NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.1346 8.2493 123.5815 52.3478 19.8211 175.6914 2 T 3.0328 8.4129 106.9808 61.8362 66.3339 170.1179 3 A 4.2550 7.9147 131.9202 51.9197 17.7304 177.6128 4 S 4.2789 8.1610 116.7417 57.7391 64.6158 173.6172 5 P 4.3109 0.0000 0.0000 65.7277 31.2280 178.7457 6 Q 3.9676 7.9423 117.6098 58.5773 28.3058 177.9245 7 L 3.9430 7.7931 120.9595 58.2265 42.2510 178.8293 8 S 4.1550 8.0122 112.6304 61.3880 62.3075 176.2821 9 S 4.1982 8.2295 118.2145 61.2857 61.9882 176.4394 10 E 3.9718 8.0714 121.6068 59.3637 29.2237 179.1548 11 I 3.7301 7.3786 118.8797 64.7459 37.1770 178.2964 12 E 4.2208 8.1002 118.9793 59.2152 28.9361 179.1065 13 N 4.2963 7.9249 116.7932 56.6354 39.4308 176.5298 14 L 4.3627 7.6382 119.4401 58.2214 40.7544 178.6490 15 M 4.1240 8.5760 120.5386 58.7146 31.7593 178.5735 16 S 4.1462 8.2400 111.5944 60.9792 62.5874 175.4522 17 Q 4.2664 7.8456 119.1983 56.0874 28.8071 176.2993 18 G 4.0273 8.2939 107.0327 45.4301 0.0000 174.1728 19 Y 4.2037 8.0217 117.7216 58.5569 38.6438 175.2458 20 S 4.9413 8.5487 118.3495 57.3496 65.3479 175.4459 21 Y 4.1891 8.4349 125.0689 59.7949 37.6317 178.5724 22 Q 3.8958 7.2061 119.4061 59.5556 28.6848 178.2342 23 D 4.3827 7.9164 120.3511 56.0105 41.0439 178.7065 24 I 3.6305 7.8723 121.0742 64.5357 37.3062 178.1458 25 Q 3.9932 8.2960 120.3579 58.8460 28.3809 178.1481 26 K 3.8331 7.7648 120.6936 59.4512 32.2511 178.5329 27 A 3.8987 8.3354 121.2834 55.2491 18.1532 179.6163 28 L 4.0054 7.9024 117.3732 58.0200 41.4342 180.1948 29 V 3.3081 7.4883 111.2090 63.9744 31.4952 177.8570 30 I 3.9799 7.2669 116.7688 62.8619 38.2439 176.5896 31 A 4.2987 8.3222 120.3364 50.8473 19.2550 177.0426 32 Q 3.2482 8.8615 116.5077 58.6372 26.4924 173.6131 33 N 4.1186 8.6522 109.2605 53.8480 37.2486 174.5932 34 N 4.5942 7.8741 113.8683 53.7215 38.8932 175.6139 35 I 3.8492 7.5644 118.9937 63.9034 38.0327 177.6787 36 E 4.0653 7.8772 118.6826 59.3602 29.9984 178.8299 37 M 4.1318 8.0536 117.6711 58.3720 32.3141 178.1266 38 A 3.9138 7.8374 120.7218 55.0424 18.8234 179.6429 39 K 3.8046 7.6185 116.0913 60.0496 32.3910 179.0797 40 N 4.3544 8.6632 118.2569 56.1578 38.4709 177.4548 41 I 3.8698 7.6829 120.9712 64.2207 36.6667 178.4117 42 L 3.9250 7.6954 119.7423 57.7127 41.1414 179.3930 43 R 4.2311 7.1900 118.2147 59.1088 30.0716 178.1314 44 E 4.1186 8.3387 117.2477 59.0142 29.6150 177.6736 45 F 4.2139 9.0365 116.6516 57.7103 39.9125 176.7113 46 V 3.9429 6.4387 121.8690 62.1068 32.7131 176.2766 47 S 4.8764 8.4379 116.8379 56.8557 65.9897 173.2417 48 I 4.4099 7.8677 121.6062 59.8888 38.9786 176.4180 49 S 4.4388 8.5320 120.0800 59.2285 63.4812 174.8919 50 S 4.1768 7.8410 115.8292 57.6911 63.1555 172.1353 51 P 4.1744 0.0000 0.0000 62.8197 31.8692 174.4224 52 A 3.5322 8.2340 127.9374 53.0305 15.0856 176.8338 53 H 4.5460 8.3529 116.6795 58.8453 29.7405 178.2351 54 V 4.1414 7.5660 111.1465 61.9301 31.7390 176.5684 55 A 4.7111 7.9597 120.3385 52.3992 18.5843 178.6251 56 T 4.1870 7.6641 121.5599 65.6504 69.8422 173.8466 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 A 8.25 4.13 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 2 T 8.41 3.03 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 3 A 7.91 4.26 1.27 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 0.00 0.00 0.00 4 S 8.16 4.28 0.00 4.06 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 5 P 0.00 4.31 0.00 2.28 2.34 0.00 3.69 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.05 0.00 6 Q 7.94 3.97 0.00 2.12 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.95 0.00 0.00 0.00 0.00 0.00 2.45 2.41 0.00 7 L 7.79 3.94 0.00 1.67 1.65 0.95 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 8 S 8.01 4.15 0.00 4.01 4.03 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.23 4.20 0.00 4.04 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.07 3.97 0.00 2.16 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 0.00 2.64 2.49 0.00 11 I 7.38 3.73 2.10 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.51 0.94 0.00 0.00 12 E 8.10 4.22 0.00 2.22 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.48 0.00 13 N 7.92 4.30 0.00 2.74 3.14 0.00 0.00 7.25 7.11 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 14 L 7.64 4.36 0.00 1.91 1.86 0.96 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 15 M 8.58 4.12 0.00 2.05 2.34 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.86 0.00 16 S 8.24 4.15 0.00 4.05 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 17 Q 7.85 4.27 0.00 2.48 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.84 6.03 0.00 0.00 0.00 0.00 0.00 2.44 2.60 0.00 18 G 8.29 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.02 4.20 0.00 3.23 2.88 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 20 S 8.55 4.94 0.00 3.97 3.57 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.43 4.19 0.00 3.17 3.23 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 0.00 22 Q 7.21 3.90 0.00 2.18 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.87 0.00 0.00 0.00 0.00 0.00 2.02 2.29 0.00 23 D 7.92 4.38 0.00 2.80 2.74 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 0.00 0.00 0.00 0.00 24 I 7.87 3.63 2.02 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.12 0.94 0.00 0.00 25 Q 8.30 3.99 0.00 2.22 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.54 0.00 26 K 7.76 3.83 0.00 1.93 1.82 0.00 1.60 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.27 1.37 7.81 27 A 8.34 3.90 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 28 L 7.90 4.01 0.00 1.90 1.71 0.92 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 29 V 7.49 3.31 2.05 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 0.77 0.00 0.00 0.97 0.00 0.00 30 I 7.27 3.98 1.78 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.99 0.91 0.00 0.00 31 A 8.32 4.30 1.29 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 0.00 0.00 32 Q 8.86 3.25 0.00 2.09 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.70 0.00 0.00 0.00 0.00 0.00 2.28 2.52 0.00 33 N 8.65 4.12 0.00 2.87 2.90 0.00 0.00 6.84 6.20 0.00 0.00 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 N 7.87 4.59 0.00 2.92 2.86 0.00 0.00 7.18 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 35 I 7.56 3.85 1.86 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.53 0.90 0.00 0.00 36 E 7.88 4.07 0.00 2.04 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 2.35 0.00 37 M 8.05 4.13 0.00 2.06 2.05 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.60 0.00 38 A 7.84 3.91 1.32 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 0.00 0.00 39 K 7.62 3.80 0.00 1.94 2.02 0.00 1.30 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.59 1.50 7.81 40 N 8.66 4.35 0.00 2.92 2.90 0.00 0.00 6.88 7.24 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 41 I 7.68 3.87 1.96 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.90 0.77 0.00 0.00 42 L 7.70 3.92 0.00 1.20 0.68 0.91 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 43 R 7.19 4.23 0.00 1.86 2.22 0.00 3.29 0.00 0.00 3.09 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.73 0.00 44 E 8.34 4.12 0.00 2.26 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.59 0.00 45 F 9.04 4.21 0.00 3.14 2.91 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 46 V 6.44 3.94 2.32 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 0.78 0.00 0.00 1.12 0.00 0.00 47 S 8.44 4.88 0.00 3.86 3.80 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 0.00 0.00 0.00 48 I 7.87 4.41 1.78 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.24 0.73 0.00 0.00 49 S 8.53 4.44 0.00 3.84 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 50 S 7.84 4.18 0.00 3.96 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 51 P 0.00 4.17 0.00 2.02 1.97 0.00 3.78 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.04 0.00 52 A 8.23 3.53 1.29 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 0.00 0.00 53 H 8.35 4.55 0.00 3.14 3.32 0.00 5.71 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 V 7.57 4.14 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 0.90 0.00 0.00 0.94 0.00 0.00 55 A 7.96 4.71 1.25 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 0.00 0.00 0.00 56 T 7.66 4.19 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