 C 3.4197 8.6201 122.4369 59.6559 31.7629 173.9302 8 F 4.2501 8.2643 126.4073 61.2392 38.8299 176.9855 9 S 4.3487 8.3228 114.2806 60.6369 63.1861 174.6077 10 C 4.4872 8.1045 113.7709 58.2644 31.0999 174.7010 11 G 3.9786 8.1047 106.3833 44.5615 0.0000 173.7816 12 K 3.7411 8.1467 121.3721 56.5898 32.4567 175.9619 13 V 4.0641 8.3866 119.8206 61.8140 31.8896 176.1330 14 V 4.2851 8.3663 117.1119 61.4777 33.9571 177.8404 15 G 3.8516 8.1617 108.0114 47.7661 0.0000 173.3267 16 D 4.8259 8.0308 117.0751 53.2999 40.0333 177.2858 17 K 4.5173 8.3345 119.1330 56.2370 32.4846 177.7480 18 W 4.3420 8.1853 129.5680 60.3986 31.1630 176.9242 19 E 3.9971 8.3308 118.7661 59.6103 29.0974 178.7773 20 S 4.1073 8.0656 114.5357 61.8466 63.0551 176.0058 21 Y 4.1439 8.0427 122.1295 60.5739 38.6161 177.9145 22 L 3.5508 7.4207 119.5105 56.6738 41.6623 178.6455 23 N 4.2866 7.6352 116.7882 56.1774 39.2129 176.7838 24 L 4.7899 8.0192 122.0562 57.1457 41.7342 179.6629 25 L 3.8056 7.4913 118.6560 57.4964 41.4396 178.9301 26 Q 3.9226 7.6549 118.7759 58.6161 29.0481 177.5303 27 E 3.8492 7.8767 118.1258 59.4857 29.7585 178.0312 28 D 4.6595 8.0514 115.6129 53.2363 41.2641 176.3057 29 E 4.0921 7.2995 116.5106 56.0320 27.6349 175.0013 30 L 4.3879 7.7143 117.6848 54.1533 43.0729 176.4878 31 D 5.0252 8.0810 118.8431 51.6755 42.8261 176.9309 32 E 3.8940 8.8828 121.1070 59.6178 29.4628 179.9732 33 G 3.6644 8.1289 105.5078 48.1938 0.0000 175.5996 34 T 4.1320 7.9090 111.8987 63.2069 69.1702 176.4048 35 A 4.0296 8.7225 125.0902 55.3593 18.4834 179.5274 36 L 3.9097 8.3547 117.4888 57.9945 41.7076 179.7413 37 S 4.1187 8.0747 115.1024 61.9550 62.6298 177.0257 38 R 3.9730 7.8583 119.5569 59.1637 29.9164 177.7482 39 L 4.3168 7.7443 116.0051 54.6920 41.7426 176.9110 40 G 3.7160 7.9906 107.0076 46.8200 0.0000 174.5893 41 L 4.4778 7.6579 121.5338 52.6204 41.1996 176.7691 42 K 4.2161 8.0162 121.8554 58.1242 33.8908 178.1082 43 R 3.8010 7.8387 115.6446 56.1647 30.4325 176.7636 44 Y 4.3207 8.2698 121.2741 59.0277 38.0320 177.9517 45 C 4.1374 7.4139 116.9778 61.9136 28.7348 175.4650 46 C 4.0709 8.0109 119.5304 61.7687 27.7140 176.4660 47 R 3.9583 7.6598 120.3018 59.2212 29.9063 178.9667 48 R 4.0171 8.1292 115.8629 59.5256 28.8762 178.3446 49 M 4.0023 7.4650 118.3512 58.6138 32.4867 177.6383 50 I 4.1764 7.1699 116.7087 63.4005 37.4752 177.9863 51 L 4.2303 7.6397 120.1879 58.3524 41.9942 178.7698 52 T 4.1769 7.7883 114.7053 65.2285 68.7739 175.1167 53 H 4.0451 7.2751 118.9760 56.5202 30.2056 174.1629 54 V 4.1216 8.0234 126.0544 61.2194 32.6608 175.6456 55 D 4.3400 8.0306 128.6419 53.1095 39.7330 176.2385 56 L 3.5914 7.6607 123.2053 56.2778 42.0480 177.8576 57 I 3.8332 7.7838 118.6910 64.3030 37.4226 177.2500 58 E 3.9833 7.4076 118.1850 59.4835 29.2719 179.2488 59 K 4.0924 7.8240 118.0286 58.9475 31.9838 179.5161 60 F 4.9054 7.7132 118.1028 60.5261 38.8038 177.2502 61 L 4.2942 8.0855 117.1438 56.7885 41.5131 178.6723 62 R 4.1276 7.4220 117.4750 57.0835 30.2431 175.7303 63 Y 4.1661 7.2087 117.0211 57.5586 38.4361 174.8919 64 N 4.4403 9.1762 124.3846 56.0263 39.3204 172.6117 65 P 4.4588 0.0000 0.0000 63.0271 31.2995 175.7905 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 4.46 0.00 2.03 2.22 0.00 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.72 0.00 2 I 7.14 3.18 1.86 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 1.19 0.16 0.85 0.00 0.00 3 V 8.57 2.99 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 0.70 0.00 0.00 0.73 0.00 0.00 4 P 0.00 4.24 0.00 1.68 1.80 0.00 3.47 0.00 0.00 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.99 0.00 5 V 8.19 3.38 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 0.75 0.00 0.00 0.89 0.00 0.00 6 R 8.44 3.64 0.00 1.89 1.98 0.00 3.28 0.00 0.00 3.12 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.54 0.00 7 C 8.62 3.42 0.00 2.81 2.90 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 8 F 8.26 4.25 0.00 3.08 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 9 S 8.32 4.35 0.00 3.98 4.05 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 10 C 8.10 4.49 0.00 3.03 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.10 3.98 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 0.00 0.00 0.00 12 K 8.15 3.74 0.00 1.76 1.68 0.00 1.69 0.00 0.00 1.78 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.46 7.81 13 V 8.39 4.06 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 0.73 0.00 0.00 0.91 0.00 0.00 14 V 8.37 4.29 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 0.74 0.00 0.00 0.89 0.00 0.00 15 G 8.16 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 0.00 0.00 0.00 16 D 8.03 4.83 0.00 2.80 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 17 K 8.33 4.52 0.00 1.92 1.86 0.00 1.65 0.00 0.00 1.56 0.00 0.00 3.00 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.37 1.42 7.81 18 W 8.19 4.34 0.00 3.38 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 19 E 8.33 4.00 0.00 2.18 1.95 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 2.40 2.47 0.00 20 S 8.07 4.11 0.00 3.93 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 21 Y 8.04 4.14 0.00 3.01 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 22 L 7.42 3.55 0.00 1.63 1.42 -0.50 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 23 N 7.64 4.29 0.00 2.84 2.78 0.00 0.00 7.24 6.66 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 24 L 8.02 4.79 0.00 1.64 1.66 0.96 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 25 L 7.49 3.81 0.00 1.53 1.46 0.24 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 7.65 3.92 0.00 2.15 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.81 0.00 0.00 0.00 0.00 0.00 2.27 2.32 0.00 27 E 7.88 3.85 0.00 2.24 1.96 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 2.31 2.52 0.00 28 D 8.05 4.66 0.00 2.74 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 29 E 7.30 4.09 0.00 2.16 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 2.22 2.28 0.00 30 L 7.71 4.39 0.00 1.84 1.60 0.91 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 31 D 8.08 5.03 0.00 2.84 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 32 E 8.88 3.89 0.00 2.16 2.24 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 2.54 2.52 0.00 33 G 8.13 3.66 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 0.00 0.00 0.00 34 T 7.91 4.13 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 35 A 8.72 4.03 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.35 3.91 0.00 1.88 1.73 0.99 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 37 S 8.07 4.12 0.00 4.13 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 38 R 7.86 3.97 0.00 1.91 2.12 0.00 3.26 0.00 0.00 3.23 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 39 L 7.74 4.32 0.00 1.82 1.69 1.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 40 G 7.99 3.72 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 0.00 0.00 0.00 41 L 7.66 4.48 0.00 1.74 1.60 0.84 0.80 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 42 K 8.02 4.22 0.00 1.87 1.87 0.00 1.60 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.34 1.40 7.81 43 R 7.84 3.80 0.00 1.83 2.05 0.00 2.88 0.00 0.00 3.28 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 44 Y 8.27 4.32 0.00 3.25 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 45 C 7.41 4.14 0.00 3.14 3.07 0.00 0.00 0.00 0.00 0.00 0.00 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 8.01 4.07 0.00 3.06 2.99 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 47 R 7.66 3.96 0.00 1.97 2.02 0.00 3.22 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.73 0.00 48 R 8.13 4.02 0.00 2.17 2.30 0.00 2.93 0.00 0.00 3.19 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 2.00 0.00 49 M 7.47 4.00 0.00 1.96 2.10 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.41 0.00 50 I 7.17 4.18 1.59 0.00 0.00 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 1.33 1.15 0.28 0.00 0.00 51 L 7.64 4.23 0.00 1.77 1.75 1.07 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 52 T 7.79 4.18 4.34 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 1.27 0.00 0.00 53 H 7.28 4.05 0.00 3.27 3.20 0.00 5.74 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 V 8.02 4.12 2.01 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 0.79 0.00 0.00 1.00 0.00 0.00 55 D 8.03 4.34 0.00 2.70 2.56 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 56 L 7.66 3.59 0.00 1.47 0.74 0.94 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 57 I 7.78 3.83 1.92 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.33 0.90 0.00 0.00 58 E 7.41 3.98 0.00 2.00 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 0.00 2.47 2.55 0.00 59 K 7.82 4.09 0.00 1.68 1.78 0.00 1.53 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.39 7.81 60 F 7.71 4.91 0.00 3.30 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 61 L 8.09 4.29 0.00 1.93 1.78 1.00 0.80 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 62 R 7.42 4.13 0.00 1.88 1.76 0.00 3.26 0.00 0.00 3.16 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.60 0.00 63 Y 7.21 4.17 0.00 3.17 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 64 N 9.18 4.44 0.00 2.68 2.91 0.00 0.00 7.22 7.69 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 0.00 65 P 0.00 4.46 0.00 2.24 2.05 0.00 4.00 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 2.04 2.00 0.00