NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 E 4.2609 8.4444 120.2181 56.4481 30.8451 174.4581 4 T 4.1963 8.3541 118.2635 59.5549 69.5292 171.7699 5 K 4.5775 8.5199 127.3943 54.5854 37.0681 174.4987 6 F 5.4483 8.9121 122.7678 55.7959 42.4741 174.6862 7 V 5.1364 9.3111 115.6155 59.6499 36.1606 174.2707 8 Q 5.1367 9.3816 124.6827 54.1726 31.0865 175.0283 9 A 4.8764 8.7294 129.0157 51.9934 19.7802 177.2548 10 L 4.9444 8.9356 119.0932 55.3661 41.4127 175.8822 11 F 5.3688 8.0226 119.4434 57.7550 42.2134 173.2778 12 D 4.3732 8.0247 123.9645 53.7763 41.4083 175.9800 13 F 4.2312 8.4587 124.6812 56.4426 41.1611 173.3858 14 N 4.6368 7.5714 128.1982 50.9130 37.8179 169.9438 15 P 4.1453 0.0000 0.0000 61.4897 32.2469 177.2248 16 Q 4.0102 8.5379 124.4127 57.2288 29.4099 174.7685 17 E 4.7007 7.8060 115.9396 54.4104 32.3357 174.9633 18 S 4.5922 8.1415 114.3571 58.5796 64.6319 173.1416 19 G 4.2591 9.0010 110.6021 45.9780 0.0000 173.6428 20 E 5.9426 7.9448 117.7202 54.2492 30.9270 175.5363 21 L 4.4491 8.8483 125.2522 54.9372 43.3702 175.8245 22 A 4.8890 8.6681 127.1499 50.7282 19.9308 176.1350 23 F 5.0968 8.1120 115.2271 55.9745 41.9907 173.9118 24 K 4.6444 8.6739 117.8224 54.6453 35.0210 175.5931 25 R 4.2142 8.8952 119.5164 57.9721 30.3824 176.6753 26 G 3.9492 9.5320 110.7830 46.2976 0.0000 172.5462 27 D 4.5754 7.7698 119.6790 53.1544 42.2356 175.7770 28 V 4.4216 8.6755 126.7441 63.4083 31.7627 174.6410 29 I 4.4883 9.2513 129.9909 60.0205 39.5106 175.6844 30 T 4.3177 8.9556 124.3928 62.0883 68.8431 173.7341 31 L 4.3067 8.5096 129.4422 56.3826 41.9125 176.8632 32 I 4.1846 9.2065 128.5907 63.5131 38.2564 175.3307 33 N 4.3479 7.4054 116.5294 51.8395 40.1317 174.3342 34 K 4.4583 7.8339 115.8509 55.0034 32.6473 176.8109 35 D 4.4105 8.2555 119.1056 56.5698 41.3812 175.5765 36 D 4.9290 7.9130 117.2505 51.4835 43.3747 174.1831 37 P 4.6823 0.0000 0.0000 65.5723 31.9360 176.6675 38 N 4.5030 8.4023 113.5695 54.0075 41.1061 175.0081 39 W 4.7382 8.8745 120.5809 55.0965 30.7160 175.5478 40 W 5.2073 8.6706 125.9310 54.8962 31.2881 175.2863 41 E 5.1776 9.3599 125.3227 55.8145 30.9845 175.2163 42 G 4.5793 9.7339 111.7727 45.0318 0.0000 171.0682 43 Q 5.1559 9.6215 123.2214 54.4073 31.6854 174.8051 44 L 4.4769 9.2730 128.4372 53.4906 40.5354 175.6094 45 N 4.8169 9.8714 122.9426 53.8367 39.0639 173.6914 46 N 4.5372 8.0412 114.9882 53.0631 45.4512 174.6311 47 R 4.5691 7.6494 115.4606 55.1117 31.4810 176.0056 48 R 5.3780 7.9991 120.3451 53.6925 33.1196 175.4460 49 G 4.4086 7.9343 108.8593 46.4933 0.0000 171.6525 50 I 5.5826 8.4376 114.9044 59.5537 40.7188 174.4762 51 F 4.0391 8.7725 116.4283 55.2426 41.7855 171.5329 52 P 3.8191 0.0000 0.0000 62.2165 30.8535 177.5813 53 S 3.4416 7.9043 120.3771 60.3969 62.5813 176.2894 54 N 3.9359 7.4175 118.4966 56.2508 38.7594 174.3925 55 Y 4.7446 8.1802 115.5833 57.9502 38.0342 175.0810 56 V 4.5690 7.6638 113.3694 61.5002 36.0799 173.7328 57 A 4.3405 9.1217 122.4197 51.1279 22.4302 174.5992 58 P 4.4891 0.0000 0.0000 64.6836 31.4319 175.2169 59 Y 4.4287 9.1363 125.7670 58.9876 39.4783 175.3302 60 N 4.1125 8.6459 115.6300 57.0555 37.6002 174.5256 61 S 3.4428 6.4922 114.4730 57.7613 61.4103 174.6710 62 N 5.3047 9.9694 123.1641 52.9488 38.6025 174.7691 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 3 E 8.44 4.26 0.00 1.89 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 2.17 2.34 0.00 4 T 8.35 4.20 4.23 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 1.42 0.00 0.00 5 K 8.52 4.58 0.00 1.47 1.51 0.00 1.48 0.00 0.00 1.64 0.00 0.00 2.77 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.34 1.30 7.81 6 F 8.91 5.45 0.00 2.99 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 7 V 9.31 5.14 2.25 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 1.10 0.00 0.00 1.24 0.00 0.00 8 Q 9.38 5.14 0.00 2.21 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.80 0.00 0.00 0.00 0.00 0.00 2.26 2.32 0.00 9 A 8.73 4.88 1.65 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 0.00 0.00 0.00 0.00 0.00 0.00 10 L 8.94 4.94 0.00 1.65 1.79 0.92 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 11 F 8.02 5.37 0.00 3.07 2.54 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 12 D 8.02 4.37 0.00 2.31 2.29 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 13 F 8.46 4.23 0.00 1.51 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 14 N 7.57 4.64 0.00 2.36 2.40 0.00 0.00 7.07 7.54 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 15 P 0.00 4.15 0.00 2.27 2.05 0.00 3.60 0.00 0.00 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.28 0.00 16 Q 8.54 4.01 0.00 1.93 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.77 0.00 0.00 0.00 0.00 0.00 2.31 2.40 0.00 17 E 7.81 4.70 0.00 2.17 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 2.22 2.27 0.00 18 S 8.14 4.59 0.00 4.01 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 19 G 9.00 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 0.00 0.00 0.00 0.00 20 E 7.94 5.94 0.00 2.29 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 3.11 2.60 0.00 21 L 8.85 4.45 0.00 1.72 1.74 0.98 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 22 A 8.67 4.89 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 23 F 8.11 5.10 0.00 3.15 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 24 K 8.67 4.64 0.00 1.85 1.95 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.29 1.36 7.81 25 R 8.90 4.21 0.00 1.95 1.93 0.00 3.43 0.00 0.00 3.32 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.69 0.00 26 G 9.53 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 0.00 0.00 0.00 27 D 7.77 4.58 0.00 2.94 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 28 V 8.68 4.42 2.19 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 0.96 0.00 0.00 1.12 0.00 0.00 29 I 9.25 4.49 1.93 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.77 0.85 0.00 0.00 30 T 8.96 4.32 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 0.77 0.00 0.00 31 L 8.51 4.31 0.00 1.56 1.45 1.05 0.59 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 32 I 9.21 4.18 1.90 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.86 0.91 0.00 0.00 33 N 7.41 4.35 0.00 2.65 2.80 0.00 0.00 6.01 7.37 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 34 K 7.83 4.46 0.00 1.28 1.32 0.00 0.73 0.00 0.00 0.61 0.00 0.00 2.15 0.00 0.00 2.66 0.00 0.00 0.00 0.00 0.30 0.30 7.81 35 D 8.26 4.41 0.00 2.67 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 36 D 7.91 4.93 0.00 2.96 2.94 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 37 P 0.00 4.68 0.00 2.16 2.24 0.00 3.81 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.20 0.00 38 N 8.40 4.50 0.00 3.09 2.90 0.00 0.00 6.61 7.48 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 39 W 8.87 4.74 0.00 3.47 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 W 8.67 5.21 0.00 2.73 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 41 E 9.36 5.18 0.00 2.13 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 2.35 2.56 0.00 42 G 9.73 4.58 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 0.00 0.00 0.00 43 Q 9.62 5.16 0.00 2.05 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.81 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 44 L 9.27 4.48 0.00 1.62 1.64 1.27 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 45 N 9.87 4.82 0.00 2.92 3.05 0.00 0.00 7.19 7.82 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 46 N 8.04 4.54 0.00 2.69 2.80 0.00 0.00 7.04 8.45 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 47 R 7.65 4.57 0.00 1.93 2.08 0.00 3.13 0.00 0.00 3.38 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.68 0.00 48 R 8.00 5.38 0.00 1.73 1.93 0.00 3.45 0.00 0.00 4.01 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.54 0.00 49 G 7.93 4.41 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 0.00 50 I 8.44 5.58 2.42 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.39 1.17 0.00 0.00 51 F 8.77 4.04 0.00 2.64 3.06 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 52 P 0.00 3.82 0.00 1.81 1.48 0.00 2.87 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.85 0.00 53 S 7.90 3.44 0.00 2.72 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 7.42 3.94 0.00 2.31 2.49 0.00 0.00 6.73 7.36 0.00 0.00 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 Y 8.18 4.74 0.00 3.25 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 56 V 7.66 4.57 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 0.86 0.00 0.00 0.90 0.00 0.00 57 A 9.12 4.34 1.24 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 0.00 0.00 0.00 58 P 0.00 4.49 0.00 2.07 2.21 0.00 3.73 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 2.21 2.41 0.00 59 Y 9.14 4.43 0.00 2.98 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 60 N 8.65 4.11 0.00 2.93 2.82 0.00 0.00 7.51 8.13 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 61 S 6.49 3.44 0.00 3.40 3.44 0.00 0.00 0.00 0.00 0.00 0.00 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 N 9.97 5.30 0.00 2.66 2.70 0.00 0.00 7.00 7.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00