NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 R 4.3156 8.2544 117.2853 55.2631 31.6270 174.8016 3 E 4.5225 7.8038 118.8387 52.2372 32.4991 174.8936 4 I 4.0926 8.9351 119.9183 58.6312 36.7963 176.1346 5 K 4.5145 6.8921 121.2244 55.2817 35.1386 175.6643 6 G 4.1071 7.0842 114.3080 46.1134 0.0000 167.7464 7 Y 4.7827 8.4503 121.4828 57.2936 42.7354 173.9850 8 E 5.0133 8.2628 119.1727 55.7252 32.8562 173.8051 9 Y 4.8510 9.0569 123.5477 56.2961 41.7619 174.4712 10 Q 5.1305 8.7925 120.5819 54.3190 31.7655 174.9181 11 L 4.8993 8.8441 121.5481 53.3707 46.7866 175.3441 12 Y 4.6804 8.7562 119.0161 56.5941 39.2414 174.9861 13 V 4.4474 8.4481 125.1485 61.2846 34.0894 173.9945 14 Y 5.0503 8.7524 124.9734 56.7386 39.2665 175.0578 15 A 4.6556 8.9371 126.9699 51.7288 22.2751 176.0481 16 S 4.0970 9.5558 119.9293 60.5221 60.3790 171.7699 17 D 4.6839 8.4523 111.4415 55.3617 38.8737 174.2652 18 K 4.6502 8.1565 115.1165 54.4828 36.3352 174.9630 19 L 4.5676 7.6525 122.3755 53.2549 44.4405 175.1313 20 F 4.9456 8.7921 123.4727 55.6600 44.0513 173.6675 21 R 4.7129 8.8128 119.9091 54.4550 32.1915 175.3067 22 A 5.0532 8.6043 125.2638 50.1702 22.6220 174.1486 23 D 5.3372 8.7759 122.3570 52.8053 43.2975 175.6276 24 I 5.0299 8.5678 124.4300 59.5543 40.6202 175.1965 25 S 5.3048 8.6520 119.3420 57.2532 66.6848 173.1507 26 E 4.8404 8.4092 120.0777 55.4846 31.5130 173.0500 27 D 4.6951 8.7731 128.1220 54.3089 41.9115 176.0626 28 Y 4.0387 8.5901 127.7024 61.2432 38.7751 177.8967 29 K 4.1027 8.6931 117.5911 59.6770 32.3181 178.6725 30 T 4.0730 7.9740 106.5135 62.2481 69.2908 174.9284 31 R 3.9267 8.0986 119.8938 57.1009 27.6936 177.0992 32 G 3.8783 7.6234 106.0024 46.1757 0.0000 173.6817 33 R 5.3969 8.2782 125.4690 54.7305 31.7204 176.0528 34 K 4.5689 8.1878 120.0876 54.3640 35.5225 175.0271 35 L 4.3831 8.7556 129.9678 55.6551 42.2953 175.5027 36 L 4.6405 8.5714 125.3899 56.1561 43.3498 177.1313 37 R 4.8110 7.7264 116.2964 54.5928 34.8288 173.7645 38 F 5.2836 8.7639 124.4086 56.8639 42.4640 173.2471 39 N 5.2074 8.6032 122.1097 51.6230 43.4460 174.0020 40 G 4.0143 8.2338 108.4457 45.5784 0.0000 170.4823 41 P 4.2481 0.0000 0.0000 62.1407 32.1372 176.4772 42 V 4.3915 7.9022 114.6907 58.6964 34.7594 174.0023 43 P 4.5203 0.0000 0.0000 61.1864 31.9727 175.0822 44 P 4.3899 0.0000 0.0000 62.2024 32.0146 174.5959 45 P 4.3429 0.0000 0.0000 63.0240 31.4821 175.6707 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 2 R 8.25 4.32 0.00 1.93 2.15 0.00 3.01 0.00 0.00 3.23 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.71 0.00 3 E 7.80 4.52 0.00 1.99 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 2.35 0.00 4 I 8.94 4.09 1.82 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 1.38 0.66 0.89 0.00 0.00 5 K 6.89 4.51 0.00 1.79 1.65 0.00 1.60 0.00 0.00 1.86 0.00 0.00 2.94 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.31 1.17 7.81 6 G 7.08 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 7 Y 8.45 4.78 0.00 2.79 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 8 E 8.26 5.01 0.00 1.94 1.76 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 2.37 2.40 0.00 9 Y 9.06 4.85 0.00 2.99 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 10 Q 8.79 5.13 0.00 1.94 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.79 0.00 0.00 0.00 0.00 0.00 2.46 2.37 0.00 11 L 8.84 4.90 0.00 1.61 1.48 0.97 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 12 Y 8.76 4.68 0.00 2.81 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 13 V 8.45 4.45 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 1.15 0.00 0.00 0.93 0.00 0.00 14 Y 8.75 5.05 0.00 2.98 2.94 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 0.00 0.00 0.00 15 A 8.94 4.66 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 16 S 9.56 4.10 0.00 4.17 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 17 D 8.45 4.68 0.00 2.88 2.81 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 18 K 8.16 4.65 0.00 2.07 1.29 0.00 1.88 0.00 0.00 1.61 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.37 1.71 7.81 19 L 7.65 4.57 0.00 1.17 1.12 0.76 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 20 F 8.79 4.95 0.00 2.52 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 0.00 0.00 0.00 0.00 21 R 8.81 4.71 0.00 1.56 1.58 0.00 2.73 0.00 0.00 2.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 1.39 0.00 22 A 8.60 5.05 1.12 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 0.00 0.00 23 D 8.78 5.34 0.00 2.64 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 24 I 8.57 5.03 1.95 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.12 0.97 0.00 0.00 25 S 8.65 5.30 0.00 3.95 4.04 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 26 E 8.41 4.84 0.00 2.52 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 0.00 2.45 2.45 0.00 27 D 8.77 4.70 0.00 2.79 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 8.59 4.04 0.00 2.98 2.96 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 0.00 0.00 0.00 29 K 8.69 4.10 0.00 1.85 1.87 0.00 1.80 0.00 0.00 1.80 0.00 0.00 3.11 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.57 1.54 7.81 30 T 7.97 4.07 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 1.23 0.00 0.00 31 R 8.10 3.93 0.00 2.02 2.14 0.00 3.36 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.69 0.00 32 G 7.62 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 0.00 0.00 0.00 33 R 8.28 5.40 0.00 1.72 1.87 0.00 3.18 0.00 0.00 3.73 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.50 0.00 34 K 8.19 4.57 0.00 1.85 1.63 0.00 1.65 0.00 0.00 1.60 0.00 0.00 2.78 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.34 1.37 7.81 35 L 8.76 4.38 0.00 1.69 1.56 1.04 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 36 L 8.57 4.64 0.00 1.87 1.71 0.98 1.02 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 37 R 7.73 4.81 0.00 1.72 1.78 0.00 3.21 0.00 0.00 3.30 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 38 F 8.76 5.28 0.00 2.94 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 39 N 8.60 5.21 0.00 2.69 2.65 0.00 0.00 6.34 6.90 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 40 G 8.23 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 0.00 0.00 0.00 41 P 0.00 4.25 0.00 1.73 1.55 0.00 3.57 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 1.92 1.96 0.00 42 V 7.90 4.39 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 0.59 0.00 0.00 0.84 0.00 0.00 43 P 0.00 4.52 0.00 2.03 1.95 0.00 3.68 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.04 0.00 44 P 0.00 4.39 0.00 2.17 2.07 0.00 3.74 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.97 0.00 45 P 0.00 4.34 0.00 1.88 1.69 0.00 3.63 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.74 0.00