NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4285 8.2893 120.3262 54.1159 32.3571 174.3681 2 P 4.2674 0.0000 0.0000 62.4070 32.9942 176.0551 3 R 4.1806 8.8671 119.6633 57.2011 32.2907 177.5352 4 L 4.9876 8.8920 120.1877 52.9818 44.7094 175.1492 5 K 4.5749 8.7975 126.1861 56.0962 33.8929 175.7606 6 V 4.7679 8.8586 126.7344 61.1415 35.1829 173.4963 7 K 5.3875 8.2489 128.1219 53.5101 34.5958 174.7241 8 L 4.4402 8.5319 130.2879 55.5516 42.4280 177.2188 9 V 4.4632 9.1880 118.5942 60.4124 34.5033 175.5957 10 K 4.2961 7.9074 120.5011 53.8557 33.1344 175.2301 11 S 4.0392 8.6832 121.1023 58.4698 62.6143 172.5437 12 P 4.0887 0.0000 0.0000 63.7177 31.8074 175.6117 13 I 3.8837 7.3068 120.4892 64.6502 36.7690 176.0363 14 G 4.0963 9.1688 113.7643 45.3696 0.0000 172.3777 15 Y 4.4883 8.0786 117.3216 55.5369 39.8048 174.2034 16 P 4.3122 0.0000 0.0000 62.8489 33.2672 177.3068 17 K 3.8842 8.7267 122.1611 59.8940 32.1701 178.5155 18 D 4.4000 8.2853 118.7566 57.0703 38.6472 178.8089 19 Q 3.9858 7.9974 117.5914 58.4259 29.0266 178.0691 20 K 4.0163 7.8797 119.3110 59.7566 32.1999 179.1607 21 A 4.0274 8.3177 120.5335 54.9708 18.2112 179.5049 22 A 3.9898 7.9078 119.5386 55.2563 18.3685 179.1568 23 L 4.1773 7.7215 114.3236 55.4301 41.4939 178.2834 24 K 4.2079 7.9222 120.9715 58.1833 32.9289 178.1559 25 A 4.0497 7.9614 120.1467 54.7330 18.5333 178.1614 26 L 4.1780 7.9975 114.6933 54.7590 42.4440 175.8999 27 G 3.6658 7.5811 107.9067 45.5003 0.0000 171.6003 28 L 5.3617 9.1145 119.5556 52.0868 43.3722 176.8047 29 R 3.9329 8.2792 125.5692 56.5240 30.3536 180.3519 30 R 4.4764 7.6191 121.9856 54.8345 32.7509 176.1674 31 L 4.2112 8.2171 119.0885 55.3879 42.7676 175.9790 32 Q 3.4091 8.5744 118.2049 56.6940 27.2245 173.5544 33 Q 4.4971 7.7721 117.8223 54.8938 30.6358 174.7907 34 E 4.5233 8.7533 125.6190 56.5943 31.0814 176.6640 35 R 4.0614 7.9680 116.5512 56.2003 33.5566 173.5765 36 V 4.9366 8.2697 128.7653 60.7238 30.3828 174.6948 37 L 4.4579 7.7264 125.8092 53.2742 44.2683 175.7342 38 E 4.5661 8.5098 120.0872 55.6725 30.8166 176.7433 39 D 5.0575 7.4050 115.8161 53.7426 39.5733 176.5678 40 T 4.3348 7.5103 110.3777 60.3230 70.6540 174.3359 41 P 4.3156 0.0000 0.0000 66.3867 31.5147 178.2128 42 A 4.0928 7.9850 119.2544 54.7473 18.3531 179.1409 43 I 3.6463 7.9712 116.8844 64.5449 37.2775 178.6145 44 R 3.9710 8.5998 119.1950 59.5078 29.9131 178.9217 45 G 3.9855 7.8218 104.5697 48.2626 0.0000 174.8522 46 N 4.2646 8.1289 117.7701 56.0520 38.5327 176.8525 47 V 3.6688 7.6115 118.8683 66.2266 31.3663 177.8060 48 E 3.9516 8.4659 119.0440 59.2560 29.4660 178.6279 49 K 4.3487 7.9842 115.0527 57.7688 32.1203 177.7788 50 V 4.2230 7.3776 110.9948 60.6795 33.8507 177.0575 51 A 3.9259 8.3523 127.2949 55.6950 18.1447 179.8887 52 H 4.5866 7.9786 107.4468 56.5893 28.7798 175.5505 53 L 4.6120 8.1113 120.0736 54.5724 43.8091 176.3547 54 V 4.8400 7.3687 110.6096 59.5217 35.1263 175.6005 55 R 4.3100 8.6087 124.7546 54.9730 30.6523 176.4519 56 V 3.9969 8.3026 124.3115 63.0363 32.8894 175.1121 57 E 4.6298 9.1626 124.4678 54.6802 33.7623 174.8167 58 V 3.9217 8.5537 125.1041 62.2068 32.3493 175.8453 59 V 4.0834 8.1889 128.0981 62.9934 31.7997 175.1104 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 4.43 0.00 2.04 2.12 0.00 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.48 0.00 2 P 0.00 4.27 0.00 2.44 2.20 0.00 3.72 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 2.08 2.06 0.00 3 R 8.87 4.18 0.00 1.83 1.91 0.00 3.06 0.00 0.00 3.16 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 4 L 8.89 4.99 0.00 1.72 1.53 1.02 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 5 K 8.80 4.57 0.00 1.86 1.66 0.00 1.57 0.00 0.00 1.57 0.00 0.00 2.79 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.42 1.38 7.81 6 V 8.86 4.77 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 0.86 0.00 0.00 1.03 0.00 0.00 7 K 8.25 5.39 0.00 2.00 1.61 0.00 1.84 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.31 1.29 7.81 8 L 8.53 4.44 0.00 1.70 1.51 0.93 0.88 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 9 V 9.19 4.46 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 0.80 0.00 0.00 0.96 0.00 0.00 10 K 7.91 4.30 0.00 1.60 1.55 0.00 1.87 0.00 0.00 1.45 0.00 0.00 2.76 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.28 1.31 7.81 11 S 8.68 4.04 0.00 3.85 3.78 0.00 0.00 0.00 0.00 0.00 0.00 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 4.09 0.00 2.24 2.18 0.00 3.72 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 2.05 1.95 0.00 13 I 7.31 3.88 1.92 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 1.25 0.83 0.95 0.00 0.00 14 G 9.17 4.10 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 0.00 0.00 0.00 15 Y 8.08 4.49 0.00 3.08 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 16 P 0.00 4.31 0.00 2.36 2.00 0.00 3.81 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 2.17 2.18 0.00 17 K 8.73 3.88 0.00 1.80 1.83 0.00 1.77 0.00 0.00 1.88 0.00 0.00 3.04 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.53 1.47 7.81 18 D 8.29 4.40 0.00 2.92 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 19 Q 8.00 3.99 0.00 2.29 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.02 0.00 0.00 0.00 0.00 0.00 2.43 2.52 0.00 20 K 7.88 4.02 0.00 1.97 1.89 0.00 1.70 0.00 0.00 1.67 0.00 0.00 3.21 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.49 1.66 7.81 21 A 8.32 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 22 A 7.91 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 23 L 7.72 4.18 0.00 1.85 1.67 0.94 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 24 K 7.92 4.21 0.00 1.81 2.01 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.35 1.42 7.81 25 A 7.96 4.05 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.00 4.18 0.00 1.64 1.72 0.90 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 27 G 7.58 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 9.11 5.36 0.00 1.45 1.57 0.93 0.85 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 29 R 8.28 3.93 0.00 1.79 1.79 0.00 3.35 0.00 0.00 3.27 7.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.55 0.00 30 R 7.62 4.48 0.00 1.90 1.96 0.00 3.02 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 31 L 8.22 4.21 0.00 1.60 1.59 0.93 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 32 Q 8.57 3.41 0.00 2.13 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.45 0.00 0.00 0.00 0.00 0.00 2.30 2.41 0.00 33 Q 7.77 4.50 0.00 2.20 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.67 7.04 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 34 E 8.75 4.52 0.00 1.89 1.85 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 2.30 2.24 0.00 35 R 7.97 4.06 0.00 1.99 1.89 0.00 3.09 0.00 0.00 3.08 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.51 0.00 36 V 8.27 4.94 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 1.08 0.00 0.00 0.92 0.00 0.00 37 L 7.73 4.46 0.00 1.64 1.58 0.91 0.92 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 38 E 8.51 4.57 0.00 1.83 1.92 0.00 0.00 0.00 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 2.36 0.00 39 D 7.41 5.06 0.00 2.85 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 7.51 4.33 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 4.32 0.00 2.04 2.19 0.00 3.68 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.18 0.00 42 A 7.98 4.09 1.29 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 0.00 0.00 0.00 0.00 0.00 0.00 43 I 7.97 3.65 1.87 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 1.52 1.60 0.90 0.00 0.00 44 R 8.60 3.97 0.00 1.98 1.99 0.00 3.16 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.83 0.00 45 G 7.82 3.99 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 0.00 0.00 0.00 46 N 8.13 4.26 0.00 2.84 2.90 0.00 0.00 6.80 7.68 0.00 0.00 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 7.61 3.67 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.95 0.00 0.00 48 E 8.47 3.95 0.00 2.05 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 49 K 7.98 4.35 0.00 1.77 1.87 0.00 1.74 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.69 1.64 7.81 50 V 7.38 4.22 1.96 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 0.73 0.00 0.00 1.00 0.00 0.00 51 A 8.35 3.93 1.38 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 0.00 0.00 52 H 7.98 4.59 0.00 3.27 3.46 0.00 5.66 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 53 L 8.11 4.61 0.00 1.59 1.69 0.61 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 54 V 7.37 4.84 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 0.63 0.00 0.00 0.91 0.00 0.00 55 R 8.61 4.31 0.00 1.74 1.87 0.00 3.28 0.00 0.00 3.09 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.71 0.00 56 V 8.30 4.00 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 0.76 0.00 0.00 0.92 0.00 0.00 57 E 9.16 4.63 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 2.36 2.37 0.00 58 V 8.55 3.92 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 0.74 0.00 0.00 0.93 0.00 0.00 59 V 8.19 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 0.88 0.00 0.00 0.97 0.00 0.00