NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 4.0305 8.3393 109.7410 45.3446 0.0000 174.9107 2 H 4.7508 8.8997 110.7367 55.9222 31.4904 172.9090 3 M 3.9708 9.1028 122.1536 54.8801 33.7183 179.0801 4 V 2.0000 7.2142 113.6670 63.5681 31.7380 178.1331 5 H 4.2954 7.3910 113.1088 56.9534 28.5246 175.4517 6 E 4.4543 7.1589 118.7133 56.1857 30.2718 176.4445 7 W 4.6191 7.6414 119.5923 56.9303 29.0753 175.4817 8 S 4.5323 8.1962 117.5740 59.6383 63.1832 174.9466 9 V 4.5385 7.5556 118.8416 64.3758 36.3529 177.4872 10 Q 3.9765 7.9581 117.7411 58.7770 27.8572 178.1043 11 Q 3.7438 7.9082 117.1376 57.3353 29.1524 177.9554 12 V 3.9384 7.8981 119.0185 63.9526 31.5959 178.5255 13 S 4.0386 7.6032 115.8416 61.6846 62.6817 175.8035 14 H 4.1330 6.9111 119.1487 58.6639 28.6075 177.1215 15 W 4.3542 7.9563 129.4586 60.1717 30.7959 177.5254 16 L 2.9056 7.6059 118.8374 57.8839 41.2830 180.0616 17 V 3.7633 8.2081 117.9629 65.8298 31.1052 178.2246 18 G 3.6624 8.1258 105.4675 46.3018 0.0000 174.1800 19 L 4.3649 7.1460 118.5577 55.1545 40.6744 176.5688 20 S 3.8607 7.6827 111.0492 59.4935 61.3814 169.9493 21 L 4.4876 7.9352 117.5154 54.5746 41.4963 177.9038 22 D 4.4613 8.0590 121.6843 57.6395 40.5407 178.3477 23 Q 4.0142 8.0531 116.6976 59.1321 28.6568 177.5043 24 Y 4.2155 8.4166 118.3799 59.6543 38.1879 177.6520 25 V 3.5248 7.6480 119.7443 66.2396 31.2660 178.0428 26 S 4.1881 8.1702 113.5466 60.8167 62.8835 175.0668 27 E 4.5108 7.9969 120.4660 57.4566 30.7971 177.4644 28 F 4.0607 9.2507 118.4910 60.9965 38.8882 177.7909 29 S 4.4030 8.5185 113.8418 60.8980 62.4287 176.5850 30 A 4.0768 7.8245 123.4095 54.6172 18.2153 178.1176 31 Q 4.3120 7.8429 112.8976 55.2431 29.1783 175.1146 32 N 4.1810 7.6244 114.1395 54.2892 36.3334 175.1281 33 I 3.8396 8.2523 120.0714 61.4213 37.4824 176.6172 34 S 5.2149 9.0102 123.8934 56.8517 66.7661 174.4697 35 G 3.4602 8.7239 106.4405 48.0265 0.0000 175.0897 36 E 3.8981 7.7447 121.3590 59.1137 29.5627 178.2686 37 Q 4.2771 7.9059 116.0611 57.5133 29.2915 177.3874 38 L 3.9148 8.0033 123.0136 58.2802 41.9018 178.9911 39 L 3.8281 7.7459 117.4674 57.2789 41.6270 178.1073 40 Q 4.4488 7.3218 113.3113 55.3975 28.8484 175.5649 41 L 3.9666 7.3753 119.1507 56.0204 42.2120 176.6173 42 D 5.0602 8.3623 121.3237 50.6981 44.0834 176.4911 43 G 3.7157 8.6216 104.8435 48.2431 0.0000 175.1670 44 N 4.3683 8.4606 117.2507 56.0697 38.8844 177.1890 45 K 4.1208 7.9197 118.5986 59.6213 31.9339 179.4962 46 L 4.2021 8.1353 119.1401 57.7836 41.4329 179.7398 47 K 4.2220 8.7719 118.6564 58.8266 31.8896 178.4240 48 A 4.3203 7.8382 118.6843 53.1033 18.4201 178.4211 49 L 4.3010 7.7327 116.2467 54.4331 41.8909 178.5706 50 G 3.9674 8.0517 106.7801 45.9854 0.0000 174.5982 51 M 3.9322 7.8636 119.0735 58.0231 32.3225 177.4951 52 T 3.6004 8.0860 105.0407 62.2609 68.0344 172.1711 53 S 4.2953 8.0519 115.6631 58.8261 63.9088 173.1763 54 S 4.0637 8.8114 123.8702 61.7541 62.1432 175.7130 55 Q 4.0523 8.1872 121.3673 59.6978 28.6184 178.3042 56 D 4.3323 8.1215 118.9200 57.5085 40.7705 178.7496 57 R 3.8870 8.3931 117.5813 58.7408 29.8069 177.9470 58 A 4.4788 7.4378 118.7523 53.5484 19.9902 178.9179 59 L 3.7883 8.1787 119.4660 58.3781 42.3709 179.6063 60 V 3.6532 7.9570 119.2191 64.5960 30.8916 178.0838 61 K 4.2577 7.4616 119.3906 58.8175 32.3182 178.2757 62 K 4.1788 8.0365 120.1301 58.8693 32.1462 178.7155 63 K 4.1616 8.0688 119.8018 59.4334 32.0824 178.6917 64 L 3.9421 8.9101 120.8028 58.4075 40.1182 179.0735 65 K 4.2184 7.6674 118.1305 58.3174 33.0794 177.8572 66 E 4.4963 7.6327 117.4819 56.5342 29.9152 177.3560 67 M 4.0053 7.5134 120.5680 58.5488 31.6508 178.5475 68 K 4.1286 8.0389 118.0565 59.3166 32.5085 177.8954 69 M 4.3992 8.3792 117.5965 56.6227 32.2897 178.3253 70 S 4.3599 7.9059 115.9496 60.9005 62.9270 176.0959 71 L 4.2069 8.1487 122.6265 58.6809 39.9928 178.8903 72 E 4.2435 8.0148 118.7079 59.0771 30.0372 178.2005 73 K 4.1074 7.7717 114.8253 56.5531 32.3797 176.9020 74 A 4.2791 8.3424 126.9200 52.6687 19.2788 176.5069 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 G 8.34 4.03 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 0.00 0.00 0.00 2 H 8.90 4.75 0.00 3.43 3.39 0.00 5.53 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 M 9.10 3.97 0.00 1.69 1.67 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.42 0.00 4 V 7.21 2.00 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 0.00 0.00 -0.12 0.00 0.00 0.51 0.00 0.00 5 H 7.39 4.30 0.00 3.16 3.29 0.00 5.51 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 E 7.16 4.45 0.00 2.06 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 0.00 2.22 1.89 0.00 7 W 7.64 4.62 0.00 3.50 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 8 S 8.20 4.53 0.00 3.91 3.86 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 9 V 7.56 4.54 2.12 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 1.14 0.00 0.00 1.02 0.00 0.00 10 Q 7.96 3.98 0.00 2.19 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.26 6.75 0.00 0.00 0.00 0.00 0.00 2.37 2.32 0.00 11 Q 7.91 3.74 0.00 2.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.31 7.18 0.00 0.00 0.00 0.00 0.00 2.36 2.30 0.00 12 V 7.90 3.94 2.45 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 1.41 0.00 0.00 1.44 0.00 0.00 13 S 7.60 4.04 0.00 3.92 4.08 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 14 H 6.91 4.13 0.00 2.97 3.28 0.00 5.66 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 W 7.96 4.35 0.00 3.57 3.51 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 16 L 7.61 2.91 0.00 1.57 1.41 0.40 -0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 17 V 8.21 3.76 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 0.95 0.00 0.00 0.99 0.00 0.00 18 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 19 L 7.15 4.36 0.00 1.58 1.57 0.51 -0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 20 S 7.68 3.86 0.00 4.01 3.96 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 21 L 7.94 4.49 0.00 1.29 1.21 0.56 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 22 D 8.06 4.46 0.00 2.70 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.05 4.01 0.00 2.17 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.77 0.00 0.00 0.00 0.00 0.00 2.44 2.43 0.00 24 Y 8.42 4.22 0.00 2.96 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 25 V 7.65 3.52 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.86 0.00 0.00 26 S 8.17 4.19 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 27 E 8.00 4.51 0.00 2.07 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 2.51 2.48 0.00 28 F 9.25 4.06 0.00 3.28 3.23 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 29 S 8.52 4.40 0.00 3.99 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 30 A 7.82 4.08 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.84 4.31 0.00 2.01 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 7.14 0.00 0.00 0.00 0.00 0.00 2.44 2.47 0.00 32 N 7.62 4.18 0.00 2.86 2.93 0.00 0.00 6.94 7.33 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 33 I 8.25 3.84 1.89 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.09 0.66 0.00 0.00 34 S 9.01 5.21 0.00 4.37 4.29 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 35 G 8.72 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 0.00 0.00 0.00 36 E 7.74 3.90 0.00 1.91 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 2.31 2.31 0.00 37 Q 7.91 4.28 0.00 2.22 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.65 0.00 0.00 0.00 0.00 0.00 2.57 2.29 0.00 38 L 8.00 3.91 0.00 1.99 1.72 0.76 -0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 39 L 7.75 3.83 0.00 1.59 1.62 0.81 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 40 Q 7.32 4.45 0.00 2.13 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.71 0.00 0.00 0.00 0.00 0.00 2.25 2.44 0.00 41 L 7.38 3.97 0.00 1.73 1.76 1.34 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 42 D 8.36 5.06 0.00 2.81 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 43 G 8.62 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 44 N 8.46 4.37 0.00 3.03 2.92 0.00 0.00 7.33 7.62 0.00 0.00 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 K 7.92 4.12 0.00 1.97 1.81 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.72 7.81 46 L 8.14 4.20 0.00 1.91 1.84 0.95 0.86 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 47 K 8.77 4.22 0.00 1.94 1.89 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.69 7.81 48 A 7.84 4.32 1.36 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 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.73 4.30 0.00 2.23 1.90 0.88 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 50 G 8.05 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 51 M 7.86 3.93 0.00 1.28 1.46 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 1.63 0.00 52 T 8.09 3.60 4.29 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 1.26 0.00 0.00 53 S 8.05 4.30 0.00 4.01 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 54 S 8.81 4.06 0.00 3.95 3.88 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 55 Q 8.19 4.05 0.00 2.17 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.68 0.00 0.00 0.00 0.00 0.00 2.43 2.48 0.00 56 D 8.12 4.33 0.00 3.15 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 57 R 8.39 3.89 0.00 2.01 2.05 0.00 3.36 0.00 0.00 3.30 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.87 0.00 58 A 7.44 4.48 1.35 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 0.00 0.00 0.00 0.00 0.00 0.00 59 L 8.18 3.79 0.00 1.72 1.62 0.91 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 60 V 7.96 3.65 1.80 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 0.68 0.00 0.00 1.04 0.00 0.00 61 K 7.46 4.26 0.00 1.83 2.05 0.00 1.72 0.00 0.00 1.66 0.00 0.00 3.09 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.48 1.51 7.81 62 K 8.04 4.18 0.00 1.91 1.99 0.00 1.71 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.62 1.47 7.81 63 K 8.07 4.16 0.00 2.21 2.33 0.00 1.76 0.00 0.00 1.98 0.00 0.00 3.09 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.66 1.97 7.81 64 L 8.91 3.94 0.00 2.02 2.23 1.02 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 65 K 7.67 4.22 0.00 2.07 1.99 0.00 1.61 0.00 0.00 1.77 0.00 0.00 3.08 0.00 0.00 3.36 0.00 0.00 0.00 0.00 1.75 1.48 7.81 66 E 7.63 4.50 0.00 2.18 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 0.00 2.50 2.39 0.00 67 M 7.51 4.01 0.00 1.80 2.13 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 2.68 0.00 68 K 8.04 4.13 0.00 1.85 1.88 0.00 1.52 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.37 1.47 7.81 69 M 8.38 4.40 0.00 2.23 2.35 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.70 0.00 70 S 7.91 4.36 0.00 3.99 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 71 L 8.15 4.21 0.00 1.56 1.71 0.78 0.77 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 72 E 8.01 4.24 0.00 2.09 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 2.33 2.44 0.00 73 K 7.77 4.11 0.00 1.86 1.88 0.00 1.93 0.00 0.00 1.73 0.00 0.00 3.06 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.49 1.68 7.81 74 A 8.34 4.28 1.36 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 0.00 0.00 0.00 0.00 0.00 0.00