NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 13 L 4.3659 8.1849 120.6281 54.0775 43.3599 176.4307 14 E 3.8469 8.6155 121.0767 55.1179 30.0464 174.5915 15 T 5.1246 8.6343 113.4198 60.2255 72.4324 172.9466 16 F 4.8958 8.9479 120.3805 55.0721 43.6322 172.9193 17 P 4.3628 0.0000 0.0000 62.7655 32.1934 177.1043 18 L 3.9113 8.6130 124.7104 58.7911 41.8842 179.3134 19 D 4.3502 8.1038 117.0905 57.2509 40.9031 178.2852 20 V 3.5860 7.6747 117.7514 65.9448 31.7563 177.6294 21 L 4.1020 7.7516 117.7216 57.4545 41.4767 179.2861 22 V 4.0544 7.6824 118.8929 63.9833 32.8646 176.5486 23 N 5.0080 8.0845 115.0129 52.2174 37.9569 174.8500 24 T 4.5941 7.2747 112.9347 61.3209 73.2703 174.6880 25 A 4.0896 8.4564 127.9388 51.7839 19.6604 177.9373 26 A 3.9480 8.8979 123.7843 55.7074 18.1100 180.2149 27 E 3.9264 8.1450 115.1829 58.8994 29.8192 177.5853 28 D 4.5842 7.8136 116.5910 53.4419 41.7242 176.7804 29 L 3.9164 6.9205 119.8346 54.0099 42.5365 175.4846 30 P 4.2386 0.0000 0.0000 62.3476 31.7939 177.7222 31 R 3.8815 8.6435 118.3735 59.2738 29.3096 177.7023 32 G 3.9739 8.0384 104.0255 44.8833 0.0000 172.7499 33 V 3.6541 7.2520 120.0207 60.4362 32.9971 174.7720 34 D 4.5417 8.4931 127.2397 52.8672 40.9662 174.8912 35 P 4.2524 0.0000 0.0000 65.2816 31.3372 177.2673 36 S 4.4113 8.1699 113.4790 59.2236 63.8754 174.1864 37 R 5.0376 7.8736 119.4248 53.8097 30.8964 176.7669 38 K 4.0976 8.2355 119.6814 59.4804 32.6066 179.7999 39 E 4.1560 8.4225 116.4599 59.3329 29.4532 178.4517 40 N 4.4568 8.2258 115.5844 55.3058 38.8170 175.2500 41 H 4.8560 8.5161 115.2777 55.3655 29.2280 174.2934 42 L 4.7610 7.5461 120.1508 53.4688 42.8053 177.4466 43 S 4.3990 8.3550 116.5160 58.3076 65.0747 175.0819 44 D 4.3917 8.6175 122.2391 57.5286 40.4939 178.7958 45 E 3.9688 8.1280 119.2741 59.5158 29.6959 178.5257 46 D 4.3536 8.2645 118.9629 57.1143 40.7593 178.4938 47 F 4.0189 8.6758 121.6945 61.1495 39.4435 177.0716 48 K 4.0641 8.4770 119.0438 59.5625 31.7966 178.6088 49 A 3.9502 7.9242 119.9254 55.0622 18.3569 179.5627 50 V 3.3174 7.6789 115.9525 65.6460 30.3264 177.5433 51 F 4.4505 8.0119 116.8302 56.5900 39.2545 177.6682 52 G 3.9384 8.4811 105.2714 45.8503 0.0000 172.5046 53 M 4.9225 7.5053 114.9752 52.4140 34.6818 175.1338 54 T 4.2729 8.3017 109.6803 61.4746 71.0647 175.5750 55 R 3.4846 8.1749 120.7495 59.2874 30.1157 179.3282 56 S 4.0502 7.9535 112.3354 61.2112 62.2614 175.8704 57 A 4.0203 7.9480 122.6357 55.0915 18.4142 179.0728 58 F 4.1533 8.5464 118.9984 61.3973 39.3071 177.2759 59 A 3.9913 8.1300 119.1133 54.6213 18.2196 178.5237 60 N 4.4690 7.5959 112.7466 53.5170 39.2119 175.7388 61 L 4.0328 6.6490 120.5307 53.3232 42.6176 175.7904 62 P 4.1722 0.0000 0.0000 62.0738 33.0946 177.2874 63 L 3.8101 8.4172 122.7895 58.3474 41.8886 179.6562 64 W 4.4187 8.0091 115.8187 59.4405 27.9273 178.0206 65 K 3.6929 6.5196 119.9840 58.9273 31.6149 178.5729 66 Q 3.5749 7.6361 118.3724 58.9614 28.5529 178.9471 67 Q 4.2897 8.2913 118.9878 59.2424 28.9235 178.6876 68 N 4.3389 8.4401 117.5148 56.3040 38.3474 177.4924 69 L 4.1724 8.3095 120.5577 57.8859 41.7284 179.7796 70 K 4.3344 8.5461 118.4485 59.2081 32.0735 179.4863 71 K 4.0224 8.3552 119.0121 59.7345 31.8144 179.1941 72 E 3.9975 7.5880 116.2198 59.2614 29.4567 178.2137 73 K 4.0910 7.6091 114.2624 56.3473 31.9367 177.6929 74 G 3.9373 8.2170 107.6874 46.0172 0.0000 174.7747 75 L 4.6826 7.9758 117.0318 54.0662 42.3218 176.4788 76 F 4.4906 8.2730 126.5511 58.5043 39.3585 174.7221 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 13 L 8.18 4.37 0.00 1.62 1.77 0.85 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 14 E 8.62 3.85 0.00 2.29 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 15 T 8.63 5.12 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 16 F 8.95 4.90 0.00 2.91 2.97 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 17 P 0.00 4.36 0.00 2.13 2.01 0.00 3.81 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.13 0.00 18 L 8.61 3.91 0.00 1.85 1.68 0.87 1.02 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 19 D 8.10 4.35 0.00 2.83 2.66 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 20 V 7.67 3.59 2.33 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 0.87 0.00 0.00 0.99 0.00 0.00 21 L 7.75 4.10 0.00 1.86 1.76 1.21 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 22 V 7.68 4.05 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 1.03 0.00 0.00 0.99 0.00 0.00 23 N 8.08 5.01 0.00 2.88 2.74 0.00 0.00 6.84 7.74 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 24 T 7.27 4.59 4.21 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 25 A 8.46 4.09 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.90 3.95 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.14 3.93 0.00 1.94 1.98 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 2.28 2.44 0.00 28 D 7.81 4.58 0.00 2.78 2.65 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 29 L 6.92 3.92 0.00 1.75 1.49 0.84 0.73 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 30 P 0.00 4.24 0.00 1.31 1.59 0.00 3.14 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 1.64 0.00 31 R 8.64 3.88 0.00 1.91 2.07 0.00 3.04 0.00 0.00 3.25 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 32 G 8.04 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 33 V 7.25 3.65 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 0.69 0.00 0.00 0.66 0.00 0.00 34 D 8.49 4.54 0.00 2.80 2.66 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 35 P 0.00 4.25 0.00 2.14 2.12 0.00 3.78 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.95 0.00 36 S 8.17 4.41 0.00 3.99 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 37 R 7.87 5.04 0.00 1.84 1.87 0.00 3.38 0.00 0.00 3.30 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.77 0.00 38 K 8.24 4.10 0.00 1.90 1.95 0.00 1.88 0.00 0.00 2.01 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.55 1.61 7.81 39 E 8.42 4.16 0.00 2.18 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 0.00 2.50 2.23 0.00 40 N 8.23 4.46 0.00 2.80 2.80 0.00 0.00 6.91 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 H 8.52 4.86 0.00 3.44 3.62 0.00 5.60 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 L 7.55 4.76 0.00 1.93 1.72 1.04 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 43 S 8.35 4.40 0.00 4.06 4.01 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 44 D 8.62 4.39 0.00 2.72 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.13 3.97 0.00 2.05 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 2.39 2.41 0.00 46 D 8.26 4.35 0.00 2.80 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 47 F 8.68 4.02 0.00 3.29 3.22 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 0.00 0.00 0.00 0.00 48 K 8.48 4.06 0.00 2.07 2.04 0.00 1.74 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.53 7.81 49 A 7.92 3.95 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 50 V 7.68 3.32 1.44 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 -0.34 0.00 0.00 0.74 0.00 0.00 51 F 8.01 4.45 0.00 2.51 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.48 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 0.00 0.00 0.00 53 M 7.51 4.92 0.00 2.25 2.14 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.69 0.00 54 T 8.30 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 1.24 0.00 0.00 55 R 8.17 3.48 0.00 1.57 1.65 0.00 2.81 0.00 0.00 2.85 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.77 0.00 56 S 7.95 4.05 0.00 3.85 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 A 7.95 4.02 1.41 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 58 F 8.55 4.15 0.00 3.27 3.35 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 59 A 8.13 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 60 N 7.60 4.47 0.00 2.84 2.82 0.00 0.00 7.03 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 61 L 6.65 4.03 0.00 1.28 1.16 0.72 0.92 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 62 P 0.00 4.17 0.00 0.81 1.77 0.00 3.03 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.98 0.00 63 L 8.42 3.81 0.00 1.73 1.72 0.94 1.02 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 64 W 8.01 4.42 0.00 3.65 3.33 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 65 K 6.52 3.69 0.00 0.79 1.19 0.00 1.52 0.00 0.00 1.63 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.12 1.31 7.81 66 Q 7.64 3.57 0.00 2.11 1.87 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 1.16 1.94 0.00 67 Q 8.29 4.29 0.00 2.40 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.80 0.00 0.00 0.00 0.00 0.00 2.75 2.72 0.00 68 N 8.44 4.34 0.00 2.95 2.95 0.00 0.00 7.08 6.30 0.00 0.00 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 L 8.31 4.17 0.00 2.16 2.04 1.10 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 70 K 8.55 4.33 0.00 2.28 2.10 0.00 2.07 0.00 0.00 2.09 0.00 0.00 3.18 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.81 1.99 7.81 71 K 8.36 4.02 0.00 1.90 1.79 0.00 1.46 0.00 0.00 1.27 0.00 0.00 2.13 0.00 0.00 2.53 0.00 0.00 0.00 0.00 0.87 1.39 7.81 72 E 7.59 4.00 0.00 2.09 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 2.55 2.45 0.00 73 K 7.61 4.09 0.00 1.86 1.68 0.00 1.73 0.00 0.00 1.10 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.30 1.41 7.81 74 G 8.22 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 0.00 0.00 0.00 75 L 7.98 4.68 0.00 1.77 1.82 0.90 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 76 F 8.27 4.49 0.00 3.08 3.02 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 0.00 0.00 0.00