NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.2317 8.1933 115.2927 59.3191 62.2889 173.7984 2 R 3.2624 8.1261 127.1549 56.3158 27.8459 172.9864 3 V 3.8995 7.6273 114.0723 60.7754 30.1250 176.3694 4 C 3.9820 8.2734 125.4475 60.1982 31.2430 173.0883 5 Q 3.8449 7.4566 120.7167 57.7060 29.0315 174.9305 6 V 3.7228 7.7595 118.2693 64.6299 31.8098 177.3526 7 T 4.3213 7.8219 108.8349 59.6687 69.6017 174.8504 8 G 4.0728 8.2696 109.2824 46.3863 0.0000 173.9952 9 K 4.1503 7.3883 119.5217 56.2244 32.5389 176.6007 10 R 4.9331 8.0987 120.5054 53.1170 34.1076 173.2810 11 P 4.3403 0.0000 0.0000 63.3423 31.6155 175.9831 12 V 4.6346 8.4580 116.7818 59.4077 34.7935 174.8369 13 T 4.5162 8.6754 115.7736 61.1759 69.7808 174.0591 14 G 4.3858 8.5371 114.8119 45.3684 0.0000 170.3427 15 N 5.3315 8.8551 118.4342 51.7286 41.7489 174.8237 16 N 4.1830 8.5647 119.3695 56.4484 38.8933 175.3719 17 R 3.6117 8.0891 123.4243 56.4692 26.7495 176.3221 18 S 4.4286 7.8648 117.4486 57.1221 65.0767 174.1186 19 H 4.1828 8.2452 116.7764 56.8524 28.9422 176.2533 20 A 3.8873 9.0923 123.2384 52.1543 17.5600 178.8870 21 L 3.8837 7.4589 113.1509 55.0684 39.3808 173.9836 22 N 4.4766 7.7241 116.5704 53.6302 39.1251 173.9659 23 A 4.7138 8.4955 126.9293 51.2473 20.2433 176.7305 24 T 4.3981 8.4491 112.7836 60.9175 71.7125 173.0950 25 K 4.5157 7.8809 125.1003 53.8944 31.2529 175.9089 26 R 4.1124 8.5435 122.6102 55.4365 31.5106 172.6473 27 R 3.8202 7.7732 126.8278 55.4462 29.4137 175.3365 28 F 4.6243 8.3703 124.5175 56.7594 40.2347 174.7062 29 L 4.7256 7.9587 121.1196 55.1627 42.3817 171.7255 30 P 4.8211 0.0000 0.0000 60.7418 33.3000 175.0506 31 N 4.6205 8.4975 117.7568 52.1668 36.9107 173.7129 32 L 5.1047 8.3988 123.1828 52.4686 43.7814 177.6190 33 H 4.6460 8.5021 119.7461 54.6934 28.3467 173.9781 34 S 3.7228 8.1933 118.5464 58.7353 62.2866 170.9262 35 H 4.6057 7.8165 120.8328 56.1464 32.6207 173.2795 36 R 4.7729 8.3841 125.4182 55.8069 31.0340 175.7848 37 F 5.0987 9.4544 122.4735 55.4973 42.2709 174.1942 38 W 5.3221 9.2203 132.3504 56.7965 31.1574 176.0208 39 V 3.6816 6.8202 117.5986 60.4150 33.2722 175.2784 40 E 3.1017 5.9000 121.8827 56.5644 27.3185 176.3264 41 S 3.6010 6.9095 110.6667 63.4366 63.4797 175.2720 42 E 3.8852 7.9056 127.6279 57.0918 30.3939 176.5448 43 K 3.4089 7.6960 118.2738 56.8100 30.7903 174.0221 44 R 4.9150 6.8844 112.4547 55.4596 33.4461 173.8215 45 F 5.2934 8.9238 118.3328 56.7523 40.1205 176.0128 46 V 4.4990 9.2364 118.3676 59.8741 33.8478 174.7301 47 T 4.9611 8.7102 121.2041 61.1023 68.3544 173.8243 48 L 4.7421 8.9825 128.4656 52.8856 45.0635 176.6310 49 R 4.1035 9.0768 123.8296 57.1082 29.4152 176.2475 50 V 4.8749 8.2566 118.5382 58.4878 34.9854 174.7046 51 S 5.3950 8.3739 112.4276 55.3708 66.1577 172.8756 52 A 4.2127 8.2570 123.4080 53.2900 19.0036 176.9152 53 K 4.4288 9.0899 126.1854 57.4786 31.9210 178.3261 54 G 4.3727 7.7568 103.2235 46.0374 0.0000 174.0380 55 M 4.5070 7.9469 120.2025 57.0443 33.1389 177.8887 56 R 4.3203 8.1165 118.3899 59.3322 30.0387 178.4647 57 V 3.6287 8.2310 119.1879 64.4611 31.9185 178.4641 58 I 3.7488 7.5314 119.6732 63.8181 36.7574 177.7362 59 D 4.5097 8.4475 119.4217 56.4045 40.7300 176.5704 60 K 4.1292 7.4485 118.8049 56.1030 32.7203 177.1305 61 K 3.9696 7.1486 120.8922 60.0353 33.2422 177.1564 62 G 4.0514 8.1588 106.2164 44.1625 0.0000 174.1148 63 I 3.1945 7.7313 115.5670 64.9771 37.7943 177.3721 64 D 4.3692 7.8189 119.7510 56.6810 41.0378 178.7553 65 T 3.8112 7.8757 115.7607 66.8565 68.2263 176.4973 66 V 3.8955 8.0474 120.3666 64.5397 31.5551 177.0191 67 L 4.2869 7.4265 116.6773 54.5863 41.8786 178.1342 68 A 4.1441 7.9309 123.1884 56.9292 18.7784 179.0902 69 E 4.1487 8.1879 116.3948 57.4321 30.3822 175.3199 70 L 4.0381 8.5994 120.2599 57.3008 40.4323 176.8551 71 R 3.7024 7.7954 117.1575 58.8478 30.3705 177.7619 72 A 4.3978 7.4475 117.1342 53.2391 18.1797 177.7054 73 R 4.4511 7.8523 112.6691 54.7632 33.1667 174.6244 74 G 3.5645 7.7451 105.1659 46.7164 0.0000 175.1713 75 E 4.6108 7.4497 117.2788 56.0040 30.4079 177.3369 76 K 3.2550 8.3885 119.9174 57.5851 33.5464 175.2891 77 Y 4.0484 8.6193 114.4658 57.8894 39.1757 170.0341 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 S 8.19 4.23 0.00 3.88 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 2 R 8.13 3.26 0.00 2.01 2.24 0.00 3.44 0.00 0.00 3.24 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.67 0.00 3 V 7.63 3.90 2.10 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 0.82 0.00 0.00 0.95 0.00 0.00 4 C 8.27 3.98 0.00 2.90 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 5 Q 7.46 3.84 0.00 2.51 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.73 0.00 0.00 0.00 0.00 0.00 2.30 2.37 0.00 6 V 7.76 3.72 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 0.95 0.00 0.00 0.88 0.00 0.00 7 T 7.82 4.32 4.23 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 1.20 0.00 0.00 8 G 8.27 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 9 K 7.39 4.15 0.00 1.91 1.75 0.00 1.61 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.41 7.81 10 R 8.10 4.93 0.00 1.75 1.79 0.00 3.22 0.00 0.00 3.29 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.82 0.00 11 P 0.00 4.34 0.00 2.19 2.10 0.00 3.72 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.01 0.00 12 V 8.46 4.63 2.14 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 0.80 0.00 0.00 1.06 0.00 0.00 13 T 8.68 4.52 4.25 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 0.00 0.00 1.22 0.00 0.00 14 G 8.54 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 N 8.86 5.33 0.00 2.61 2.70 0.00 0.00 6.78 8.00 0.00 0.00 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 8.56 4.18 0.00 2.78 2.83 0.00 0.00 7.02 7.54 0.00 0.00 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 R 8.09 3.61 0.00 1.95 1.96 0.00 3.37 0.00 0.00 3.28 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.56 0.00 18 S 7.86 4.43 0.00 4.10 4.02 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 19 H 8.25 4.18 0.00 3.14 3.30 0.00 6.00 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 A 9.09 3.89 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 21 L 7.46 3.88 0.00 1.81 1.94 0.93 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 22 N 7.72 4.48 0.00 2.67 2.79 0.00 0.00 6.90 7.42 0.00 0.00 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 A 8.50 4.71 1.22 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 0.00 0.00 24 T 8.45 4.40 4.22 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 1.20 0.00 0.00 25 K 7.88 4.52 0.00 1.65 1.74 0.00 1.89 0.00 0.00 1.75 0.00 0.00 2.77 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.43 1.44 7.81 26 R 8.54 4.11 0.00 1.58 2.00 0.00 2.80 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.90 0.00 27 R 7.77 3.82 0.00 1.91 1.95 0.00 3.21 0.00 0.00 3.21 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.64 0.00 28 F 8.37 4.62 0.00 3.19 2.94 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 29 L 7.96 4.73 0.00 1.71 1.66 0.95 0.61 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 30 P 0.00 4.82 0.00 2.19 2.08 0.00 3.78 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.94 0.00 31 N 8.50 4.62 0.00 3.07 3.10 0.00 0.00 5.87 6.67 0.00 0.00 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 L 8.40 5.10 0.00 1.62 1.59 1.04 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 33 H 8.50 4.65 0.00 3.21 3.33 0.00 5.68 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 S 8.19 3.72 0.00 4.07 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 35 H 7.82 4.61 0.00 3.23 3.08 0.00 5.86 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 R 8.38 4.77 0.00 1.46 1.79 0.00 3.15 0.00 0.00 3.12 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.53 0.00 37 F 9.45 5.10 0.00 3.13 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 38 W 9.22 5.32 0.00 3.48 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 39 V 6.82 3.68 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 0.64 0.00 0.00 0.62 0.00 0.00 40 E 5.90 3.10 0.00 1.82 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 0.00 1.84 2.16 0.00 41 S 6.91 3.60 0.00 3.71 3.70 0.00 0.00 0.00 0.00 0.00 0.00 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 7.91 3.89 0.00 1.88 1.92 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 2.30 2.29 0.00 43 K 7.70 3.41 0.00 1.90 1.86 0.00 1.73 0.00 0.00 1.82 0.00 0.00 3.22 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.39 1.56 7.81 44 R 6.88 4.92 0.00 2.02 2.06 0.00 3.10 0.00 0.00 3.43 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.78 0.00 45 F 8.92 5.29 0.00 3.11 3.06 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 46 V 9.24 4.50 2.17 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 0.86 0.00 0.00 1.06 0.00 0.00 47 T 8.71 4.96 4.30 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 1.29 0.00 0.00 48 L 8.98 4.74 0.00 1.67 1.58 0.66 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 49 R 9.08 4.10 0.00 1.73 1.96 0.00 3.19 0.00 0.00 3.25 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.72 0.00 50 V 8.26 4.87 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 1.09 0.00 0.00 1.11 0.00 0.00 51 S 8.37 5.39 0.00 3.94 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 52 A 8.26 4.21 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 53 K 9.09 4.43 0.00 1.96 1.97 0.00 1.74 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.37 1.36 7.81 54 G 7.76 4.37 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 0.00 55 M 7.95 4.51 0.00 2.15 2.12 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.71 0.00 56 R 8.12 4.32 0.00 1.88 2.05 0.00 3.17 0.00 0.00 3.39 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.72 0.00 57 V 8.23 3.63 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 0.70 0.00 0.00 0.91 0.00 0.00 58 I 7.53 3.75 1.94 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.91 0.63 0.00 0.00 59 D 8.45 4.51 0.00 2.74 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 60 K 7.45 4.13 0.00 1.55 1.70 0.00 1.84 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 1.36 1.45 7.81 61 K 7.15 3.97 0.00 1.91 1.86 0.00 1.70 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.47 1.42 7.81 62 G 8.16 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 0.00 0.00 0.00 63 I 7.73 3.19 1.76 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 1.61 0.46 0.90 0.00 0.00 64 D 7.82 4.37 0.00 2.64 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.88 3.81 4.36 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 1.21 0.00 0.00 66 V 8.05 3.90 2.04 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 1.00 0.00 0.00 0.86 0.00 0.00 67 L 7.43 4.29 0.00 1.68 1.53 0.70 -0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 68 A 7.93 4.14 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 69 E 8.19 4.15 0.00 2.10 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 2.40 2.39 0.00 70 L 8.60 4.04 0.00 2.23 2.02 0.97 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 71 R 7.80 3.70 0.00 1.70 1.94 0.00 3.09 0.00 0.00 3.13 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.39 0.00 72 A 7.45 4.40 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 R 7.85 4.45 0.00 1.86 1.89 0.00 3.31 0.00 0.00 3.24 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 74 G 7.75 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.45 4.61 0.00 2.01 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 2.21 2.48 0.00 76 K 8.39 3.26 0.00 1.96 1.78 0.00 1.77 0.00 0.00 1.84 0.00 0.00 3.13 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.39 1.52 7.81 77 Y 8.62 4.05 0.00 3.19 3.08 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