NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.7510 8.1200 121.1845 56.6612 34.0684 177.4649 3 L 3.6865 8.0812 118.9286 56.3382 41.6420 176.0119 4 S 4.1516 8.6787 114.8752 59.1905 64.5106 176.0192 5 E 3.6851 8.0413 119.2374 58.3602 29.9012 179.3223 6 V 4.4586 7.3758 118.3753 64.8566 31.6221 177.2995 7 R 4.3543 8.9301 117.8790 57.5832 30.2808 178.5027 8 K 3.8972 7.8086 119.1438 59.7576 32.5055 178.4627 9 Q 4.9312 8.0160 119.6031 58.6482 28.5547 179.9367 10 L 3.9498 7.7081 119.0037 57.9526 41.5234 179.1513 11 E 3.9532 8.3627 118.7537 59.7305 29.3599 178.6515 12 E 3.9391 9.4354 118.7455 59.8501 29.4886 179.2899 13 A 3.9335 8.3640 119.6355 55.9818 18.4997 180.1139 14 R 3.8074 7.5743 115.3976 58.2061 30.8906 177.7083 15 K 4.6531 7.5619 115.8670 56.6867 32.4858 176.2894 16 L 4.5967 7.9272 115.5279 54.3182 43.6419 177.6870 17 S 4.1877 8.0618 112.9160 57.3916 62.9271 168.4674 18 P 4.3072 0.0000 0.0000 65.5636 30.7684 178.3790 19 V 3.5861 7.7737 120.0243 66.0041 31.5912 176.8982 20 E 3.9042 8.1773 117.9045 57.8418 29.2557 178.5132 21 L 3.8929 7.9336 117.9116 58.2346 42.0595 179.4890 22 E 3.9994 8.0120 117.6413 59.7562 29.2234 179.7052 23 K 4.0935 8.1563 116.9484 58.8066 32.4102 178.7317 24 L 4.1739 7.7711 121.0383 57.5464 42.0501 178.3987 25 V 3.5544 8.4338 118.3214 66.5512 31.2981 178.2778 26 R 3.8890 7.4476 115.9991 59.8778 30.1295 178.3914 27 E 4.0756 8.4571 118.0874 59.1634 29.5442 179.3377 28 K 3.9055 8.0615 117.8571 59.7903 32.0845 179.1932 29 K 3.9716 8.4071 118.8178 59.4711 31.6784 179.2190 30 R 3.7051 8.2199 119.2936 59.9409 29.8212 177.7787 31 E 3.9641 8.2531 117.8571 59.1108 29.0654 178.4854 32 L 3.9922 8.6282 120.7071 58.7376 42.1080 179.2013 33 M 4.1048 8.7818 118.6428 58.2085 32.1944 177.6038 34 E 4.1967 9.2091 118.5957 58.5240 29.9683 177.6522 35 L 4.2569 8.4612 121.6785 57.5351 42.2511 178.2545 36 R 3.7850 7.9658 115.4478 59.5493 29.0490 178.3234 37 F 3.9986 8.1985 120.3584 60.2812 39.6579 175.9131 38 Q 4.6413 8.8666 115.4951 56.3738 29.8182 177.3722 39 A 4.0602 8.0118 121.9733 54.7307 18.6764 178.7410 40 S 4.4858 8.4323 112.8387 60.0318 63.3488 176.4783 41 I 4.1122 7.3240 112.8564 60.8504 38.3500 178.3649 42 G 3.7475 9.0455 114.8023 46.9725 0.0000 176.9850 43 Q 4.0061 9.2918 116.4931 56.7448 30.0811 176.0087 44 L 3.6034 8.2966 119.0985 53.8095 38.0584 174.0443 45 S 4.6022 7.5763 110.2823 57.9302 64.4743 177.2619 46 Q 4.5637 8.4411 121.1750 56.5824 33.7651 174.2084 47 N 3.9883 8.7946 112.6471 52.2420 40.6627 178.4314 48 H 3.7426 9.1281 124.1600 58.6797 30.6086 176.8360 49 K 4.3742 6.6908 121.3327 58.0349 31.9146 178.2936 50 I 3.8174 7.8818 120.8131 63.9178 37.1656 178.3740 51 R 4.0075 7.9789 116.3828 59.2358 28.9408 177.3707 52 D 4.5452 8.1580 120.1273 56.2447 41.0069 178.3036 53 L 3.7521 7.7922 121.0053 58.7885 42.5670 179.2457 54 K 4.0994 8.3427 118.6962 58.8936 32.0700 179.2596 55 R 3.8834 8.0734 119.0131 59.3877 29.8362 179.3451 56 Q 3.9866 8.8259 118.6073 59.1217 28.9319 178.4501 57 I 3.6969 8.0849 120.6944 64.6712 36.7124 177.3891 58 A 3.7910 7.6010 119.4758 56.3290 18.0078 179.8042 59 R 4.1650 7.9564 112.9490 58.9424 29.9338 179.1164 60 L 3.7764 7.2679 119.9911 57.6020 42.5057 178.7149 61 L 4.1655 7.9569 118.7646 58.0440 41.8055 179.1471 62 T 3.8703 7.4722 114.5978 66.8899 68.3323 176.8083 63 V 3.6659 8.2019 121.2370 64.7190 31.7261 178.2140 64 L 4.1496 8.0886 118.8241 56.2009 41.0945 178.7187 65 N 4.5032 7.7234 116.3363 55.7385 39.4372 176.6725 66 E 4.0966 7.9819 118.3602 59.7209 29.3583 178.5413 67 K 4.1045 8.4565 119.8902 58.2373 32.0593 179.1471 68 R 3.8288 7.6462 120.0312 59.5377 30.2875 178.5088 69 R 4.0233 7.5946 115.1943 57.8401 30.1854 177.9155 70 Q 3.9638 8.5638 115.0045 55.3448 27.8815 171.2480 71 N 4.4623 7.5192 118.5546 53.2005 45.7800 174.9605 72 A 4.2982 7.8101 126.4418 52.4147 19.3927 175.7401 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 K 8.12 4.75 0.00 1.85 1.87 0.00 1.87 0.00 0.00 1.80 0.00 0.00 3.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.42 1.47 7.81 3 L 8.08 3.69 0.00 1.72 1.73 0.92 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 4 S 8.68 4.15 0.00 4.04 3.92 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 0.00 0.00 0.00 5 E 8.04 3.69 0.00 2.17 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 0.00 2.41 2.43 0.00 6 V 7.38 4.46 2.32 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 0.97 0.00 0.00 0.98 0.00 0.00 7 R 8.93 4.35 0.00 1.74 1.94 0.00 3.18 0.00 0.00 3.09 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 8 K 7.81 3.90 0.00 1.90 1.79 0.00 1.76 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.53 7.81 9 Q 8.02 4.93 0.00 2.14 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.60 0.00 0.00 0.00 0.00 0.00 2.40 2.51 0.00 10 L 7.71 3.95 0.00 1.80 1.71 0.98 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 11 E 8.36 3.95 0.00 2.10 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 2.33 2.61 0.00 12 E 9.44 3.94 0.00 2.27 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 2.34 2.50 0.00 13 A 8.36 3.93 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 14 R 7.57 3.81 0.00 1.98 2.02 0.00 3.29 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.77 0.00 15 K 7.56 4.65 0.00 1.88 1.84 0.00 1.54 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.60 1.45 7.81 16 L 7.93 4.60 0.00 1.67 1.82 0.97 0.76 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 17 S 8.06 4.19 0.00 4.18 4.13 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 18 P 0.00 4.31 0.00 2.28 2.27 0.00 3.73 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 2.07 2.02 0.00 19 V 7.77 3.59 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 0.85 0.00 0.00 0.93 0.00 0.00 20 E 8.18 3.90 0.00 2.13 1.99 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 2.33 2.40 0.00 21 L 7.93 3.89 0.00 1.83 1.73 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 22 E 8.01 4.00 0.00 2.03 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 0.00 2.34 2.54 0.00 23 K 8.16 4.09 0.00 1.86 1.87 0.00 1.71 0.00 0.00 1.63 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.44 7.81 24 L 7.77 4.17 0.00 1.68 1.81 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 25 V 8.43 3.55 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 1.06 0.00 0.00 1.00 0.00 0.00 26 R 7.45 3.89 0.00 1.92 2.03 0.00 3.22 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.95 0.00 27 E 8.46 4.08 0.00 2.16 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 2.33 2.54 0.00 28 K 8.06 3.91 0.00 1.92 1.90 0.00 1.68 0.00 0.00 1.97 0.00 0.00 2.94 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.55 1.53 7.81 29 K 8.41 3.97 0.00 1.97 1.86 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.45 7.81 30 R 8.22 3.71 0.00 1.87 2.07 0.00 3.10 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 31 E 8.25 3.96 0.00 2.23 1.94 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 2.41 2.38 0.00 32 L 8.63 3.99 0.00 1.85 1.86 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 33 M 8.78 4.10 0.00 2.28 2.08 0.00 0.00 0.00 0.00 0.00 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.86 0.00 34 E 9.21 4.20 0.00 2.18 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 0.00 2.31 2.36 0.00 35 L 8.46 4.26 0.00 1.90 1.59 0.91 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 36 R 7.97 3.79 0.00 2.06 2.19 0.00 2.75 0.00 0.00 3.05 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.58 0.00 37 F 8.20 4.00 0.00 3.41 3.05 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.87 4.64 0.00 2.27 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.56 0.00 0.00 0.00 0.00 0.00 2.54 2.41 0.00 39 A 8.01 4.06 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.43 4.49 0.00 4.03 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 41 I 7.32 4.11 1.91 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.65 1.04 0.00 0.00 42 G 9.05 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 9.29 4.01 0.00 2.06 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.60 0.00 0.00 0.00 0.00 0.00 2.38 2.42 0.00 44 L 8.30 3.60 0.00 1.81 1.72 0.93 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 45 S 7.58 4.60 0.00 3.92 3.79 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 46 Q 8.44 4.56 0.00 2.07 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.40 0.00 0.00 0.00 0.00 0.00 2.37 2.35 0.00 47 N 8.79 3.99 0.00 2.92 1.92 0.00 0.00 6.92 8.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 H 9.13 3.74 0.00 3.52 3.54 0.00 5.49 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 K 6.69 4.37 0.00 2.21 1.76 0.00 1.63 0.00 0.00 1.58 0.00 0.00 3.10 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.18 1.60 7.81 50 I 7.88 3.82 1.86 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 1.57 0.90 0.90 0.00 0.00 51 R 7.98 4.01 0.00 2.03 2.22 0.00 2.98 0.00 0.00 3.35 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.79 0.00 52 D 8.16 4.55 0.00 2.88 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 L 7.79 3.75 0.00 1.91 1.71 0.95 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 54 K 8.34 4.10 0.00 1.85 1.77 0.00 1.74 0.00 0.00 1.64 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.62 7.81 55 R 8.07 3.88 0.00 2.02 2.02 0.00 3.21 0.00 0.00 3.17 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.83 0.00 56 Q 8.83 3.99 0.00 2.32 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.78 0.00 0.00 0.00 0.00 0.00 2.38 2.54 0.00 57 I 8.08 3.70 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 1.73 1.25 0.91 0.00 0.00 58 A 7.60 3.79 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 R 7.96 4.16 0.00 2.02 2.20 0.00 3.34 0.00 0.00 3.23 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.48 0.00 60 L 7.27 3.78 0.00 1.88 1.81 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 61 L 7.96 4.17 0.00 1.77 1.69 0.92 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 62 T 7.47 3.87 4.35 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 1.26 0.00 0.00 63 V 8.20 3.67 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 0.92 0.00 0.00 0.97 0.00 0.00 64 L 8.09 4.15 0.00 1.88 1.75 0.92 0.61 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 65 N 7.72 4.50 0.00 2.84 2.86 0.00 0.00 6.98 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 E 7.98 4.10 0.00 2.20 2.21 0.00 0.00 0.00 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 2.37 0.00 67 K 8.46 4.10 0.00 1.84 1.81 0.00 1.72 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.29 0.00 0.00 0.00 0.00 1.57 1.58 7.81 68 R 7.65 3.83 0.00 2.16 1.98 0.00 3.25 0.00 0.00 3.27 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 69 R 7.59 4.02 0.00 1.96 2.07 0.00 3.18 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.67 0.00 70 Q 8.56 3.96 0.00 2.24 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.84 0.00 0.00 0.00 0.00 0.00 2.26 2.63 0.00 71 N 7.52 4.46 0.00 2.64 2.69 0.00 0.00 6.62 7.35 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 72 A 7.81 4.30 1.19 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 0.00 0.00