NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 S 4.4125 8.3349 115.2871 58.4307 63.4418 175.8835 6 D 4.6693 8.3460 110.0643 50.2305 40.9924 171.8539 7 P 4.6217 0.0000 0.0000 60.8868 34.2153 174.6653 8 P 4.4263 0.0000 0.0000 62.9032 31.7899 176.0713 9 T 4.4816 8.1050 117.0158 61.4492 70.2533 174.6621 10 A 4.2394 8.4713 129.3733 52.3835 19.0962 177.4530 11 C 4.8359 8.4838 119.0239 55.1922 44.2658 174.1346 12 C 4.7378 8.2863 120.1877 55.3458 41.4322 173.6879 13 F 4.5144 8.4988 122.3573 56.7854 40.2153 176.0639 14 S 4.5743 7.7712 113.5419 56.3597 64.8592 172.4185 15 Y 4.8663 8.1514 124.0813 56.2226 39.8760 175.5757 16 T 4.1144 8.5666 116.8154 62.4907 67.9553 174.0053 17 A 4.6527 8.5420 127.4114 52.1338 20.5921 177.3728 18 R 4.3498 7.7355 111.5752 54.5293 31.2336 175.6371 19 K 2.7639 7.8322 120.3719 54.5236 32.7300 176.4167 20 L 3.8923 6.4825 126.7540 53.4894 42.3534 175.1594 21 P 3.9394 0.0000 0.0000 62.7788 32.0084 176.7428 22 R 3.0362 8.8730 123.6163 59.4207 29.7619 177.4312 23 N 4.6289 7.8821 110.6278 53.8174 37.6481 175.3069 24 F 4.6566 8.4230 118.7574 58.6036 39.6926 175.3167 25 V 4.8338 7.6400 120.9000 61.4649 32.4694 175.4533 26 V 4.4366 8.6286 119.7375 62.2806 34.1728 174.6982 27 D 4.9757 8.0578 118.2493 53.9611 44.9383 172.9684 28 Y 5.4712 8.2775 117.8318 56.4694 41.0937 172.8329 29 Y 4.4698 8.4564 117.3843 55.8869 42.1857 172.8692 30 E 5.1776 8.6865 120.3428 54.2389 32.0551 175.5365 31 T 4.2635 8.3522 117.1363 61.2958 69.8586 174.3822 32 S 4.1984 8.8667 118.1894 58.6481 62.8198 175.4487 33 S 4.3148 8.5302 119.7317 60.5431 62.9161 175.4456 34 L 4.1045 8.1897 121.2471 57.2795 41.5535 176.7485 35 C 4.5628 7.8142 115.9620 56.7030 40.5738 173.7820 36 S 4.2211 8.3368 114.9614 59.6405 63.4370 174.2283 37 Q 4.5996 7.3948 118.2927 53.5656 31.4126 172.4773 38 P 4.3472 0.0000 0.0000 63.1154 32.3883 175.5051 39 A 4.7181 8.0169 120.6292 51.1366 22.8495 175.0426 40 V 4.4730 8.3075 119.6041 60.8852 34.6768 174.5060 41 V 4.5181 8.1656 127.7158 61.0984 33.5154 174.2342 42 F 5.3077 8.7129 127.0553 56.5041 41.0450 174.4850 43 Q 5.2521 9.3363 124.9482 55.0587 31.1524 175.2970 44 T 5.6488 8.3661 116.6634 59.6091 71.3189 175.7647 45 K 4.0466 8.6257 120.0284 59.3324 32.1334 178.3947 46 R 4.2744 7.8731 115.6127 55.9033 29.9109 176.3643 47 S 3.8829 7.8959 112.4724 59.5376 60.7951 171.4774 48 K 4.4877 7.7106 119.6989 55.6509 33.1948 175.6777 49 Q 5.1499 8.4026 118.0736 54.3905 32.2082 175.1378 50 V 4.5086 8.6878 123.7324 61.0074 34.6357 174.2309 51 C 4.9256 8.9954 125.1920 57.2350 39.6760 172.5170 52 A 5.2081 8.8628 123.0148 50.2224 23.0089 175.1516 53 D 3.3700 8.3466 121.1952 52.9559 41.1905 175.3014 54 P 4.2187 0.0000 0.0000 64.2583 31.4895 177.4232 55 S 4.2981 8.1833 112.5895 59.2463 63.7180 175.0217 56 E 4.2010 7.6149 122.3669 55.8891 31.2438 177.6234 57 S 4.0810 8.4272 117.9260 61.0334 63.5301 176.7324 58 W 3.8213 8.0333 119.8841 58.9802 27.5653 178.2628 59 V 2.7108 6.1044 118.4615 65.6351 30.8989 177.7903 60 Q 3.9770 7.3726 117.5083 58.9929 28.6350 178.3578 61 E 3.9492 8.6820 120.0968 60.1730 29.5452 179.4666 62 Y 4.4250 8.2618 116.1643 60.8241 37.8228 178.9231 63 V 3.0974 7.6623 119.4752 66.0910 31.5836 177.5845 64 Y 3.9074 8.3976 116.5268 61.1737 37.7034 178.4001 65 D 4.3823 8.2248 118.7665 57.3658 41.1648 178.2953 66 L 4.1418 8.1007 118.7505 57.7307 41.6804 179.2298 67 E 4.2251 8.2311 117.7111 59.5459 29.6392 179.0962 68 L 4.1676 8.0743 117.7573 57.3278 41.8995 177.0182 69 N 4.5859 8.1475 119.4665 53.3065 38.7390 174.6828 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 5 S 8.33 4.41 0.00 3.84 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 D 8.35 4.67 0.00 2.72 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 7 P 0.00 4.62 0.00 2.15 2.04 0.00 3.75 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 1.94 1.96 0.00 8 P 0.00 4.43 0.00 2.07 2.04 0.00 3.64 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 9 T 8.10 4.48 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 1.20 0.00 0.00 10 A 8.47 4.24 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 11 C 8.48 4.84 0.00 2.80 2.29 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 0.00 12 C 8.29 4.74 0.00 2.72 2.68 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 0.00 0.00 0.00 13 F 8.50 4.51 0.00 2.98 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 14 S 7.77 4.57 0.00 3.79 3.71 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 0.00 0.00 0.00 0.00 15 Y 8.15 4.87 0.00 3.04 2.82 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 0.00 0.00 0.00 16 T 8.57 4.11 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 17 A 8.54 4.65 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 18 R 7.74 4.35 0.00 1.84 1.91 0.00 3.22 0.00 0.00 3.21 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.49 0.00 19 K 7.83 2.76 0.00 0.79 1.19 0.00 1.20 0.00 0.00 1.32 0.00 0.00 2.84 0.00 0.00 2.72 0.00 0.00 0.00 0.00 0.65 0.21 7.81 20 L 6.48 3.89 0.00 1.62 1.59 1.16 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 21 P 0.00 3.94 0.00 0.86 1.40 0.00 3.10 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 1.54 0.00 22 R 8.87 3.04 0.00 1.53 1.75 0.00 2.27 0.00 0.00 2.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.46 0.00 23 N 7.88 4.63 0.00 2.94 2.92 0.00 0.00 6.00 7.43 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 24 F 8.42 4.66 0.00 3.15 3.09 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 0.00 0.00 0.00 0.00 25 V 7.64 4.83 2.11 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 0.98 0.00 0.00 0.91 0.00 0.00 26 V 8.63 4.44 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 0.75 0.00 0.00 1.10 0.00 0.00 27 D 8.06 4.98 0.00 2.77 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 28 Y 8.28 5.47 0.00 2.77 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 29 Y 8.46 4.47 0.00 2.88 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 E 8.69 5.18 0.00 2.06 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.30 0.00 31 T 8.35 4.26 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 1.22 0.00 0.00 32 S 8.87 4.20 0.00 3.86 3.79 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.53 4.31 0.00 4.01 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 34 L 8.19 4.10 0.00 1.61 1.78 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 35 C 7.81 4.56 0.00 2.99 2.86 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 36 S 8.34 4.22 0.00 4.03 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 37 Q 7.39 4.60 0.00 2.25 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 7.10 0.00 0.00 0.00 0.00 0.00 2.14 2.26 0.00 38 P 0.00 4.35 0.00 2.07 2.02 0.00 3.78 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 39 A 8.02 4.72 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 40 V 8.31 4.47 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.14 0.00 0.00 0.71 0.00 0.00 41 V 8.17 4.52 0.67 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 0.73 0.00 0.00 0.58 0.00 0.00 42 F 8.71 5.31 0.00 3.22 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 43 Q 9.34 5.25 0.00 2.37 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.60 0.00 0.00 0.00 0.00 0.00 2.37 2.51 0.00 44 T 8.37 5.65 4.34 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 1.35 0.00 0.00 45 K 8.63 4.05 0.00 1.68 1.88 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.57 1.39 7.81 46 R 7.87 4.27 0.00 1.76 1.92 0.00 3.26 0.00 0.00 3.14 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.51 0.00 47 S 7.90 3.88 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 48 K 7.71 4.49 0.00 1.87 1.78 0.00 1.65 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.60 1.56 7.81 49 Q 8.40 5.15 0.00 1.95 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.71 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 50 V 8.69 4.51 2.34 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 1.17 0.00 0.00 1.08 0.00 0.00 51 C 9.00 4.93 0.00 3.12 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 52 A 8.86 5.21 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 53 D 8.35 3.37 0.00 1.70 2.28 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 54 P 0.00 4.22 0.00 1.97 1.96 0.00 3.45 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.90 0.00 55 S 8.18 4.30 0.00 3.86 3.88 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.61 4.20 0.00 1.91 1.67 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 2.34 2.22 0.00 57 S 8.43 4.08 0.00 3.98 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 58 W 8.03 3.82 0.00 3.12 3.17 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 59 V 6.10 2.71 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 -0.22 0.00 0.00 60 Q 7.37 3.98 0.00 2.05 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.48 0.00 0.00 0.00 0.00 0.00 2.49 2.36 0.00 61 E 8.68 3.95 0.00 2.16 2.16 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 2.49 2.54 0.00 62 Y 8.26 4.42 0.00 2.97 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 63 V 7.66 3.10 2.19 0.00 0.00 0.00 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 0.49 0.00 0.00 64 Y 8.40 3.91 0.00 3.24 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 65 D 8.22 4.38 0.00 2.92 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 L 8.10 4.14 0.00 1.86 2.04 1.32 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 67 E 8.23 4.23 0.00 2.13 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 2.64 2.54 0.00 68 L 8.07 4.17 0.00 1.74 1.77 1.03 1.29 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 69 N 8.15 4.59 0.00 2.86 2.73 0.00 0.00 6.94 7.02 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