NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4561 8.3044 120.2646 55.7324 33.8655 173.6334 2 Q 4.2775 7.8811 118.7258 55.0713 32.7572 171.3135 3 E 5.2553 8.5815 123.2362 55.1749 33.5846 174.9405 4 G 4.3148 8.8677 108.2024 45.8384 0.0000 171.3105 5 K 5.1209 8.5757 120.2496 54.0603 35.6545 176.1735 6 V 3.7740 8.8218 128.0895 63.5544 31.8782 176.4458 7 K 4.3821 9.1965 130.8764 59.0045 32.7139 176.6524 8 W 5.1451 7.7188 114.1906 55.9670 31.2663 173.0443 9 F 4.7685 8.9359 122.5416 57.1415 42.1336 172.6562 10 N 4.9482 8.6160 126.2766 51.9881 39.6583 174.9789 11 N 4.6719 8.9467 123.8095 54.1024 38.2690 175.7052 12 E 4.1074 8.1668 119.6508 58.5731 30.2392 177.3604 13 K 3.9143 8.2390 117.5930 57.2690 32.3576 177.8384 14 G 3.8429 9.8058 107.1395 45.3281 0.0000 171.8950 15 Y 4.6773 5.9714 115.5655 56.0675 41.4810 173.3629 16 G 2.5080 7.4740 104.4920 45.7719 0.0000 172.2099 17 F 5.0982 7.1773 118.2236 55.6773 43.7461 174.0382 18 I 4.7913 8.6859 123.2175 59.6153 39.2962 174.6060 19 E 4.8893 9.1844 125.9164 55.4070 31.8196 175.3200 20 V 4.6707 8.2040 122.2309 60.7097 34.3049 174.3513 21 E 4.1936 9.0888 129.3883 57.4741 30.0300 176.2685 22 G 3.9780 9.2020 112.9193 46.0685 0.0000 172.8028 23 G 4.2397 7.9125 106.9540 43.6325 0.0000 173.4308 24 S 4.3649 8.3997 115.3883 58.0290 63.4246 174.4695 25 D 4.8019 8.6164 123.5405 54.8413 41.7123 175.8243 26 V 4.5115 8.8377 122.3608 60.7128 33.9980 174.6978 27 F 3.6049 9.0156 130.6026 58.3978 40.5352 173.8969 28 V 4.2566 7.4354 124.9726 59.9732 34.2057 174.0563 29 H 5.1785 8.2917 124.2834 53.9890 32.0820 175.4347 30 F 4.3572 8.9168 118.9861 60.0145 37.7923 177.6472 31 T 3.5863 6.8597 109.7623 63.5030 68.8217 174.7962 32 A 4.2055 8.0066 124.8409 53.2947 19.1325 177.1438 33 I 4.3429 7.4352 117.7859 61.0502 37.6922 176.0543 34 Q 4.2800 8.5790 124.8691 55.3945 29.8836 175.6102 35 G 3.9428 8.6048 105.6841 45.3141 0.0000 173.6377 36 E 4.1916 8.3698 116.8161 56.4378 29.9136 177.3348 37 G 3.7253 7.6363 107.9966 44.4836 0.0000 173.2430 38 F 4.0845 8.2102 117.5906 58.2372 39.5952 177.2009 39 K 4.3837 8.5209 125.1440 55.4156 30.4597 175.6472 40 T 4.4680 7.2376 113.4761 60.1462 71.2522 172.2544 41 L 4.7957 6.9469 123.2903 52.7148 45.8871 175.6783 42 E 4.7838 8.5988 117.3031 53.7736 32.5338 174.8592 43 E 4.1683 8.8390 120.1440 58.4849 29.7899 177.6200 44 G 3.9913 9.1873 114.8607 45.1143 0.0000 173.3791 45 Q 4.1860 7.8929 122.8345 56.0022 30.2632 175.0743 46 E 4.7650 8.8215 124.9545 56.3994 31.2321 176.0157 47 V 5.1816 8.9016 116.0136 59.6782 36.4957 174.5336 48 S 5.4614 8.4491 117.8034 57.2548 65.7043 172.8071 49 F 5.3679 8.2882 114.8696 57.3946 41.6930 171.7785 50 E 4.5829 9.1029 120.7412 54.4739 31.9482 174.4663 51 I 4.9246 8.2481 127.0295 60.5531 38.4506 175.4473 52 V 4.5661 8.8716 119.5712 59.4983 35.9864 174.3296 53 Q 4.5657 8.7216 123.9300 55.0167 29.9724 175.2202 54 G 4.1528 8.6906 116.6268 43.3656 0.0000 173.2706 55 N 4.3417 8.6100 115.5569 54.9833 37.2419 175.8831 56 R 4.3085 7.7689 116.3041 55.7142 31.0101 175.5149 57 G 3.8520 8.0336 105.2890 43.2092 0.0000 171.2757 58 P 4.9990 0.0000 0.0000 63.0695 32.0532 175.9650 59 Q 4.9069 9.1219 119.9570 54.9947 32.4087 173.3276 60 A 4.9452 8.5990 122.3681 51.7772 19.4949 176.8602 61 A 4.6231 9.0381 122.1250 49.9897 23.0488 175.2263 62 N 4.0654 8.4481 114.6459 54.5878 37.3656 174.8718 63 V 4.3758 7.8531 118.8185 62.6484 33.0563 175.1570 64 V 4.6311 8.6490 128.9195 60.8679 33.9055 174.6662 65 K 4.4148 8.6233 127.6321 56.1328 32.6889 176.9632 66 L 4.2956 8.4477 124.6994 54.8946 41.3148 176.8533 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 8.30 4.46 0.00 1.82 2.06 0.00 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.45 0.00 2 Q 7.88 4.28 0.00 1.82 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.69 0.00 0.00 0.00 0.00 0.00 1.16 1.79 0.00 3 E 8.58 5.26 0.00 1.86 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.24 0.00 4 G 8.87 4.31 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 0.00 5 K 8.58 5.12 0.00 1.85 1.64 0.00 1.68 0.00 0.00 1.60 0.00 0.00 2.83 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.46 7.81 6 V 8.82 3.77 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.84 0.00 0.00 7 K 9.20 4.38 0.00 1.89 2.06 0.00 2.09 0.00 0.00 2.03 0.00 0.00 3.08 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.75 1.53 7.81 8 W 7.72 5.15 0.00 3.54 3.16 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 0.00 0.00 0.00 0.00 9 F 8.94 4.77 0.00 2.90 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 10 N 8.62 4.95 0.00 2.93 2.45 0.00 0.00 6.61 6.30 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 11 N 8.95 4.67 0.00 2.89 3.09 0.00 0.00 6.21 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 12 E 8.17 4.11 0.00 1.88 2.05 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 2.19 2.26 0.00 13 K 8.24 3.91 0.00 0.97 1.12 0.00 1.52 0.00 0.00 1.36 0.00 0.00 3.02 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 1.35 7.81 14 G 9.81 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 5.97 4.68 0.00 2.59 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 16 G 7.47 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.18 5.10 0.00 2.77 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 18 I 8.69 4.79 1.44 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.42 0.65 0.00 0.00 19 E 9.18 4.89 0.00 2.07 2.26 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 2.44 2.29 0.00 20 V 8.20 4.67 2.19 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 1.06 0.00 0.00 1.18 0.00 0.00 21 E 9.09 4.19 0.00 2.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 22 G 9.20 3.98 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 0.00 0.00 0.00 23 G 7.91 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 0.00 0.00 0.00 0.00 24 S 8.40 4.36 0.00 3.95 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 D 8.62 4.80 0.00 2.62 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 26 V 8.84 4.51 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 0.96 0.00 0.00 1.18 0.00 0.00 27 F 9.02 3.60 0.00 2.78 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.44 4.26 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.41 0.00 0.00 0.77 0.00 0.00 29 H 8.29 5.18 0.00 3.19 3.10 0.00 5.68 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 F 8.92 4.36 0.00 3.50 3.57 0.00 0.00 0.00 0.00 0.00 0.00 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 T 6.86 3.59 4.03 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 0.47 0.00 0.00 32 A 8.01 4.21 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 33 I 7.44 4.34 1.97 0.00 0.00 0.64 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 0.51 0.85 0.00 0.00 34 Q 8.58 4.28 0.00 2.07 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.59 0.00 0.00 0.00 0.00 0.00 2.50 2.44 0.00 35 G 8.60 3.94 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 0.00 0.00 0.00 36 E 8.37 4.19 0.00 1.91 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 2.24 2.20 0.00 37 G 7.64 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.21 4.08 0.00 3.05 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 39 K 8.52 4.38 0.00 1.96 2.16 0.00 1.88 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.54 1.54 7.81 40 T 7.24 4.47 4.27 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 0.00 0.00 0.00 1.20 0.00 0.00 41 L 6.95 4.80 0.00 0.71 1.17 0.55 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 42 E 8.60 4.78 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 2.35 2.21 0.00 43 E 8.84 4.17 0.00 2.06 2.01 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 2.37 2.62 0.00 44 G 9.19 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 45 Q 7.89 4.19 0.00 2.25 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.96 0.00 0.00 0.00 0.00 0.00 2.30 2.29 0.00 46 E 8.82 4.76 0.00 2.11 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 0.00 2.36 2.35 0.00 47 V 8.90 5.18 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 0.70 0.00 0.00 0.96 0.00 0.00 48 S 8.45 5.46 0.00 3.89 3.98 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 49 F 8.29 5.37 0.00 3.20 3.08 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 50 E 9.10 4.58 0.00 2.01 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.23 0.00 51 I 8.25 4.92 1.92 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.79 1.00 0.00 0.00 52 V 8.87 4.57 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 0.74 0.00 0.00 1.03 0.00 0.00 53 Q 8.72 4.57 0.00 2.05 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.77 0.00 0.00 0.00 0.00 0.00 2.28 2.41 0.00 54 G 8.69 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 0.00 0.00 0.00 55 N 8.61 4.34 0.00 2.81 2.94 0.00 0.00 5.86 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 56 R 7.77 4.31 0.00 1.65 1.82 0.00 2.97 0.00 0.00 3.09 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.49 0.00 57 G 8.03 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 0.00 0.00 0.00 58 P 0.00 5.00 0.00 2.04 2.06 0.00 3.74 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.13 0.00 59 Q 9.12 4.91 0.00 2.23 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.98 0.00 0.00 0.00 0.00 0.00 2.45 2.37 0.00 60 A 8.60 4.95 1.06 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 0.00 0.00 0.00 0.00 0.00 0.00 61 A 9.04 4.62 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 N 8.45 4.07 0.00 2.93 2.85 0.00 0.00 6.61 7.71 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 63 V 7.85 4.38 2.03 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 0.83 0.00 0.00 0.87 0.00 0.00 64 V 8.65 4.63 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 0.92 0.00 0.00 0.94 0.00 0.00 65 K 8.62 4.41 0.00 1.66 1.72 0.00 1.76 0.00 0.00 1.67 0.00 0.00 2.93 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.37 1.42 7.81 66 L 8.45 4.30 0.00 1.55 1.58 0.91 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00