NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1A P 4.3468 0.0000 0.0000 62.6184 32.7622 175.1889 1B T 4.3609 8.1405 115.3834 60.1644 69.8600 171.4401 1C G 3.9260 8.6945 110.7161 46.3209 0.0000 172.9857 1D N 4.5577 7.9982 118.5382 52.1634 38.9466 174.9134 1 N 4.3174 8.7994 124.6037 56.4201 38.6436 177.1131 2 A 3.9903 7.9506 122.0696 54.9944 18.1861 179.4372 3 E 3.9793 7.9794 116.3433 58.7040 29.7704 178.7143 4 I 4.1982 7.4599 118.7577 63.4737 38.1092 178.6606 5 C 4.4449 8.3989 115.9663 59.5145 40.1074 174.6871 6 L 4.4608 7.5568 116.8007 54.4268 41.4611 176.6586 7 L 4.3300 7.5368 119.5225 53.3324 42.3826 175.1593 8 P 4.4036 0.0000 0.0000 61.7696 32.2221 175.8833 9 L 3.2392 7.9373 121.3034 55.6672 41.8185 176.3456 10 D 4.4525 7.9546 122.9810 52.5294 43.1319 175.4888 11 Y 4.5440 8.3720 125.7271 59.1887 38.2536 177.6568 12 G 4.3211 8.4620 108.5695 44.1542 0.0000 171.2090 13 P 4.5069 0.0000 0.0000 63.7772 32.3022 177.1026 14 C 4.5725 7.8303 116.9348 57.0094 40.8665 173.4778 15 R 4.6379 8.2202 118.1974 56.0871 30.4518 176.3611 16 A 4.4054 7.6937 120.8498 51.0067 21.4359 177.6016 17 L 4.7835 8.1059 117.4859 52.7813 42.1668 174.6817 18 L 4.5805 9.0036 121.9698 52.5013 43.9790 175.4705 19 L 4.4122 8.5368 126.7643 55.3703 42.7646 175.9191 20 R 4.9325 8.6331 124.3021 54.8901 35.3298 173.3100 21 Y 5.6809 9.4336 117.1284 56.7888 41.6728 174.9061 22 Y 5.5387 9.2490 119.6775 55.5641 42.3172 173.3348 23 Y 4.5278 9.8576 123.1393 57.2065 40.5135 173.5121 24 D 4.9357 8.1102 127.8713 52.4201 42.0243 177.2298 25 R 3.8183 8.3868 123.5371 58.7064 29.9342 177.4731 26 Y 4.3809 7.7182 116.0455 59.8314 38.0674 176.1722 27 T 4.3181 7.7918 107.1924 60.5704 70.0464 174.1076 28 Q 3.3017 7.6236 119.9918 55.1550 26.9998 173.1836 29 S 4.7432 6.6314 109.4575 57.1273 67.2534 173.9281 30 C 4.8025 8.7743 119.4035 59.5068 28.4871 173.2624 31 R 4.9093 8.6764 123.1100 54.2879 33.5267 175.3640 32 Q 4.7667 8.7325 119.8510 55.7172 30.1902 174.9016 33 F 5.1297 9.3929 116.5689 55.7700 42.4837 172.9734 34 L 4.8303 8.6068 118.4563 53.1494 43.0266 175.9383 35 Y 4.6595 8.6734 126.9085 56.9191 40.0165 176.4642 36 G 4.1146 8.1575 112.4285 46.3217 0.0000 175.1043 37 G 4.0023 6.8419 107.3413 45.3633 0.0000 172.2849 38 C 4.9587 7.0478 111.8903 54.7538 45.4061 175.9669 39 E 3.3058 9.3995 120.0742 58.1704 28.2486 176.3712 40 G 4.0176 9.1649 114.6393 46.6516 0.0000 170.0202 41 N 4.9403 8.2698 118.6496 51.1596 40.4863 174.1170 42 A 3.9145 8.3743 119.4285 54.1371 18.9792 177.9807 43 N 4.4956 7.9616 116.5269 50.9024 37.1791 174.2957 44 N 4.6485 6.1257 113.7784 53.0471 40.6084 173.0894 45 F 4.8071 8.9044 124.5743 55.5839 42.5870 176.3794 46 Y 4.4536 8.6547 120.3053 60.5152 38.3743 176.5504 47 T 4.6794 7.6978 108.9753 58.5888 73.1980 174.2783 48 W 3.3418 7.7219 131.6525 60.3165 30.6517 177.7879 49 E 3.6740 8.2889 118.4999 59.1523 29.0248 178.4599 50 A 3.8404 7.8018 120.6140 55.2157 18.4684 179.0026 51 C 2.4500 7.1947 116.6581 62.0950 31.3031 175.2261 52 D 3.7880 7.0632 118.2690 57.2107 40.6701 177.7166 53 D 4.3346 7.7545 118.0363 57.3887 40.9361 178.3568 54 A 4.2012 7.8380 120.1359 54.2626 18.3242 177.4337 55 C 4.6962 7.4661 113.8920 56.2276 40.9170 175.5477 56 W 4.1146 8.3927 119.7500 58.7760 28.0495 176.3878 57 R 3.9941 6.3511 117.2564 53.8893 32.1829 173.6939 58 I 4.2812 7.9401 124.8554 59.4629 39.9525 175.2808 59 E 4.1761 8.5977 123.7027 56.4054 29.7140 175.8297 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 1A P 0.00 4.35 0.00 2.04 2.03 0.00 3.58 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.06 0.00 1B T 8.14 4.36 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 1C G 8.69 3.93 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 0.00 1D N 8.00 4.56 0.00 2.79 2.71 0.00 0.00 7.07 6.71 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 1 N 8.80 4.32 0.00 2.69 2.72 0.00 0.00 6.96 7.89 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 2 A 7.95 3.99 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 3 E 7.98 3.98 0.00 2.18 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 0.00 2.32 2.48 0.00 4 I 7.46 4.20 2.03 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.19 1.03 0.00 0.00 5 C 8.40 4.44 0.00 2.76 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 L 7.56 4.46 0.00 1.79 1.66 0.88 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 7 L 7.54 4.33 0.00 1.66 1.56 0.96 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 8 P 0.00 4.40 0.00 2.06 2.00 0.00 3.75 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.90 0.00 9 L 7.94 3.24 0.00 0.88 1.09 -1.27 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 10 D 7.95 4.45 0.00 2.57 2.46 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 11 Y 8.37 4.54 0.00 3.12 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 12 G 8.46 4.32 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 0.00 13 P 0.00 4.51 0.00 2.18 2.19 0.00 3.93 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.15 0.00 14 C 7.83 4.57 0.00 2.88 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 15 R 8.22 4.64 0.00 1.73 1.86 0.00 3.17 0.00 0.00 3.21 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.55 0.00 16 A 7.69 4.41 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 17 L 8.11 4.78 0.00 1.43 1.50 0.86 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 18 L 9.00 4.58 0.00 1.71 1.65 0.96 0.51 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 19 L 8.54 4.41 0.00 1.61 1.60 0.79 0.93 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 20 R 8.63 4.93 0.00 0.78 1.75 0.00 3.14 0.00 0.00 3.19 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.37 0.00 21 Y 9.43 5.68 0.00 3.15 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 22 Y 9.25 5.54 0.00 3.13 2.85 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 23 Y 9.86 4.53 0.00 3.00 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 24 D 8.11 4.94 0.00 2.61 2.33 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 0.00 25 R 8.39 3.82 0.00 1.81 2.04 0.00 2.21 0.00 0.00 2.73 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.78 0.00 26 Y 7.72 4.38 0.00 3.16 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 27 T 7.79 4.32 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 1.28 0.00 0.00 28 Q 7.62 3.30 0.00 2.21 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.69 0.00 0.00 0.00 0.00 0.00 2.41 2.21 0.00 29 S 6.63 4.74 0.00 3.92 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 30 C 8.77 4.80 0.00 2.67 2.80 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 0.00 0.00 0.00 31 R 8.68 4.91 0.00 1.25 1.85 0.00 3.17 0.00 0.00 3.11 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.42 0.00 32 Q 8.73 4.77 0.00 1.95 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.78 0.00 0.00 0.00 0.00 0.00 1.63 1.80 0.00 33 F 9.39 5.13 0.00 3.09 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 34 L 8.61 4.83 0.00 1.40 1.52 0.87 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 35 Y 8.67 4.66 0.00 2.33 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 36 G 8.16 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 0.00 0.00 0.00 37 G 6.84 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.05 4.96 0.00 3.05 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 39 E 9.40 3.31 0.00 2.19 1.60 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 2.25 2.31 0.00 40 G 9.16 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 0.00 0.00 0.00 41 N 8.27 4.94 0.00 2.71 2.75 0.00 0.00 5.84 7.26 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 42 A 8.37 3.91 1.22 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 0.00 0.00 43 N 7.96 4.50 0.00 2.91 2.85 0.00 0.00 6.90 7.25 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 44 N 6.13 4.65 0.00 2.55 2.37 0.00 0.00 7.08 7.02 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 45 F 8.90 4.81 0.00 3.23 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 46 Y 8.65 4.45 0.00 3.16 3.12 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 0.00 0.00 0.00 0.00 47 T 7.70 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 1.34 0.00 0.00 48 W 7.72 3.34 0.00 2.90 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 49 E 8.29 3.67 0.00 2.27 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 2.53 0.00 50 A 7.80 3.84 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.19 2.45 0.00 2.65 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 52 D 7.06 3.79 0.00 1.58 1.99 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 53 D 7.75 4.33 0.00 2.63 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 54 A 7.84 4.20 1.15 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 55 C 7.47 4.70 0.00 2.69 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 0.00 0.00 0.00 0.00 56 W 8.39 4.11 0.00 3.55 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 57 R 6.35 3.99 0.00 0.67 0.66 0.00 2.56 0.00 0.00 2.92 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 1.10 0.00 58 I 7.94 4.28 1.69 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.59 0.78 0.00 0.00 59 E 8.60 4.18 0.00 1.82 1.74 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 2.05 2.10 0.00