NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 H 4.7824 8.2876 117.8299 55.5004 30.4937 174.8398 6 S 4.0237 8.3278 117.7461 59.8006 62.7657 173.3124 7 L 4.4421 7.8289 122.5494 56.7370 43.4314 178.7714 8 Q 3.9327 7.9856 118.8764 59.4443 28.8543 178.0804 9 D 4.4425 7.9746 119.0320 57.1530 40.9140 177.1595 10 P 4.3280 0.0000 0.0000 65.4783 31.3482 178.0796 11 Y 3.9451 8.1193 118.4127 60.8445 38.7831 178.1708 12 L 3.7727 8.1657 120.2480 57.6461 41.4757 179.1118 13 N 4.6341 8.5684 117.4724 56.8839 38.8010 177.2384 14 T 3.8836 8.0829 117.4812 66.4204 68.5648 176.6912 15 L 3.8305 7.6997 120.9407 57.7322 41.5908 179.5148 16 R 4.1261 8.0265 119.8381 59.0139 29.9285 178.5602 17 K 3.9595 8.2458 117.5792 59.2574 32.1834 178.2323 18 E 4.3543 8.1846 115.6802 54.9745 30.0110 176.2067 19 R 3.7259 7.7461 117.0915 57.0034 28.4147 176.7331 20 V 3.8332 7.6845 117.1221 61.9954 32.3409 174.2488 21 P 4.6254 0.0000 0.0000 62.9160 32.7113 175.7565 22 V 4.9570 9.1084 116.1700 59.7838 36.8171 174.4155 23 S 5.0444 8.9983 118.1762 56.9074 65.7679 173.3166 24 I 4.8439 8.7855 126.3503 59.8808 39.2777 174.2040 25 Y 4.8383 9.0424 126.1896 56.7530 39.5356 175.7173 26 L 4.8578 8.9954 124.5807 53.7050 43.2738 178.5439 27 V 3.6254 8.5637 114.9226 64.3992 31.5463 177.5130 28 N 4.5099 8.0790 114.8302 53.3341 37.6484 175.7633 29 G 4.1078 8.2320 107.8790 45.1154 0.0000 174.1267 30 I 3.9508 8.5676 122.1414 61.1471 38.3657 174.8028 31 K 4.5236 8.5254 127.4716 54.7165 33.5904 175.1376 32 L 4.8217 8.7810 127.5017 53.1856 44.5023 175.5493 33 Q 4.8589 9.3879 119.7279 53.7267 32.9593 176.4632 34 G 3.8112 6.8899 107.3817 45.8337 0.0000 170.9674 35 Q 4.9294 7.5980 118.1819 53.8911 32.4165 175.3839 36 I 4.2478 8.2046 123.2758 61.4178 37.5565 176.2372 37 E 4.2128 9.2127 130.2192 58.6454 30.4946 176.1945 38 S 4.6165 7.8128 111.5875 58.2195 65.1833 173.7336 39 F 5.1406 7.6952 114.1556 56.3625 38.6224 173.1134 40 D 4.5520 8.6646 119.9937 52.3612 41.5019 175.4697 41 Q 4.0146 8.8448 118.0709 58.8420 29.1798 177.9721 42 F 5.0101 8.0741 112.9777 57.0433 41.4096 174.7585 43 V 5.0527 8.6873 113.3128 59.5587 36.4932 174.4434 44 I 4.9189 8.7077 122.1554 59.5746 41.1541 174.3721 45 L 4.8520 9.1627 129.3768 53.6903 43.5829 174.6689 46 L 5.2522 9.0361 129.5464 53.3556 44.6527 175.1711 47 K 4.7337 9.2458 123.6054 55.8369 36.3418 175.9259 48 N 4.7971 8.8624 124.8627 54.8906 37.3619 175.8309 49 T 4.0364 8.9200 107.7497 63.7558 69.9537 175.7697 50 V 4.2428 7.3397 120.8526 59.8882 33.3100 174.1040 51 S 4.7982 8.5658 120.4969 57.8331 63.3416 172.8984 52 Q 4.5904 9.2114 122.6157 55.7926 32.2092 172.1830 53 M 4.8169 8.6122 120.5804 54.1237 33.7312 174.9490 54 V 4.3979 8.8639 126.6421 61.2234 34.3305 174.2653 55 Y 4.4886 8.5126 125.6183 57.1256 38.7848 176.5176 56 K 3.9938 9.1730 125.5157 59.8008 32.3738 178.8945 57 H 4.2929 8.3764 112.5536 57.7333 28.5428 175.5773 58 A 4.5665 8.1399 122.1812 52.0778 19.4400 176.2560 59 I 4.5730 7.8610 118.2271 60.1561 38.6271 175.3758 60 S 4.7685 9.1670 120.5910 60.0351 63.9866 174.4073 61 T 4.7875 7.7844 110.1352 59.1657 72.5784 172.2229 62 V 4.6990 8.4842 122.5182 61.3495 33.8532 174.9079 63 V 4.4037 9.1029 129.3534 60.4440 32.1081 173.1231 64 P 4.7718 0.0000 0.0000 62.3516 31.9919 178.0104 65 S 4.5308 9.0872 118.4782 60.8019 63.4426 174.6673 66 R 4.6964 7.4651 116.0034 53.2156 32.3088 173.1004 67 P 4.3326 0.0000 0.0000 63.2229 31.7239 175.5965 68 V 4.0326 8.1233 119.6320 61.3906 32.7429 174.9705 69 R 4.5098 8.3427 126.6080 54.5653 31.3864 175.6524 70 L 4.2694 8.5136 124.2172 55.0100 41.8141 176.5061 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 H 8.29 4.78 0.00 3.22 3.55 0.00 5.60 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 S 8.33 4.02 0.00 4.11 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 7 L 7.83 4.44 0.00 1.74 1.63 0.91 0.55 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 8 Q 7.99 3.93 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.68 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 9 D 7.97 4.44 0.00 3.08 2.84 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 10 P 0.00 4.33 0.00 2.22 2.14 0.00 3.81 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.19 0.00 11 Y 8.12 3.95 0.00 3.19 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 12 L 8.17 3.77 0.00 0.57 0.43 0.39 0.46 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 13 N 8.57 4.63 0.00 3.27 2.91 0.00 0.00 7.21 6.82 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 14 T 8.08 3.88 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 1.13 0.00 0.00 15 L 7.70 3.83 0.00 1.73 1.61 0.74 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 16 R 8.03 4.13 0.00 2.10 2.22 0.00 3.33 0.00 0.00 3.45 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.79 0.00 17 K 8.25 3.96 0.00 1.80 1.87 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.67 7.81 18 E 8.18 4.35 0.00 2.04 1.94 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 2.28 2.31 0.00 19 R 7.75 3.73 0.00 1.92 1.96 0.00 3.15 0.00 0.00 3.14 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.53 0.00 20 V 7.68 3.83 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 0.68 0.00 0.00 0.87 0.00 0.00 21 P 0.00 4.63 0.00 2.10 1.94 0.00 3.57 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.10 0.00 22 V 9.11 4.96 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 0.96 0.00 0.00 0.97 0.00 0.00 23 S 9.00 5.04 0.00 3.95 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 I 8.79 4.84 1.83 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 1.24 0.63 0.93 0.00 0.00 25 Y 9.04 4.84 0.00 2.97 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 26 L 9.00 4.86 0.00 1.78 1.70 0.95 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 27 V 8.56 3.63 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 0.76 0.00 0.00 1.03 0.00 0.00 28 N 8.08 4.51 0.00 2.83 2.96 0.00 0.00 6.30 7.00 0.00 0.00 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 G 8.23 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 0.00 0.00 0.00 0.00 30 I 8.57 3.95 2.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.45 0.89 0.00 0.00 31 K 8.53 4.52 0.00 1.53 1.55 0.00 1.67 0.00 0.00 1.60 0.00 0.00 2.78 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.98 0.36 7.81 32 L 8.78 4.82 0.00 1.49 1.48 0.96 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 33 Q 9.39 4.86 0.00 1.82 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 7.13 0.00 0.00 0.00 0.00 0.00 2.16 2.23 0.00 34 G 6.89 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.60 4.93 0.00 2.01 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.88 6.95 0.00 0.00 0.00 0.00 0.00 2.24 2.28 0.00 36 I 8.20 4.25 1.88 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 1.20 1.11 1.00 0.00 0.00 37 E 9.21 4.21 0.00 1.97 1.97 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 2.30 2.26 0.00 38 S 7.81 4.62 0.00 3.90 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 39 F 7.70 5.14 0.00 3.25 2.99 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 0.00 0.00 0.00 40 D 8.66 4.55 0.00 2.82 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 41 Q 8.84 4.01 0.00 1.82 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.87 0.00 0.00 0.00 0.00 0.00 1.41 2.00 0.00 42 F 8.07 5.01 0.00 3.19 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 V 8.69 5.05 1.91 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 0.28 0.00 0.00 0.95 0.00 0.00 44 I 8.71 4.92 1.88 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 1.15 0.91 0.94 0.00 0.00 45 L 9.16 4.85 0.00 1.71 1.66 0.96 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 46 L 9.04 5.25 0.00 1.74 1.47 0.94 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 47 K 9.25 4.73 0.00 1.82 1.82 0.00 1.52 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.31 1.46 7.81 48 N 8.86 4.80 0.00 2.81 2.52 0.00 0.00 7.07 7.70 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 49 T 8.92 4.04 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 50 V 7.34 4.24 2.07 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 0.71 0.00 0.00 0.93 0.00 0.00 51 S 8.57 4.80 0.00 3.90 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 52 Q 9.21 4.59 0.00 2.05 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.56 0.00 0.00 0.00 0.00 0.00 2.18 2.24 0.00 53 M 8.61 4.82 0.00 1.95 1.93 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.14 0.00 54 V 8.86 4.40 2.07 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 1.02 0.00 0.00 0.92 0.00 0.00 55 Y 8.51 4.49 0.00 2.94 2.43 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 0.00 56 K 9.17 3.99 0.00 1.94 1.95 0.00 1.85 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.50 1.50 7.81 57 H 8.38 4.29 0.00 3.29 3.57 0.00 5.53 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 58 A 8.14 4.57 1.43 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 0.00 0.00 0.00 59 I 7.86 4.57 2.03 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.85 1.03 0.00 0.00 60 S 9.17 4.77 0.00 3.85 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 61 T 7.78 4.79 4.26 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 0.00 0.00 0.00 1.18 0.00 0.00 62 V 8.48 4.70 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 0.90 0.00 0.00 0.97 0.00 0.00 63 V 9.10 4.40 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 1.08 0.00 0.00 1.06 0.00 0.00 64 P 0.00 4.77 0.00 2.26 1.87 0.00 3.76 0.00 0.00 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.11 0.00 65 S 9.09 4.53 0.00 3.84 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 66 R 7.47 4.70 0.00 2.04 1.87 0.00 3.07 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.53 0.00 67 P 0.00 4.33 0.00 2.21 2.13 0.00 3.75 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 68 V 8.12 4.03 1.91 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 0.56 0.00 0.00 0.45 0.00 0.00 69 R 8.34 4.51 0.00 1.78 1.78 0.00 3.28 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.62 0.00 70 L 8.51 4.27 0.00 1.71 1.59 1.03 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00