NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4672 8.2893 120.3260 54.4426 33.5757 176.0435 2 P 4.4195 0.0000 0.0000 63.8505 29.0316 173.4471 3 R 3.7797 7.4650 124.9457 52.1466 34.0821 176.3020 4 L 5.0270 8.8014 121.9864 52.9145 44.8667 175.6320 5 K 4.7769 8.9494 124.5475 54.8717 34.3557 174.5409 6 V 4.5482 8.3089 121.2706 59.6397 33.7904 175.1459 7 K 4.8177 8.4954 126.7878 54.1643 34.8132 174.7838 8 L 4.3799 8.4808 130.9127 55.4538 42.6496 177.1014 9 V 4.5073 8.8806 119.1515 60.7785 33.0884 175.8433 10 K 4.4807 7.7810 121.4511 54.2102 34.9519 175.6328 11 S 4.1599 8.8907 121.1556 58.3463 62.6515 172.0567 12 P 4.6787 0.0000 0.0000 63.4347 31.6841 175.3568 13 I 3.8278 7.2411 119.6333 65.9255 36.4631 175.7047 14 G 3.9589 8.8403 112.8812 45.3546 0.0000 171.9588 15 Y 4.6606 7.9043 117.1981 55.0942 40.3357 174.3029 16 P 4.3452 0.0000 0.0000 62.8067 33.4892 177.2386 17 K 3.8688 8.8116 120.3838 59.8959 31.9605 178.7698 18 D 4.4383 8.1949 118.4612 57.1759 38.8449 178.7936 19 Q 3.9707 8.1858 119.2949 58.4740 28.3331 179.1358 20 K 4.0561 8.0321 119.0083 59.0841 31.9592 179.3354 21 A 4.0227 8.0981 121.2422 54.7524 18.1986 179.4694 22 A 3.9076 8.2786 119.6800 55.3629 18.3891 179.6702 23 L 3.8865 7.6595 117.4726 57.9206 41.6818 179.7629 24 K 3.8942 7.7334 118.7149 59.5047 31.9335 178.7479 25 A 4.0332 7.9844 120.1676 54.8846 18.3962 178.8967 26 L 4.2647 8.0751 115.6563 55.0829 41.9846 178.0661 27 G 3.8250 7.8034 107.0509 45.4812 0.0000 173.1358 28 L 5.1908 7.9018 119.6888 53.0921 41.9135 175.6154 29 R 4.4065 8.7563 121.1399 57.6230 32.0763 176.8989 30 R 4.3934 7.5236 115.6132 54.8809 31.7529 176.6100 31 L 4.1271 8.1140 119.7797 55.8760 42.2287 178.7540 32 Q 3.7181 9.0855 117.8419 56.4588 27.9045 174.0613 33 Q 4.1800 7.7590 120.5915 56.0455 30.0312 174.5596 34 E 5.0582 8.7198 125.3409 54.9996 32.5047 175.8945 35 R 4.5007 8.7560 121.5823 54.9447 34.5495 174.6999 36 V 4.4188 8.5162 118.5924 60.8828 32.3959 175.5044 37 L 4.8375 8.7788 125.3525 51.6090 45.6384 178.1178 38 E 4.4757 8.6197 118.9427 55.4091 31.1969 178.9052 39 D 4.4632 8.5927 126.4544 55.2278 43.1339 175.5678 40 T 4.0436 7.9116 109.4676 61.3056 70.2885 172.7451 41 P 4.3644 0.0000 0.0000 65.2412 31.1219 179.0412 42 A 3.9820 7.8707 119.5569 55.1994 18.8777 179.4223 43 I 3.7631 7.8711 117.5437 63.4425 37.0770 178.0207 44 R 4.2562 7.5205 118.5440 57.8522 30.3525 178.1129 45 G 3.7425 7.9069 108.0268 48.8169 0.0000 174.9566 46 N 4.5267 7.9736 116.6838 54.4564 38.9158 177.1736 47 V 3.8113 6.8414 116.8471 64.7758 32.5669 177.1055 48 E 4.0701 8.8330 120.0067 59.3235 29.5850 178.7923 49 K 3.8019 7.9162 118.5810 59.4633 32.3353 177.8606 50 V 3.9636 7.2120 109.8645 60.8796 31.5410 177.5459 51 A 3.9913 7.8317 127.1602 55.8021 18.0827 180.0555 52 H 4.3416 7.7864 107.9647 56.8006 29.2360 175.4452 53 L 4.5443 8.1427 120.1074 54.5955 44.2889 176.3260 54 V 4.7383 7.1661 117.2768 60.8983 34.4282 175.2480 55 R 4.4935 8.5905 125.0144 54.6843 32.3771 174.2385 56 V 4.7317 8.3935 126.4202 61.5635 33.4282 174.2087 57 E 4.7839 8.9219 126.2649 54.4125 33.9465 174.2129 58 V 4.6780 8.3537 122.4021 61.1298 33.2614 175.4433 59 V 4.0797 8.2442 127.4690 63.0147 31.2386 175.0826 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 M 8.29 4.47 0.00 2.02 2.06 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.53 0.00 2 P 0.00 4.42 0.00 2.25 2.10 0.00 3.79 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.04 0.00 3 R 7.47 3.78 0.00 1.96 1.83 0.00 3.08 0.00 0.00 3.33 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.84 0.00 4 L 8.80 5.03 0.00 1.71 1.53 0.97 0.69 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 5 K 8.95 4.78 0.00 1.78 1.66 0.00 1.61 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.30 1.37 7.81 6 V 8.31 4.55 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 0.58 0.00 0.00 0.99 0.00 0.00 7 K 8.50 4.82 0.00 1.81 1.76 0.00 1.82 0.00 0.00 1.57 0.00 0.00 2.86 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.30 1.33 7.81 8 L 8.48 4.38 0.00 1.68 1.54 0.97 1.28 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 9 V 8.88 4.51 2.08 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 0.70 0.00 0.00 1.04 0.00 0.00 10 K 7.78 4.48 0.00 1.65 1.60 0.00 1.86 0.00 0.00 1.71 0.00 0.00 3.19 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.47 7.81 11 S 8.89 4.16 0.00 3.91 3.85 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 12 P 0.00 4.68 0.00 2.33 2.27 0.00 3.80 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.00 0.00 13 I 7.24 3.83 1.90 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 1.26 0.58 0.92 0.00 0.00 14 G 8.84 3.96 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 0.00 0.00 0.00 15 Y 7.90 4.66 0.00 3.13 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 16 P 0.00 4.35 0.00 2.26 2.06 0.00 4.00 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.26 0.00 17 K 8.81 3.87 0.00 1.78 1.89 0.00 1.73 0.00 0.00 1.89 0.00 0.00 3.05 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.55 1.48 7.81 18 D 8.19 4.44 0.00 2.87 2.98 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 0.00 0.00 0.00 19 Q 8.19 3.97 0.00 2.32 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.95 0.00 0.00 0.00 0.00 0.00 2.48 2.52 0.00 20 K 8.03 4.06 0.00 1.88 1.88 0.00 1.69 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.51 7.81 21 A 8.10 4.02 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 22 A 8.28 3.91 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 23 L 7.66 3.89 0.00 1.82 1.91 0.94 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 24 K 7.73 3.89 0.00 1.83 2.05 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.46 7.81 25 A 7.98 4.03 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.08 4.26 0.00 1.73 1.71 0.89 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 27 G 7.80 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 L 7.90 5.19 0.00 1.61 1.62 0.92 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 29 R 8.76 4.41 0.00 1.77 1.94 0.00 3.20 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.61 0.00 30 R 7.52 4.39 0.00 1.80 1.85 0.00 3.21 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 31 L 8.11 4.13 0.00 1.71 1.59 0.93 0.80 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 32 Q 9.09 3.72 0.00 2.16 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.83 0.00 0.00 0.00 0.00 0.00 2.28 2.42 0.00 33 Q 7.76 4.18 0.00 2.19 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.76 0.00 0.00 0.00 0.00 0.00 2.35 2.34 0.00 34 E 8.72 5.06 0.00 1.87 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 2.22 2.43 0.00 35 R 8.76 4.50 0.00 1.69 1.77 0.00 3.11 0.00 0.00 3.24 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 36 V 8.52 4.42 2.08 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 0.68 0.00 0.00 0.93 0.00 0.00 37 L 8.78 4.84 0.00 1.52 1.54 0.97 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 38 E 8.62 4.48 0.00 1.84 1.62 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 2.31 2.26 0.00 39 D 8.59 4.46 0.00 2.56 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.91 4.04 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 41 P 0.00 4.36 0.00 2.18 2.13 0.00 3.59 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.14 0.00 42 A 7.87 3.98 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 43 I 7.87 3.76 1.86 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 1.40 1.09 0.90 0.00 0.00 44 R 7.52 4.26 0.00 2.13 1.97 0.00 3.10 0.00 0.00 3.16 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.62 0.00 45 G 7.91 3.74 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 0.00 0.00 0.00 46 N 7.97 4.53 0.00 2.75 2.85 0.00 0.00 6.66 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 V 6.84 3.81 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 0.74 0.00 0.00 0.99 0.00 0.00 48 E 8.83 4.07 0.00 2.12 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 2.54 2.38 0.00 49 K 7.92 3.80 0.00 1.87 1.83 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.46 1.44 7.81 50 V 7.21 3.96 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 0.56 0.00 0.00 0.94 0.00 0.00 51 A 7.83 3.99 1.37 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 0.00 0.00 0.00 0.00 0.00 52 H 7.79 4.34 0.00 3.21 3.42 0.00 5.68 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 L 8.14 4.54 0.00 1.44 1.68 0.62 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 54 V 7.17 4.74 2.02 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 0.72 0.00 0.00 0.87 0.00 0.00 55 R 8.59 4.49 0.00 1.89 1.73 0.00 3.12 0.00 0.00 3.09 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.52 0.00 56 V 8.39 4.73 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 0.85 0.00 0.00 0.91 0.00 0.00 57 E 8.92 4.78 0.00 2.04 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.21 0.00 58 V 8.35 4.68 2.08 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 0.89 0.00 0.00 0.93 0.00 0.00 59 V 8.24 4.08 2.08 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 0.79 0.00 0.00 0.93 0.00 0.00