NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3453 8.2649 123.5876 51.9343 18.9626 174.3293 3 R 4.4594 7.8533 119.5358 53.6694 32.7287 175.3881 4 K 3.8276 9.3482 125.1052 59.7956 33.2609 178.1414 5 A 4.0110 8.2432 119.3710 55.5537 18.1297 178.3296 6 L 4.3905 8.0684 112.1580 55.6310 41.8920 177.6862 7 I 4.4741 7.8738 120.9971 60.5513 36.9220 176.0144 8 E 4.2918 7.8035 117.6200 56.7181 30.9030 178.1325 9 K 3.4177 8.1428 120.3416 59.8814 32.3206 177.6300 10 A 4.1176 7.8424 119.1791 53.8843 18.1283 178.6902 11 K 4.0825 8.6002 116.7097 56.4057 32.0722 178.1632 12 R 3.6895 7.4208 117.4156 56.4540 29.4349 179.3077 13 T 3.6239 7.0959 116.3006 64.8380 65.4148 172.0386 14 P 4.2425 0.0000 0.0000 62.9454 32.4546 179.8229 15 K 3.5094 8.1148 120.8634 57.2180 33.1460 175.8585 16 F 4.6074 8.8034 117.5150 56.2548 42.5002 174.9937 17 K 3.9640 9.0645 126.5021 59.5013 32.5075 178.2418 18 V 3.8627 8.0778 113.5710 64.3794 31.6786 178.4627 19 R 4.4794 8.0939 114.7242 56.5879 29.3250 176.3168 20 A 4.3017 8.0176 121.6734 52.1546 19.1500 178.2420 21 Y 4.4452 8.5468 116.1404 57.9708 38.9666 176.9574 22 T 2.7178 7.9032 111.5853 57.4251 72.5236 170.7369 23 R 4.2097 8.3464 124.1283 54.8552 31.0946 175.7363 24 C 4.5509 7.8582 122.4173 58.9069 32.2048 175.1523 25 V 3.7187 8.4004 126.9115 63.9974 31.3536 177.1094 26 R 4.3591 7.9556 119.2509 57.0361 30.6930 176.0736 27 C 4.6965 7.8988 108.3869 56.7010 30.9933 174.8479 28 G 3.9261 8.1271 108.3573 45.0490 0.0000 173.3056 29 R 4.0549 7.8056 120.6675 56.1723 28.6798 176.1502 30 A 4.3736 8.4377 126.0946 54.6484 19.0560 178.8814 31 R 4.0721 8.2442 115.3525 59.3859 30.4083 176.8348 32 S 4.7586 7.6235 109.9449 56.9743 62.2739 173.4180 33 V 4.2900 7.7207 120.4601 63.5692 32.9530 175.4029 34 Y 4.3653 9.1686 126.2589 57.0701 38.9082 176.0303 35 R 3.8878 9.2808 124.1561 59.7629 30.4812 178.3849 36 F 4.0602 8.3921 119.4299 60.4021 39.2569 175.8395 37 F 4.6811 8.4890 115.9904 56.5702 41.4276 176.8028 38 G 4.0784 8.8417 108.0508 45.3934 0.0000 173.1056 39 L 4.7806 7.4890 119.4799 53.5055 43.2881 176.3922 40 C 5.0045 8.2823 117.4868 57.4026 32.1101 174.7448 41 R 3.9188 8.0761 117.5061 59.7071 29.0136 178.7419 42 I 3.8222 7.6804 120.0013 64.1384 37.2608 177.5809 43 C 4.2824 8.0391 118.1563 62.3795 28.0448 176.0702 44 L 3.6378 7.8509 121.4389 57.9387 41.4763 179.1715 45 R 3.7284 8.1893 119.0589 59.1380 29.9540 178.1159 46 E 3.9635 8.0314 117.8297 59.6998 29.7162 179.3409 47 L 3.9735 8.2417 118.9421 57.6765 41.1159 179.4901 48 A 3.9850 7.9988 120.7942 55.3276 17.9895 179.4736 49 H 4.2658 7.7378 113.7650 58.9831 28.8889 177.9607 50 K 4.1964 7.7087 119.2883 57.5479 31.7944 178.1896 51 G 3.9015 7.6012 105.6475 45.9835 0.0000 173.7762 52 Q 4.2893 7.8081 115.6622 55.4980 28.9635 176.1809 53 L 4.5882 7.4918 120.0884 51.6660 41.6581 173.2482 54 P 4.2178 0.0000 0.0000 64.3229 31.1188 176.9528 55 G 3.8802 8.8251 109.1098 46.0717 0.0000 174.3332 56 V 3.9402 7.7464 120.3941 61.7274 30.0203 175.6343 57 R 4.3957 7.8304 125.5033 54.6567 32.4185 174.7136 58 K 4.4888 8.2729 116.1838 54.4953 33.7618 177.4882 59 A 4.1614 8.3822 125.7392 52.3099 18.6801 173.6416 60 S 4.6772 8.8288 107.9894 57.2553 63.7502 174.7690 61 W 4.6542 8.2525 125.6365 57.1432 27.3149 174.1792 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 A 8.26 4.35 1.34 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 0.00 0.00 0.00 3 R 7.85 4.46 0.00 1.97 1.85 0.00 3.19 0.00 0.00 3.36 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.73 0.00 4 K 9.35 3.83 0.00 1.82 1.91 0.00 1.70 0.00 0.00 1.83 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.55 1.49 7.81 5 A 8.24 4.01 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 6 L 8.07 4.39 0.00 1.81 1.80 0.96 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 7 I 7.87 4.47 1.97 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 1.39 0.97 0.90 0.00 0.00 8 E 7.80 4.29 0.00 2.15 2.37 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 2.33 2.31 0.00 9 K 8.14 3.42 0.00 1.28 1.66 0.00 1.61 0.00 0.00 1.50 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 0.50 0.89 7.81 10 A 7.84 4.12 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 11 K 8.60 4.08 0.00 1.78 1.86 0.00 1.86 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.53 7.81 12 R 7.42 3.69 0.00 1.93 1.79 0.00 3.32 0.00 0.00 3.20 7.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.70 0.00 13 T 7.10 3.62 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 1.17 0.00 0.00 14 P 0.00 4.24 0.00 2.48 2.32 0.00 3.76 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.95 0.00 15 K 8.11 3.51 0.00 2.04 1.98 0.00 1.85 0.00 0.00 1.86 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 0.66 1.12 7.81 16 F 8.80 4.61 0.00 3.14 2.90 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 17 K 9.06 3.96 0.00 1.87 2.02 0.00 1.49 0.00 0.00 1.75 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.63 7.81 18 V 8.08 3.86 2.12 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 0.74 0.00 0.00 1.02 0.00 0.00 19 R 8.09 4.48 0.00 1.93 2.09 0.00 3.36 0.00 0.00 3.33 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.81 0.00 20 A 8.02 4.30 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 21 Y 8.55 4.45 0.00 2.99 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 22 T 7.90 2.72 4.33 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 1.27 0.00 0.00 23 R 8.35 4.21 0.00 1.98 2.05 0.00 3.50 0.00 0.00 3.42 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.41 0.00 24 C 7.86 4.55 0.00 3.39 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 25 V 8.40 3.72 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 0.78 0.00 0.00 0.94 0.00 0.00 26 R 7.96 4.36 0.00 1.80 1.99 0.00 3.18 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 27 C 7.90 4.70 0.00 3.07 2.97 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 0.00 0.00 0.00 28 G 8.13 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 29 R 7.81 4.05 0.00 1.93 1.93 0.00 3.27 0.00 0.00 3.37 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.76 0.00 30 A 8.44 4.37 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 R 8.24 4.07 0.00 1.78 2.04 0.00 3.25 0.00 0.00 3.28 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.73 0.00 32 S 7.62 4.76 0.00 3.94 3.97 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 0.00 0.00 0.00 33 V 7.72 4.29 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 1.04 0.00 0.00 34 Y 9.17 4.37 0.00 3.25 3.19 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 0.00 0.00 0.00 0.00 35 R 9.28 3.89 0.00 1.98 2.06 0.00 3.19 0.00 0.00 3.30 7.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.71 0.00 36 F 8.39 4.06 0.00 2.89 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 37 F 8.49 4.68 0.00 3.23 3.03 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 38 G 8.84 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.49 4.78 0.00 1.73 1.54 0.90 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 40 C 8.28 5.00 0.00 3.21 3.14 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 0.00 0.00 0.00 0.00 41 R 8.08 3.92 0.00 2.10 2.30 0.00 3.10 0.00 0.00 3.28 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.71 0.00 42 I 7.68 3.82 1.87 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 1.65 0.54 0.91 0.00 0.00 43 C 8.04 4.28 0.00 2.94 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 44 L 7.85 3.64 0.00 1.36 1.51 0.17 -0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 45 R 8.19 3.73 0.00 1.78 2.05 0.00 3.15 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 46 E 8.03 3.96 0.00 2.15 1.98 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 2.40 2.58 0.00 47 L 8.24 3.97 0.00 1.72 1.68 0.91 0.99 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 48 A 8.00 3.99 1.26 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 0.00 0.00 0.00 49 H 7.74 4.27 0.00 3.35 3.33 0.00 5.67 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 K 7.71 4.20 0.00 1.84 1.88 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.46 7.81 51 G 7.60 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 0.00 0.00 0.00 52 Q 7.81 4.29 0.00 2.10 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.14 6.85 0.00 0.00 0.00 0.00 0.00 2.36 2.33 0.00 53 L 7.49 4.59 0.00 1.71 1.77 0.58 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 54 P 0.00 4.22 0.00 2.21 2.14 0.00 4.02 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.03 0.00 55 G 8.83 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 56 V 7.75 3.94 2.27 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 0.79 0.00 0.00 1.30 0.00 0.00 57 R 7.83 4.40 0.00 1.82 1.86 0.00 3.28 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 58 K 8.27 4.49 0.00 1.81 1.75 0.00 1.85 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.37 1.43 7.81 59 A 8.38 4.16 1.53 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 0.00 0.00 60 S 8.83 4.68 0.00 4.05 4.15 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 61 W 8.25 4.65 0.00 3.36 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00