NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.4042 8.1927 115.2895 58.2085 64.8071 175.6523 4 V 3.4062 7.8158 119.8126 65.4215 31.3306 174.2997 5 E 3.9190 8.9851 119.1297 59.8587 29.8297 178.5401 6 D 4.4474 8.1217 118.0312 57.4139 40.8431 179.2103 7 R 3.9018 8.0814 118.5766 59.1202 30.1056 178.8770 8 V 3.5783 8.2512 118.3715 66.5862 31.4499 178.0378 9 T 4.1921 8.4264 116.8020 66.1630 68.1824 176.3143 10 Q 3.9529 8.2229 121.3158 59.1469 29.1020 178.2572 11 L 3.9627 7.9982 120.0518 57.8495 41.5055 179.3863 12 E 4.0453 8.4433 118.7159 59.2978 29.4596 179.6334 13 R 3.9289 7.9552 118.1542 59.4506 30.0924 179.2601 14 I 3.7263 8.0392 119.9010 64.0082 36.9597 178.3653 15 S 3.9964 8.4078 114.5277 61.4262 62.2474 175.6669 16 N 4.2432 8.2914 119.4478 56.7659 38.6375 176.6115 17 A 4.0298 7.9252 121.8051 55.5272 18.3876 179.3768 18 H 4.2397 8.5817 115.0920 58.9216 28.7612 178.1415 19 S 4.1335 8.4382 117.3770 61.8100 62.7529 176.7725 20 Q 3.9846 8.0769 120.5148 58.9623 28.4602 178.8199 21 L 4.1439 8.1076 121.3045 58.1295 42.0688 178.9078 22 L 4.0223 8.2982 119.4256 58.0915 41.5517 179.4625 23 T 3.8465 7.9347 112.9894 65.0903 67.2340 176.3474 24 Q 3.9861 7.9892 120.0444 59.0111 28.6867 178.8082 25 L 3.9847 8.3813 120.4299 57.6505 41.6115 179.1899 26 Q 3.9565 8.3124 119.7478 59.3658 28.9771 178.6127 27 Q 3.9728 8.0205 118.7958 59.1793 28.7141 178.8017 28 Q 4.0295 8.2300 119.0487 58.9137 28.7223 178.9223 29 L 3.9910 8.3190 120.6661 57.8141 41.6749 179.7658 30 S 4.1657 8.1290 114.2824 61.5436 63.0135 176.2920 31 D 4.3841 8.2274 122.5167 57.1727 40.4328 178.4868 32 N 4.9109 8.3524 118.6823 55.4915 38.4463 177.2299 33 Q 3.9458 8.2081 121.1948 59.3247 29.2487 178.5962 34 S 4.1011 8.0905 116.0697 61.6424 62.7402 176.1377 35 D 4.4071 8.5400 121.9397 57.7831 40.5695 179.2701 36 I 3.7224 8.0813 120.2296 64.4521 37.0801 178.1412 37 D 4.3462 8.3162 119.8885 57.4833 40.6225 178.9219 38 S 4.1065 7.9820 113.1034 61.3353 62.4029 176.2274 39 L 4.0011 7.8784 121.6633 57.7501 41.2610 179.4990 40 R 3.9991 8.3413 119.0747 59.1445 29.9979 178.7893 41 G 3.5702 8.2004 105.7200 47.9476 0.0000 175.7942 42 Q 4.0269 8.1454 120.5108 58.5535 28.6849 178.8642 43 I 3.6636 7.8722 121.0581 64.1710 37.1419 178.1091 44 Q 3.5892 8.1053 120.5284 59.2217 28.8658 178.2571 45 E 3.9531 8.0690 119.4169 59.5906 29.4019 179.2224 46 N 4.3385 8.1884 116.4645 56.2195 38.4671 177.3110 47 Q 3.9010 7.9543 121.0758 59.2878 29.1346 177.8065 48 Y 4.4396 7.6083 117.7990 61.2799 37.9224 178.6658 49 Q 4.0564 8.3406 118.9908 58.9029 28.7632 178.5728 50 L 3.9871 8.2965 121.6986 58.0786 42.0165 178.6032 51 N 4.3207 8.5216 116.8183 56.5636 38.5337 177.0634 52 Q 3.9490 8.1926 120.7013 59.1062 29.0241 178.5100 53 V 3.5621 7.8798 119.2371 65.9833 31.6396 178.1456 54 V 3.5616 8.1105 118.3619 65.9893 31.3656 177.4449 55 E 3.9287 8.3990 119.2202 59.4877 29.4832 178.8842 56 R 3.9699 8.2608 118.6243 59.2836 30.0630 178.4523 57 Q 4.0255 8.3646 118.5107 58.8208 28.6622 178.7641 58 K 3.9638 8.1908 119.5046 59.6565 32.0179 179.4244 59 Q 4.0272 7.9055 117.8721 58.8262 28.5138 178.7471 60 I 3.6980 7.8898 120.9024 64.3540 37.1724 178.4123 61 L 3.9865 8.0525 119.7945 57.9499 41.4832 179.7117 62 L 4.1985 7.9599 118.8606 57.6599 41.4576 179.3747 63 Q 3.9757 8.2292 119.8945 59.0888 28.9427 178.2051 64 I 3.7183 8.1100 121.2724 64.4271 36.9127 178.0371 65 D 4.3594 7.8895 118.5545 57.5100 40.8796 178.8214 66 S 4.2699 8.1676 115.4399 61.6719 62.6549 176.6184 67 L 3.9994 8.0601 120.6462 58.1202 41.4744 179.6736 68 S 4.2629 8.2109 113.9201 60.4635 62.7476 175.1204 69 S 4.5143 7.6780 121.0757 58.4267 63.1676 173.6940 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 S 8.19 4.40 0.00 3.87 3.92 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 4 V 7.82 3.41 2.08 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 0.79 0.00 0.00 0.93 0.00 0.00 5 E 8.99 3.92 0.00 2.09 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 2.40 2.47 0.00 6 D 8.12 4.45 0.00 2.83 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 7 R 8.08 3.90 0.00 2.04 1.96 0.00 3.14 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.75 0.00 8 V 8.25 3.58 2.26 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 1.10 0.00 0.00 0.97 0.00 0.00 9 T 8.43 4.19 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 1.20 0.00 0.00 10 Q 8.22 3.95 0.00 2.24 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.43 0.00 11 L 8.00 3.96 0.00 1.96 1.69 1.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 12 E 8.44 4.05 0.00 2.13 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 2.32 2.49 0.00 13 R 7.96 3.93 0.00 2.02 1.96 0.00 3.23 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 14 I 8.04 3.73 1.79 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.95 0.67 0.00 0.00 15 S 8.41 4.00 0.00 3.90 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 16 N 8.29 4.24 0.00 2.98 2.92 0.00 0.00 7.16 7.57 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 17 A 7.93 4.03 1.38 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 18 H 8.58 4.24 0.00 3.33 3.34 0.00 5.65 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 19 S 8.44 4.13 0.00 3.99 3.92 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 20 Q 8.08 3.98 0.00 2.22 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.81 0.00 0.00 0.00 0.00 0.00 2.58 2.52 0.00 21 L 8.11 4.14 0.00 1.77 1.80 0.98 0.54 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 22 L 8.30 4.02 0.00 1.86 1.70 0.95 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 23 T 7.93 3.85 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 1.28 0.00 0.00 24 Q 7.99 3.99 0.00 2.31 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.65 0.00 25 L 8.38 3.98 0.00 1.78 1.71 0.91 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 8.31 3.96 0.00 2.15 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 27 Q 8.02 3.97 0.00 2.29 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.57 0.00 0.00 0.00 0.00 0.00 2.56 2.55 0.00 28 Q 8.23 4.03 0.00 2.23 2.15 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 2.38 2.55 0.00 29 L 8.32 3.99 0.00 1.86 1.71 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 30 S 8.13 4.17 0.00 4.06 4.12 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 31 D 8.23 4.38 0.00 2.89 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 32 N 8.35 4.91 0.00 2.93 2.86 0.00 0.00 6.36 8.38 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 33 Q 8.21 3.95 0.00 2.12 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 34 S 8.09 4.10 0.00 4.08 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 35 D 8.54 4.41 0.00 2.83 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 36 I 8.08 3.72 2.01 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.69 0.90 0.00 0.00 37 D 8.32 4.35 0.00 2.87 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 38 S 7.98 4.11 0.00 3.91 3.99 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 39 L 7.88 4.00 0.00 1.89 1.68 0.91 0.78 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 40 R 8.34 4.00 0.00 1.85 2.04 0.00 3.09 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 41 G 8.20 3.57 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 42 Q 8.15 4.03 0.00 2.23 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.76 0.00 0.00 0.00 0.00 0.00 2.37 2.64 0.00 43 I 7.87 3.66 1.95 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 1.37 0.84 0.85 0.00 0.00 44 Q 8.11 3.59 0.00 2.19 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.80 0.00 0.00 0.00 0.00 0.00 2.24 1.94 0.00 45 E 8.07 3.95 0.00 2.09 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 0.00 2.42 2.51 0.00 46 N 8.19 4.34 0.00 2.86 2.83 0.00 0.00 6.67 7.24 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 47 Q 7.95 3.90 0.00 2.09 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.26 2.42 0.00 48 Y 7.61 4.44 0.00 3.19 2.95 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 49 Q 8.34 4.06 0.00 2.23 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.80 0.00 0.00 0.00 0.00 0.00 2.43 2.54 0.00 50 L 8.30 3.99 0.00 1.74 1.83 0.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 51 N 8.52 4.32 0.00 3.06 2.91 0.00 0.00 6.65 8.38 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 52 Q 8.19 3.95 0.00 2.16 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 53 V 7.88 3.56 2.23 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 1.04 0.00 0.00 1.00 0.00 0.00 54 V 8.11 3.56 2.23 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 0.95 0.00 0.00 1.01 0.00 0.00 55 E 8.40 3.93 0.00 2.25 1.94 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 2.31 2.37 0.00 56 R 8.26 3.97 0.00 2.04 2.04 0.00 3.20 0.00 0.00 3.17 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.71 0.00 57 Q 8.36 4.03 0.00 2.30 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.57 0.00 0.00 0.00 0.00 0.00 2.38 2.61 0.00 58 K 8.19 3.96 0.00 1.99 1.86 0.00 1.67 0.00 0.00 1.65 0.00 0.00 3.10 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.68 7.81 59 Q 7.91 4.03 0.00 2.24 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.58 0.00 60 I 7.89 3.70 2.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.82 0.91 0.00 0.00 61 L 8.05 3.99 0.00 1.85 1.72 0.92 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 62 L 7.96 4.20 0.00 1.87 1.71 0.95 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 63 Q 8.23 3.98 0.00 2.16 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 64 I 8.11 3.72 2.04 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.55 0.91 0.00 0.00 65 D 7.89 4.36 0.00 2.85 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 66 S 8.17 4.27 0.00 4.03 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 67 L 8.06 4.00 0.00 1.76 1.74 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 68 S 8.21 4.26 0.00 4.02 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 69 S 7.68 4.51 0.00 3.97 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