NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 S 4.5638 8.1933 117.1052 58.2921 64.8632 175.9403 9 D 4.3813 8.0407 121.2783 56.4464 40.5558 176.1578 10 E 3.9811 8.9146 119.9027 61.2658 30.3288 181.6981 11 D 4.5470 8.1091 119.8634 57.2951 40.8035 178.9708 12 S 4.2737 8.3952 115.7367 61.4126 62.8141 176.5295 13 L 3.9684 8.1977 123.1679 58.0695 41.8080 178.8988 14 K 3.7510 8.2091 118.4740 59.6511 32.0444 178.7567 15 A 3.7334 7.7605 120.6472 55.3481 18.1380 179.9654 16 V 3.5607 7.5274 116.3983 66.2857 31.6602 178.4941 17 R 3.9854 7.9670 117.8183 58.9858 29.7206 178.9243 18 L 3.9550 8.0934 120.4381 58.2466 42.1787 178.7882 19 I 3.6944 7.7358 119.7818 64.5079 37.1297 178.2566 20 K 4.1085 8.3018 120.1709 59.5970 31.8136 178.5599 21 F 4.6130 8.1258 121.2526 60.7187 39.6034 176.8452 22 L 3.8941 8.2936 119.0346 58.0154 41.4500 179.1195 23 Y 4.0973 7.8668 116.6425 61.1723 37.6614 178.5944 24 Q 4.1072 8.3685 119.1956 58.7408 28.5537 178.6576 25 S 4.1633 7.5213 113.7190 59.2518 64.5354 173.8819 26 N 5.0349 7.6765 120.6657 51.1949 38.3319 171.8143 27 P 4.6550 0.0000 0.0000 61.4123 32.8556 175.6201 28 P 3.4796 0.0000 0.0000 61.6476 31.8103 174.7379 29 P 4.2943 0.0000 0.0000 62.1095 31.8417 176.0973 30 N 4.2162 8.6155 121.1138 52.9294 39.1456 172.6173 31 P 4.2056 0.0000 0.0000 63.2447 31.5452 175.2641 32 E 4.5321 8.7157 119.6043 56.6982 31.5896 176.4486 33 G 3.8060 8.6538 108.7402 45.1220 0.0000 173.5146 34 T 4.2674 8.1182 111.8613 61.7747 70.9317 175.8776 35 R 3.9325 8.4073 121.9982 61.4669 29.2959 177.1066 36 Q 4.1463 8.0477 117.5050 59.0174 28.9503 178.4149 37 A 4.0179 7.8703 121.3406 55.4859 18.2866 179.9436 38 R 3.9549 8.3685 119.0069 59.9175 30.1060 180.2213 39 R 3.9388 8.2379 120.5939 61.4571 29.4561 180.2146 40 N 4.4719 8.1604 117.6563 56.5522 38.5528 177.4801 41 R 3.9906 7.8576 118.4755 59.7105 30.1797 179.4205 42 R 4.1221 8.0902 119.9948 59.5578 30.0640 179.8158 43 R 4.0274 8.0872 120.6084 61.7106 29.4684 181.6288 44 R 4.1638 8.1676 119.1833 58.7898 29.9683 178.9337 45 W 4.1165 8.5990 128.3301 60.6412 30.6825 178.2953 46 R 3.7591 8.5280 120.4844 59.6217 29.5000 179.3488 47 E 3.9104 8.1912 118.1383 61.3556 29.7166 181.4994 48 R 3.9627 7.7042 119.3157 58.9528 29.9708 179.0207 49 Q 3.4323 7.5275 119.5444 58.8447 28.7613 178.5584 50 R 3.8360 8.2483 119.5109 59.0673 30.1224 178.5234 51 Q 3.8780 7.8202 119.3545 59.3486 28.9995 178.7037 52 I 3.4348 7.4991 120.3754 64.5884 37.0090 177.8411 53 H 4.2300 8.0993 117.3469 59.1814 28.2156 177.4229 54 S 4.0924 8.3100 114.8598 61.6183 62.1042 176.4372 55 I 3.7168 7.7178 122.1054 64.5330 36.9115 178.4294 56 S 4.1526 8.4202 116.3610 61.8662 62.6342 176.8054 57 E 4.0381 8.5320 121.3466 59.3493 29.0610 179.4201 58 R 3.9019 7.7547 118.2931 59.3806 30.2541 178.5683 59 I 3.8612 8.1757 120.0271 64.5608 37.0842 178.3712 60 R 3.9796 8.5955 119.7998 59.5101 29.7551 178.3168 61 S 4.0857 8.3473 113.0201 61.8152 62.1397 176.1759 62 T 3.8664 7.6999 116.8656 65.2525 68.4588 175.5945 63 Y 4.5879 7.9563 115.5907 57.4806 39.4600 176.0046 64 L 4.5856 8.2032 118.3292 55.9770 44.2023 176.7372 65 G 4.0744 7.5220 110.1824 46.1400 0.0000 172.7908 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 4.56 0.00 3.67 3.94 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 9 D 8.04 4.38 0.00 2.86 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 10 E 8.91 3.98 0.00 1.97 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 2.31 1.97 0.00 11 D 8.11 4.55 0.00 2.97 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 12 S 8.40 4.27 0.00 4.08 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 13 L 8.20 3.97 0.00 1.84 1.84 0.92 0.73 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 14 K 8.21 3.75 0.00 1.85 1.74 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.63 7.81 15 A 7.76 3.73 1.05 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 0.00 0.00 16 V 7.53 3.56 2.22 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 1.06 0.00 0.00 0.96 0.00 0.00 17 R 7.97 3.99 0.00 2.03 1.96 0.00 3.15 0.00 0.00 3.07 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.79 0.00 18 L 8.09 3.95 0.00 1.74 1.84 0.97 1.20 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 19 I 7.74 3.69 2.11 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.66 1.19 0.00 0.00 20 K 8.30 4.11 0.00 1.92 2.09 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.54 1.53 7.81 21 F 8.13 4.61 0.00 3.10 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 22 L 8.29 3.89 0.00 1.63 1.39 0.82 0.75 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 23 Y 7.87 4.10 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 24 Q 8.37 4.11 0.00 2.31 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.84 0.00 0.00 0.00 0.00 0.00 2.41 2.43 0.00 25 S 7.52 4.16 0.00 3.80 3.62 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 26 N 7.68 5.03 0.00 2.52 2.67 0.00 0.00 7.18 7.15 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 27 P 0.00 4.65 0.00 2.25 2.08 0.00 3.96 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.02 0.00 28 P 0.00 3.48 0.00 1.79 1.43 0.00 3.63 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.64 0.00 29 P 0.00 4.29 0.00 1.98 1.98 0.00 3.36 0.00 0.00 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.11 0.00 30 N 8.62 4.22 0.00 2.64 2.72 0.00 0.00 7.09 7.69 0.00 0.00 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 P 0.00 4.21 0.00 2.04 1.96 0.00 3.72 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.01 0.00 32 E 8.72 4.53 0.00 2.26 1.86 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 2.08 1.77 0.00 33 G 8.65 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.12 4.27 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 35 R 8.41 3.93 0.00 1.84 1.98 0.00 3.25 0.00 0.00 3.34 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.29 0.00 36 Q 8.05 4.15 0.00 2.05 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.84 0.00 0.00 0.00 0.00 0.00 2.45 2.38 0.00 37 A 7.87 4.02 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 38 R 8.37 3.95 0.00 2.04 1.97 0.00 3.12 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.89 0.00 39 R 8.24 3.94 0.00 1.81 1.93 0.00 3.29 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 1.56 1.54 0.00 40 N 8.16 4.47 0.00 2.90 2.93 0.00 0.00 7.07 6.97 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 41 R 7.86 3.99 0.00 2.02 2.03 0.00 3.13 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.81 0.00 42 R 8.09 4.12 0.00 1.83 2.02 0.00 3.08 0.00 0.00 3.07 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 43 R 8.09 4.03 0.00 1.83 1.94 0.00 3.28 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 1.57 1.55 0.00 44 R 8.17 4.16 0.00 2.16 2.05 0.00 3.22 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.51 0.00 45 W 8.60 4.12 0.00 3.50 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 46 R 8.53 3.76 0.00 2.28 2.01 0.00 3.30 0.00 0.00 3.36 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.19 0.00 47 E 8.19 3.91 0.00 1.99 1.97 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 2.25 2.23 0.00 48 R 7.70 3.96 0.00 1.71 1.77 0.00 3.15 0.00 0.00 3.04 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.68 0.00 49 Q 7.53 3.43 0.00 0.93 1.61 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 1.89 2.00 0.00 50 R 8.25 3.84 0.00 1.93 1.92 0.00 3.18 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 51 Q 7.82 3.88 0.00 2.03 2.14 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 2.27 2.35 0.00 52 I 7.50 3.43 1.58 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.22 -0.05 0.00 0.00 53 H 8.10 4.23 0.00 3.30 3.38 0.00 5.63 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 S 8.31 4.09 0.00 3.92 4.05 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 55 I 7.72 3.72 1.91 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.58 0.88 0.00 0.00 56 S 8.42 4.15 0.00 4.03 4.04 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.53 4.04 0.00 2.16 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 2.37 2.58 0.00 58 R 7.75 3.90 0.00 1.90 2.12 0.00 3.12 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.69 0.00 59 I 8.18 3.86 2.09 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 1.72 1.19 0.90 0.00 0.00 60 R 8.60 3.98 0.00 2.00 2.11 0.00 3.14 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.70 0.00 61 S 8.35 4.09 0.00 3.97 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 62 T 7.70 3.87 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 63 Y 7.96 4.59 0.00 2.96 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 64 L 8.20 4.59 0.00 1.78 1.70 0.97 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 65 G 7.52 4.07 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 0.00 0.00 0.00