NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.6098 8.3493 120.5319 54.3803 40.9678 174.4304 2 E 5.4928 7.7970 116.2429 57.1273 32.4717 176.2962 3 D 4.7388 8.3879 126.6807 54.8398 41.4243 177.5005 4 T 4.0502 8.1442 122.7011 64.7188 69.3467 173.0576 5 Y 4.4749 8.2872 121.1027 56.2570 41.7783 173.8292 6 Y 5.2052 8.2372 118.2782 56.2515 40.0243 175.3097 7 L 4.5264 8.6330 126.5408 53.0765 43.1469 175.4353 8 Q 4.1779 8.6727 128.4992 55.3407 29.0878 174.9726 9 V 4.3687 8.1935 125.1564 60.9103 33.8612 174.3515 10 R 4.2987 8.6522 127.2972 55.9133 31.5061 175.0370 11 G 3.9116 8.7878 113.7683 46.2301 0.0000 173.6317 12 R 3.9837 8.9104 124.4239 59.7624 30.1715 177.8732 13 E 3.9357 8.2865 118.3348 59.4135 29.6339 178.2037 14 N 4.3072 8.1284 116.3187 56.6706 39.1742 176.3541 15 F 4.4323 8.6542 122.4480 61.5078 39.4710 176.8894 16 E 3.7167 8.5999 118.4915 59.3944 29.1507 179.4151 17 I 3.6769 7.6220 119.4989 64.4844 37.1280 178.5906 18 L 4.0319 7.8616 119.5836 57.6306 41.4348 179.1499 19 M 3.8168 8.2713 118.5600 58.5694 32.1836 178.2059 20 K 3.8664 7.9967 119.7048 59.3901 32.2782 178.4812 21 L 4.3020 7.5955 121.8944 57.3165 41.9276 178.7130 22 K 3.9666 8.5658 120.1971 59.4199 31.9885 178.4405 23 E 3.9054 8.2182 119.8797 59.0946 29.5898 178.9067 24 S 4.0674 8.0155 114.2930 61.5209 62.8475 176.4969 25 L 3.9675 8.1877 121.9961 57.2961 41.8010 179.1137 26 E 4.1279 8.4068 118.6614 59.5201 29.4725 179.5171 27 L 4.0539 8.2671 119.1165 57.6195 41.4090 178.8607 28 M 4.2516 7.5972 117.0472 57.5628 32.1591 177.0209 29 E 4.3113 7.9603 115.9879 57.6728 30.4159 177.2100 30 L 4.5041 8.0873 119.5160 54.6559 41.2854 176.0466 31 V 4.0649 7.1095 120.3250 60.8821 32.7122 173.8875 32 P 4.1291 0.0000 0.0000 63.0589 32.3065 176.3100 33 Q 3.9747 8.9302 123.7407 59.0516 28.8404 177.0799 34 P 4.2487 0.0000 0.0000 65.8165 31.1129 177.9848 35 L 4.0377 7.8471 119.6381 57.7024 42.0455 178.8374 36 V 3.6920 7.8343 118.4315 65.7781 31.4512 177.4155 37 D 4.3499 8.3438 118.0274 57.4479 41.0428 178.1877 38 S 4.0813 7.9033 113.5600 61.5412 62.2902 175.5077 39 Y 4.0612 7.9173 121.7429 60.9303 38.5235 178.1755 40 R 3.5777 8.4586 119.2961 59.1184 29.9289 178.9430 41 Q 3.8400 7.8977 119.3603 59.2972 28.9373 178.0031 42 Q 3.9031 7.6646 119.0764 59.0287 29.0437 177.5751 43 Q 3.9569 7.8616 120.6491 58.3542 28.8862 177.4380 44 Q 4.0303 7.9189 120.1609 58.2037 29.0389 177.3226 45 L 4.1085 7.1829 121.4550 56.6151 42.4182 177.1704 46 L 4.3599 6.8487 113.6320 55.1332 43.2929 174.7372 47 Q 4.2671 8.6477 120.7662 56.3942 29.4135 176.0506 48 R 4.1025 7.7714 122.2162 56.4456 30.1094 176.2885 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 D 8.35 4.61 0.00 2.72 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 2 E 7.80 5.49 0.00 2.18 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 0.00 2.12 2.37 0.00 3 D 8.39 4.74 0.00 2.45 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 4 T 8.14 4.05 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 1.28 0.00 0.00 5 Y 8.29 4.47 0.00 2.95 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 6 Y 8.24 5.21 0.00 3.00 2.79 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 7 L 8.63 4.53 0.00 1.67 1.68 0.95 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 8 Q 8.67 4.18 0.00 2.08 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.45 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 9 V 8.19 4.37 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 1.16 0.00 0.00 1.04 0.00 0.00 10 R 8.65 4.30 0.00 1.79 1.79 0.00 3.44 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.54 0.00 11 G 8.79 3.91 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 0.00 0.00 0.00 12 R 8.91 3.98 0.00 1.98 2.00 0.00 3.42 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.85 0.00 13 E 8.29 3.94 0.00 2.09 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 2.40 2.40 0.00 14 N 8.13 4.31 0.00 2.84 3.19 0.00 0.00 6.94 7.74 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 15 F 8.65 4.43 0.00 3.13 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 16 E 8.60 3.72 0.00 2.11 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 2.59 2.50 0.00 17 I 7.62 3.68 1.98 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 1.52 1.41 0.91 0.00 0.00 18 L 7.86 4.03 0.00 1.77 1.74 1.09 0.77 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 19 M 8.27 3.82 0.00 1.62 1.44 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.25 0.00 20 K 8.00 3.87 0.00 1.85 1.89 0.00 1.54 0.00 0.00 1.53 0.00 0.00 2.95 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.40 1.46 7.81 21 L 7.60 4.30 0.00 1.74 1.78 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 22 K 8.57 3.97 0.00 1.81 2.03 0.00 1.69 0.00 0.00 1.56 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.54 1.64 7.81 23 E 8.22 3.91 0.00 2.06 2.06 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 2.28 2.29 0.00 24 S 8.02 4.07 0.00 4.07 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 25 L 8.19 3.97 0.00 1.71 1.78 0.93 0.93 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 26 E 8.41 4.13 0.00 2.14 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 2.35 2.49 0.00 27 L 8.27 4.05 0.00 1.76 1.69 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 28 M 7.60 4.25 0.00 1.98 2.23 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 2.60 2.57 0.00 29 E 7.96 4.31 0.00 2.20 2.06 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 2.49 2.30 0.00 30 L 8.09 4.50 0.00 1.75 1.80 0.91 0.82 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 31 V 7.11 4.06 2.06 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 0.89 0.00 0.00 0.94 0.00 0.00 32 P 0.00 4.13 0.00 2.19 2.02 0.00 3.66 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.18 0.00 33 Q 8.93 3.97 0.00 2.12 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.90 0.00 0.00 0.00 0.00 0.00 2.45 2.45 0.00 34 P 0.00 4.25 0.00 2.31 2.31 0.00 3.62 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.03 0.00 35 L 7.85 4.04 0.00 1.79 1.90 0.94 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 36 V 7.83 3.69 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 1.05 0.00 0.00 0.98 0.00 0.00 37 D 8.34 4.35 0.00 2.77 2.85 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.90 4.08 0.00 3.90 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 39 Y 7.92 4.06 0.00 3.10 3.13 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.46 3.58 0.00 2.06 1.94 0.00 3.23 0.00 0.00 3.13 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 2.02 0.00 41 Q 7.90 3.84 0.00 2.11 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.78 0.00 0.00 0.00 0.00 0.00 2.32 2.33 0.00 42 Q 7.66 3.90 0.00 2.07 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.86 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 43 Q 7.86 3.96 0.00 1.41 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.70 0.00 0.00 0.00 0.00 0.00 2.20 2.22 0.00 44 Q 7.92 4.03 0.00 2.24 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.64 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 45 L 7.18 4.11 0.00 1.57 1.84 0.90 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 46 L 6.85 4.36 0.00 1.75 1.56 0.93 0.81 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 47 Q 8.65 4.27 0.00 2.03 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 7.17 0.00 0.00 0.00 0.00 0.00 2.32 2.42 0.00 48 R 7.77 4.10 0.00 1.79 1.84 0.00 3.23 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 1.63 1.61 0.00