NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 R 4.2430 8.1133 117.2711 56.3625 30.7829 176.4115 11 S 4.0555 8.6357 112.6934 58.1180 61.8956 173.5084 12 G 3.7525 7.7253 110.9886 46.9546 0.0000 175.9299 13 R 4.0943 7.6018 117.1502 58.6907 30.0978 177.8242 14 F 5.0481 8.1310 117.4634 58.5237 39.2371 176.4771 15 G 3.6642 8.0155 107.3283 47.1897 0.0000 174.1235 16 A 4.4932 8.5922 127.7326 52.1334 18.8658 177.2329 17 R 4.0980 7.5457 117.3533 57.3057 31.5207 176.2688 18 Y 3.9348 7.9494 117.1222 57.2055 36.9269 170.4833 19 G 3.9671 7.8890 104.1145 44.5390 0.0000 172.9197 20 R 4.0856 7.9923 117.8925 57.2283 30.7059 180.1133 21 V 3.4367 7.5971 117.4087 66.8202 32.6436 177.8398 22 S 4.1033 8.3649 114.5910 62.3115 62.6390 176.8559 23 R 4.2351 8.1653 117.6509 59.2662 29.4445 178.9887 24 R 3.8921 8.5510 120.0566 59.5676 30.1250 178.7702 25 R 3.9976 8.4304 117.9034 58.6223 29.9045 179.3418 26 V 3.4937 7.7048 118.2664 65.7364 31.6045 177.6314 27 A 3.9663 8.4872 120.8254 56.0933 18.2423 178.6917 28 E 3.8768 8.4576 116.5775 59.1518 29.3198 179.4767 29 I 3.6481 8.0515 119.2377 65.1125 37.5707 178.3032 30 E 3.9832 8.5263 119.2869 59.2704 28.9940 179.3553 31 S 4.0483 8.1855 112.9313 61.5237 62.8525 175.4869 32 E 4.2486 8.3536 121.8979 59.6198 29.1494 178.4256 33 M 4.5436 8.1948 118.8156 57.7952 32.4069 177.0349 34 N 4.8376 7.9505 113.8678 52.5625 39.3899 175.1363 35 E 4.1804 7.1681 119.8587 55.8908 30.2492 176.4587 36 D 4.5434 8.2923 120.2751 54.8417 41.7126 175.7975 37 H 5.0619 8.4562 118.4887 53.6182 32.9558 172.5874 38 A 4.2842 8.6583 124.4534 51.7706 18.5547 176.7246 39 C 4.1822 8.9830 124.5833 59.3214 32.0391 172.3776 40 P 4.0325 0.0000 0.0000 65.6941 30.3695 176.7466 41 N 3.8798 7.0572 114.6036 56.5555 40.6690 176.9071 42 C 4.6026 7.8635 118.7416 58.0899 28.6210 174.3469 43 G 4.1569 8.6556 102.7071 45.1796 0.0000 172.4197 44 E 4.1684 7.7730 122.6182 55.4037 30.9592 176.4219 45 D 5.8500 8.2540 126.2949 53.2244 38.3372 176.0692 46 R 4.7997 7.6963 117.5540 55.7794 33.2008 174.8915 47 V 4.9336 8.2083 118.8092 62.0270 32.9034 174.6292 48 D 5.3215 9.2022 126.3998 52.3474 45.5032 174.8776 49 R 3.4899 8.6092 120.9234 55.9460 30.5989 176.3311 50 Q 4.1562 8.5679 125.2841 56.9108 30.2468 175.7352 51 G 3.6690 6.5565 103.2929 45.8690 0.0000 171.7145 52 T 3.5144 8.3986 118.3879 65.1279 68.1228 174.5750 53 G 4.1642 8.5351 114.8781 46.0422 0.0000 171.1146 54 I 4.6468 6.8832 120.5926 58.9490 39.7075 174.8211 55 W 5.0200 8.4863 126.0769 54.9819 33.1786 174.2425 56 Q 5.1850 8.9396 122.5177 55.1494 32.7481 172.8498 57 C 5.1874 9.5912 127.6542 58.6553 32.3095 174.3911 58 S 4.3125 9.3474 121.8709 60.2226 62.6454 174.5948 59 Y 4.4421 7.7311 122.7010 59.2991 39.0767 175.1240 60 C 4.2252 8.0088 111.8871 57.4977 30.4598 174.7558 61 D 4.7661 8.4705 119.2203 54.4771 39.2955 173.3888 62 Y 4.4497 7.4992 120.0049 58.4698 39.8024 174.9935 63 K 5.1422 8.3172 126.9528 54.5788 34.7543 174.6965 64 F 5.0287 9.0985 121.8647 55.5031 42.1236 173.2039 65 T 4.8167 8.6392 109.3401 61.2583 70.4206 174.0484 66 G 4.4920 8.5571 109.6829 45.9614 0.0000 172.2624 67 G 4.4699 8.3844 107.8542 46.0407 0.0000 174.3437 68 S 4.1859 8.7000 115.7453 60.9946 62.6407 175.1736 69 Y 5.0969 7.8606 113.7136 57.1753 40.0142 174.6350 70 K 4.6056 7.9389 119.6210 53.6811 36.2950 175.6451 71 P 2.9700 0.0000 0.0000 64.0521 31.5318 176.0085 72 E 4.9100 7.6603 117.2942 54.0662 32.4981 175.5591 73 T 4.7004 8.0604 112.5595 58.9472 72.7531 173.1958 74 P 4.2934 0.0000 0.0000 66.2161 31.1607 179.1666 75 G 3.7023 8.0629 102.8164 47.6775 0.0000 175.5588 76 G 3.7778 8.1625 108.1967 47.5725 0.0000 176.0335 77 K 4.0825 8.4039 121.0268 59.4255 31.5256 179.6262 78 T 4.1484 7.7593 116.3076 66.1413 68.0147 176.8661 79 V 3.4602 7.4395 119.3355 66.3099 31.6865 177.9605 80 R 4.0378 7.1005 117.0527 58.1763 30.3985 178.3549 81 R 4.2290 8.2303 110.9130 56.6905 29.6702 176.9494 82 S 4.2140 8.0628 123.1635 58.2708 63.7131 173.0674 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 10 R 8.11 4.24 0.00 1.97 1.35 0.00 2.92 0.00 0.00 3.33 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 11 S 8.64 4.06 0.00 4.02 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 12 G 7.73 3.75 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 0.00 0.00 0.00 13 R 7.60 4.09 0.00 1.92 1.97 0.00 2.84 0.00 0.00 3.08 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.06 0.00 14 F 8.13 5.05 0.00 3.47 3.32 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 15 G 8.02 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 16 A 8.59 4.49 1.24 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 0.00 0.00 0.00 17 R 7.55 4.10 0.00 0.94 0.66 0.00 2.82 0.00 0.00 3.05 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.36 0.00 18 Y 7.95 3.93 0.00 3.06 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 19 G 7.89 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 20 R 7.99 4.09 0.00 1.90 1.85 0.00 3.18 0.00 0.00 3.28 7.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.63 0.00 21 V 7.60 3.44 2.09 0.00 0.00 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 0.94 0.00 0.00 22 S 8.36 4.10 0.00 3.92 3.76 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 23 R 8.17 4.24 0.00 2.45 2.63 0.00 2.97 0.00 0.00 3.48 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.75 0.00 24 R 8.55 3.89 0.00 1.89 2.28 0.00 3.11 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 1.84 1.69 0.00 25 R 8.43 4.00 0.00 2.06 1.93 0.00 3.17 0.00 0.00 3.08 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.76 0.00 26 V 7.70 3.49 2.39 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 1.19 0.00 0.00 1.12 0.00 0.00 27 A 8.49 3.97 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 E 8.46 3.88 0.00 2.17 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 2.34 2.60 0.00 29 I 8.05 3.65 1.74 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.73 0.52 0.00 0.00 30 E 8.53 3.98 0.00 2.01 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 2.30 2.52 0.00 31 S 8.19 4.05 0.00 3.92 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 32 E 8.35 4.25 0.00 2.12 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 2.38 2.51 0.00 33 M 8.19 4.54 0.00 2.29 2.46 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.98 2.63 0.00 34 N 7.95 4.84 0.00 2.79 2.88 0.00 0.00 7.05 7.63 0.00 0.00 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 E 7.17 4.18 0.00 1.80 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 2.35 2.53 0.00 36 D 8.29 4.54 0.00 2.63 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 H 8.46 5.06 0.00 3.08 3.09 0.00 5.62 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 A 8.66 4.28 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 39 C 8.98 4.18 0.00 3.18 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 40 P 0.00 4.03 0.00 1.73 1.85 0.00 3.45 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 1.76 0.00 41 N 7.06 3.88 0.00 1.94 2.51 0.00 0.00 6.99 7.65 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 42 C 7.86 4.60 0.00 3.22 2.38 0.00 0.00 0.00 0.00 0.00 0.00 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 8.66 4.16 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 E 7.77 4.17 0.00 1.92 1.70 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 1.86 2.21 0.00 45 D 8.25 5.85 0.00 2.59 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 46 R 7.70 4.80 0.00 1.81 1.96 0.00 3.23 0.00 0.00 3.39 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.58 0.00 47 V 8.21 4.93 2.30 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 1.15 0.00 0.00 1.24 0.00 0.00 48 D 9.20 5.32 0.00 2.66 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.61 3.49 0.00 1.21 1.52 0.00 3.02 0.00 0.00 2.96 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.50 0.00 50 Q 8.57 4.16 0.00 1.82 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.55 0.00 0.00 0.00 0.00 0.00 2.19 2.32 0.00 51 G 6.56 3.67 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.40 3.51 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 1.03 0.00 0.00 53 G 8.54 4.16 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 I 6.88 4.65 1.56 0.00 0.00 0.73 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 0.99 0.71 0.00 0.00 55 W 8.49 5.02 0.00 1.78 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 56 Q 8.94 5.19 0.00 2.06 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.94 0.00 0.00 0.00 0.00 0.00 2.33 2.74 0.00 57 C 9.59 5.19 0.00 3.31 3.12 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 0.00 0.00 0.00 0.00 58 S 9.35 4.31 0.00 4.07 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 59 Y 7.73 4.44 0.00 2.91 3.04 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 60 C 8.01 4.23 0.00 3.10 3.05 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 61 D 8.47 4.77 0.00 2.90 2.92 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 62 Y 7.50 4.45 0.00 3.12 3.07 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 63 K 8.32 5.14 0.00 1.72 1.54 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.18 1.32 7.81 64 F 9.10 5.03 0.00 3.05 2.54 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 0.00 0.00 0.00 0.00 65 T 8.64 4.82 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 1.23 0.00 0.00 66 G 8.56 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.38 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 S 8.70 4.19 0.00 3.26 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.86 5.10 0.00 3.14 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 70 K 7.94 4.61 0.00 1.79 1.60 0.00 1.76 0.00 0.00 1.94 0.00 0.00 3.06 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.62 1.53 7.81 71 P 0.00 2.97 0.00 1.86 0.84 0.00 2.94 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.14 0.00 72 E 7.66 4.91 0.00 1.86 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 2.15 2.16 0.00 73 T 8.06 4.70 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 1.24 0.00 0.00 74 P 0.00 4.29 0.00 2.19 2.18 0.00 3.62 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 2.14 2.20 0.00 75 G 8.06 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 0.00 0.00 0.00 76 G 8.16 3.78 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 0.00 0.00 0.00 77 K 8.40 4.08 0.00 1.80 1.86 0.00 1.66 0.00 0.00 1.63 0.00 0.00 3.17 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.56 1.62 7.81 78 T 7.76 4.15 4.43 0.00 0.00 0.00 0.00 0.00 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 79 V 7.44 3.46 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 0.84 0.00 0.00 1.00 0.00 0.00 80 R 7.10 4.04 0.00 2.19 1.99 0.00 3.23 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.72 0.00 81 R 8.23 4.23 0.00 1.85 0.99 0.00 3.18 0.00 0.00 3.27 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.59 0.00 82 S 8.06 4.21 0.00 4.01 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00