NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 S 4.4219 8.1933 115.4124 57.8421 64.8735 175.1382 9 I 3.7067 7.2899 123.0041 63.4859 36.2721 175.9973 10 A 4.0373 8.1600 121.6868 55.1061 18.4152 178.7276 11 Q 4.2583 7.9573 117.1660 58.5934 29.3548 177.4312 12 A 3.9881 8.1016 121.8690 55.1043 18.3922 179.4622 13 R 3.8757 7.8294 116.1888 59.5779 30.1478 179.2357 14 K 3.8861 7.5385 118.1595 59.5799 32.0011 178.9662 15 L 3.9565 7.6114 120.4844 58.6694 41.6757 178.7944 16 V 3.7797 7.5889 118.4008 65.5862 31.4100 177.4337 17 E 4.0832 8.2056 118.6673 58.1742 29.7965 178.5544 18 Q 4.1726 8.0828 120.6214 58.7536 29.4675 177.5726 19 L 4.0498 7.7038 119.9556 57.2361 41.3448 179.0046 20 K 3.8397 8.1150 119.6354 60.7720 32.2480 177.7517 21 M 4.1156 8.1772 118.8549 56.7806 31.4655 178.2096 22 E 3.8811 8.0382 120.9256 60.0128 30.2495 179.4990 23 A 4.2056 7.7700 118.1584 53.8995 18.7414 176.9865 24 N 4.7561 8.4599 115.4948 53.6012 39.1488 175.2127 25 I 4.3197 7.5478 110.6036 59.1619 39.8794 174.6126 26 D 4.5761 8.3848 121.4272 52.3488 39.5059 176.6223 27 R 4.4285 8.2399 123.6608 54.8631 31.9291 175.1136 28 I 4.7336 7.6914 118.1686 59.0071 41.2275 175.7680 29 K 4.3789 8.2087 120.7659 55.5089 34.2201 178.2672 30 V 3.5784 8.4404 122.5118 66.2239 31.3695 178.6128 31 S 4.0962 7.9953 113.3295 61.4383 62.9430 176.4030 32 K 3.9060 8.0773 121.8123 58.9747 31.7277 178.8373 33 A 3.9864 8.2352 120.8251 55.2430 18.2817 179.6201 34 A 3.9431 8.3232 119.1128 55.1842 18.5328 179.6849 35 A 3.9889 8.1374 119.2658 55.2457 18.3344 179.7552 36 D 4.2985 7.9855 117.0249 57.4598 41.0332 178.4689 37 L 3.9886 7.6107 119.3246 58.4666 41.8383 179.2355 38 M 4.0080 8.2757 117.3873 58.9012 32.0842 178.1321 39 A 4.1147 8.2358 120.6865 54.7416 18.5562 178.7188 40 Y 3.8625 8.1331 118.3820 61.1719 38.5973 177.8991 41 C 3.9809 8.3853 117.4376 63.1516 28.1376 175.9860 42 E 3.8050 7.8349 118.3473 59.3912 29.3060 178.5177 43 A 4.1619 7.8862 119.1769 54.0472 18.7433 177.7301 44 H 4.6164 7.6011 113.0613 55.5546 29.5711 175.7214 45 A 4.2036 7.5829 125.7287 54.3420 18.9367 180.6503 46 K 3.8191 8.1591 114.4527 59.6250 32.1806 177.6646 47 E 4.1251 7.5534 115.9620 57.9083 30.0997 176.0756 48 D 4.5667 7.7270 118.7364 52.7097 39.8134 174.7402 49 P 4.8467 0.0000 0.0000 64.1730 31.5413 177.8517 50 L 4.2750 7.7620 116.8920 55.8161 41.9023 177.3816 51 L 4.5400 8.3283 117.9132 55.2011 43.2429 176.4478 52 T 4.4653 7.4130 114.4502 60.1676 69.3987 171.0752 53 P 4.2523 0.0000 0.0000 62.9007 32.0662 176.3630 54 V 4.4402 7.8436 113.3003 58.4863 34.4447 174.0299 55 P 4.3062 0.0000 0.0000 62.7841 31.9097 177.8876 56 A 3.9745 9.0225 124.2514 56.0736 18.8170 181.4104 57 S 3.7791 7.2651 111.0478 61.5101 63.1605 175.4052 58 E 3.9537 7.5028 117.8410 57.4177 29.9982 176.2122 59 N 4.5474 8.0876 118.5201 52.2277 38.6014 173.6200 60 P 4.2463 0.0000 0.0000 65.4413 31.4954 177.4267 61 F 4.3714 8.3625 114.5641 57.4571 38.5446 175.4883 62 R 4.5331 7.7331 117.3655 57.0636 32.4619 176.0113 63 E 4.6531 7.7558 113.7322 55.6567 31.6170 175.9416 64 K 4.0449 7.8738 119.9490 56.2928 32.9878 175.7956 65 K 4.3635 7.9215 122.1822 57.7257 34.4518 176.7456 66 F 4.6254 7.5017 112.2789 56.0390 38.9297 175.4196 67 F 4.6262 8.8088 121.9868 57.8035 39.6732 174.6924 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 8 S 8.19 4.42 0.00 4.02 4.17 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.29 3.71 1.87 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 1.57 1.17 0.91 0.00 0.00 10 A 8.16 4.04 1.32 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 11 Q 7.96 4.26 0.00 2.17 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.85 0.00 0.00 0.00 0.00 0.00 2.39 2.47 0.00 12 A 8.10 3.99 1.37 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 0.00 0.00 0.00 0.00 0.00 0.00 13 R 7.83 3.88 0.00 1.98 2.02 0.00 3.13 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 14 K 7.54 3.89 0.00 2.17 1.85 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.45 7.81 15 L 7.61 3.96 0.00 1.72 1.88 0.92 0.89 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 16 V 7.59 3.78 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 1.07 0.00 0.00 0.93 0.00 0.00 17 E 8.21 4.08 0.00 2.00 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 2.34 2.32 0.00 18 Q 8.08 4.17 0.00 2.18 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.97 6.80 0.00 0.00 0.00 0.00 0.00 2.33 2.43 0.00 19 L 7.70 4.05 0.00 1.82 1.70 0.96 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 20 K 8.12 3.84 0.00 1.86 2.00 0.00 1.80 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.50 7.81 21 M 8.18 4.12 0.00 2.10 2.12 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.96 0.00 22 E 8.04 3.88 0.00 1.93 2.05 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 2.33 2.58 0.00 23 A 7.77 4.21 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 24 N 8.46 4.76 0.00 2.82 2.84 0.00 0.00 6.90 7.14 0.00 0.00 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 I 7.55 4.32 1.87 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 1.57 0.59 0.98 0.00 0.00 26 D 8.38 4.58 0.00 2.80 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 27 R 8.24 4.43 0.00 1.82 1.92 0.00 3.15 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 28 I 7.69 4.73 1.87 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 1.41 0.60 0.91 0.00 0.00 29 K 8.21 4.38 0.00 1.79 1.71 0.00 1.69 0.00 0.00 1.74 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.48 7.81 30 V 8.44 3.58 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 1.16 0.00 0.00 0.93 0.00 0.00 31 S 8.00 4.10 0.00 4.09 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 32 K 8.08 3.91 0.00 1.92 1.91 0.00 1.68 0.00 0.00 1.91 0.00 0.00 2.96 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.54 1.52 7.81 33 A 8.24 3.99 1.37 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 0.00 0.00 0.00 0.00 0.00 0.00 34 A 8.32 3.94 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 35 A 8.14 3.99 1.37 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 0.00 0.00 0.00 0.00 0.00 0.00 36 D 7.99 4.30 0.00 3.02 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 37 L 7.61 3.99 0.00 1.80 1.76 0.91 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 38 M 8.28 4.01 0.00 2.11 2.21 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.59 0.00 39 A 8.24 4.11 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 40 Y 8.13 3.86 0.00 3.02 3.10 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 41 C 8.39 3.98 0.00 3.20 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 42 E 7.83 3.81 0.00 2.11 2.13 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 0.00 2.31 2.33 0.00 43 A 7.89 4.16 1.26 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 44 H 7.60 4.62 0.00 2.92 3.10 0.00 5.61 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 A 7.58 4.20 1.33 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 0.00 0.00 46 K 8.16 3.82 0.00 1.70 1.90 0.00 1.65 0.00 0.00 1.64 0.00 0.00 3.05 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.43 1.53 7.81 47 E 7.55 4.13 0.00 2.21 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 2.30 2.27 0.00 48 D 7.73 4.57 0.00 2.71 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 49 P 0.00 4.85 0.00 2.10 2.12 0.00 3.79 0.00 0.00 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.09 0.00 50 L 7.76 4.28 0.00 1.76 1.71 0.91 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 51 L 8.33 4.54 0.00 1.64 1.69 0.93 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 52 T 7.41 4.47 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 53 P 0.00 4.25 0.00 2.03 2.01 0.00 3.63 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.13 0.00 54 V 7.84 4.44 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 0.74 0.00 0.00 0.93 0.00 0.00 55 P 0.00 4.31 0.00 2.13 1.94 0.00 3.77 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.07 0.00 56 A 9.02 3.97 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.27 3.78 0.00 3.80 3.74 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 58 E 7.50 3.95 0.00 1.85 1.93 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 2.20 2.15 0.00 59 N 8.09 4.55 0.00 2.73 2.72 0.00 0.00 7.02 7.22 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 60 P 0.00 4.25 0.00 1.31 1.98 0.00 3.81 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.14 0.00 61 F 8.36 4.37 0.00 3.11 3.15 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 62 R 7.73 4.53 0.00 1.77 1.86 0.00 3.13 0.00 0.00 3.25 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 63 E 7.76 4.65 0.00 1.85 1.82 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 2.18 2.24 0.00 64 K 7.87 4.04 0.00 1.50 1.40 0.00 1.52 0.00 0.00 1.39 0.00 0.00 2.70 0.00 0.00 2.55 0.00 0.00 0.00 0.00 0.45 0.89 7.81 65 K 7.92 4.36 0.00 1.61 1.74 0.00 1.77 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.33 1.35 7.81 66 F 7.50 4.63 0.00 2.86 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 67 F 8.81 4.63 0.00 3.03 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