NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4480 8.3044 118.1910 55.1209 32.8751 174.9150 2 D 4.5966 8.1184 118.9818 51.2648 45.2607 174.8790 3 S 4.0991 9.4451 124.4555 62.0214 63.4316 176.2381 4 N 4.4038 8.1184 118.5433 56.5519 38.2607 177.6955 5 T 3.9295 7.9194 116.8348 66.8300 68.6323 176.5686 6 M 4.1657 8.0410 120.4764 58.3817 32.0447 178.8856 7 S 4.4786 8.3581 117.0523 61.3127 63.0818 177.0217 8 S 4.1946 8.4936 118.1041 61.5772 62.5455 176.6150 9 F 4.3106 8.3079 123.2244 61.2417 38.9841 177.2638 10 Q 3.8971 8.2210 117.7058 59.0130 28.5073 178.9578 11 V 3.7038 7.8613 119.1299 66.2117 31.5828 177.7191 12 D 4.3968 8.2236 118.5923 57.4756 40.6579 178.7055 13 C 4.0161 7.8641 117.2486 62.7834 28.1544 175.9644 14 F 4.3993 8.1652 122.0536 61.3874 39.0026 177.2099 15 L 3.8133 8.3748 119.0046 57.3425 41.2386 179.3560 16 W 3.9295 8.2551 128.6171 60.4896 30.6241 177.5025 17 H 4.1568 8.2836 118.1676 59.2319 29.2609 177.2190 18 I 3.4310 7.3524 121.4258 64.4687 36.8572 178.5163 19 R 4.0081 7.6045 118.7283 59.1650 29.7369 179.0798 20 K 3.5135 7.5268 119.4912 59.4473 31.8707 179.1704 21 R 3.8256 7.6360 117.2376 58.8664 30.1738 178.5851 22 F 4.1269 8.3857 120.3917 61.3130 39.4590 176.9305 23 A 3.9678 8.4675 120.6002 55.4744 17.9430 179.3171 24 D 4.3586 8.1485 116.4837 57.2369 40.9022 177.8432 25 N 4.6304 7.6582 114.5393 52.6414 38.5866 175.3063 26 G 3.7624 7.6620 108.2597 46.6555 0.0000 174.9036 27 L 3.9944 7.3858 119.1705 54.3398 42.3980 177.3288 28 G 3.8224 7.4207 107.8341 44.6895 0.0000 173.8296 29 D 4.7335 8.3750 122.2590 51.5569 42.6091 177.3709 30 A 4.0366 8.4731 120.4600 55.2472 18.1924 178.0134 31 P 4.2703 0.0000 0.0000 65.5340 31.3906 178.6838 32 F 4.0343 8.6467 119.6731 61.3535 39.4382 177.2926 33 L 4.1315 8.3094 118.6177 57.6177 41.3528 179.1142 34 D 4.3142 8.1724 118.2490 57.4460 41.2637 178.4813 35 R 3.9135 8.1072 118.6845 58.9694 30.0289 178.9225 36 L 3.9090 7.6853 120.2084 57.9822 42.2762 178.8060 37 R 3.9775 7.9034 118.4919 59.5364 30.0647 178.3294 38 R 3.9823 8.0740 118.1945 59.7700 30.1794 178.2002 39 D 4.4410 8.2754 118.4988 57.2694 40.7196 178.7536 40 Q 3.1270 8.0719 119.7111 58.8607 29.1566 178.4655 41 K 3.9082 7.5639 118.3661 59.5034 32.2259 179.3002 42 S 4.1103 8.0769 113.4167 61.3986 62.2703 176.2601 43 L 4.1953 8.0307 121.7354 57.4576 41.3981 179.4400 44 K 4.0615 8.0733 118.8088 59.3213 31.9835 179.6032 45 G 3.5282 7.9804 105.6457 47.9085 0.0000 175.9301 46 R 3.9362 7.9223 120.7822 58.7483 29.9754 179.4430 47 G 3.2135 8.0044 105.3607 47.7949 0.0000 175.5764 48 N 4.3041 8.0031 118.9977 56.2375 38.2837 177.7685 49 T 3.8681 7.7365 116.4325 66.1414 68.6531 176.1044 50 L 4.2591 7.7064 118.5234 53.9900 42.0975 176.9559 51 G 3.8288 7.4427 106.0869 46.6074 0.0000 173.3830 52 L 4.7141 7.7159 119.2210 52.0305 44.3790 176.4156 53 D 4.5351 8.5722 123.0595 54.1558 42.2619 176.9324 54 I 3.7737 8.6090 127.5008 64.3791 37.1163 177.8083 55 E 3.9082 8.2827 119.7426 60.0838 29.3388 179.1195 56 T 3.9163 8.4450 115.1845 66.4587 68.4009 176.7961 57 A 4.0511 7.9640 122.6110 55.3042 18.2788 179.8517 58 T 3.8696 8.3920 114.7435 66.8260 68.5357 176.9060 59 L 3.9111 7.6857 120.9788 57.7040 41.5908 179.8269 60 V 3.6424 7.8840 118.4062 65.9071 31.4188 178.3201 61 G 3.6445 8.3409 105.8241 47.4859 0.0000 175.4234 62 K 2.0000 7.9383 122.1688 59.0029 32.2176 178.9836 63 Q 3.9605 7.6442 117.6468 58.7743 28.5499 178.9136 64 I 3.7528 7.7918 121.0794 64.3515 37.1793 178.6458 65 V 3.7366 8.0587 119.3096 66.0580 31.3550 177.7715 66 E 3.9871 8.5139 118.7769 59.3139 29.3183 179.2398 67 W 4.0032 8.2079 127.8173 60.3432 30.5197 178.1721 68 I 3.7233 7.8581 118.8742 64.5359 36.7296 178.1256 69 L 4.1019 8.3172 118.6721 57.5943 41.4617 179.2222 70 K 3.9489 7.9540 119.0384 58.9710 32.2063 176.7281 71 E 3.9662 7.3341 122.9295 56.1942 29.6061 175.5229 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 4.45 0.00 2.12 2.12 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 2.45 2.52 0.00 2 D 8.12 4.60 0.00 2.81 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 3 S 9.45 4.10 0.00 3.89 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 4 N 8.12 4.40 0.00 3.04 2.88 0.00 0.00 7.11 7.78 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 5 T 7.92 3.93 4.41 0.00 0.00 0.00 0.00 0.00 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 6 M 8.04 4.17 0.00 2.14 2.25 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.57 0.00 7 S 8.36 4.48 0.00 4.01 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 8 S 8.49 4.19 0.00 4.05 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 9 F 8.31 4.31 0.00 3.19 3.26 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 10 Q 8.22 3.90 0.00 2.34 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.58 0.00 0.00 0.00 0.00 0.00 2.52 2.53 0.00 11 V 7.86 3.70 2.13 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 1.20 0.00 0.00 1.03 0.00 0.00 12 D 8.22 4.40 0.00 2.78 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 C 7.86 4.02 0.00 2.94 2.85 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 14 F 8.17 4.40 0.00 3.35 3.12 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 0.00 0.00 0.00 0.00 15 L 8.37 3.81 0.00 1.73 1.67 0.95 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 16 W 8.26 3.93 0.00 3.50 3.35 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 17 H 8.28 4.16 0.00 3.50 3.49 0.00 5.84 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 I 7.35 3.43 1.74 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 -0.34 0.78 0.00 0.00 19 R 7.60 4.01 0.00 1.57 1.68 0.00 2.61 0.00 0.00 2.88 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.70 0.00 20 K 7.53 3.51 0.00 0.79 1.47 0.00 1.93 0.00 0.00 1.80 0.00 0.00 3.05 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.30 1.24 7.81 21 R 7.64 3.83 0.00 1.85 1.91 0.00 3.38 0.00 0.00 3.12 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.49 0.00 22 F 8.39 4.13 0.00 3.10 3.20 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 0.00 0.00 0.00 0.00 23 A 8.47 3.97 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.15 4.36 0.00 2.80 2.71 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 0.00 0.00 0.00 25 N 7.66 4.63 0.00 2.64 2.65 0.00 0.00 7.03 7.74 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 26 G 7.66 3.76 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 0.00 0.00 0.00 0.00 0.00 0.00 27 L 7.39 3.99 0.00 0.27 0.70 0.51 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 28 G 7.42 3.82 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 0.00 0.00 0.00 29 D 8.37 4.73 0.00 2.92 2.85 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 30 A 8.47 4.04 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 31 P 0.00 4.27 0.00 2.23 2.15 0.00 4.01 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.17 0.00 32 F 8.65 4.03 0.00 3.33 3.32 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 33 L 8.31 4.13 0.00 1.96 1.77 0.97 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 34 D 8.17 4.31 0.00 2.83 2.79 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 35 R 8.11 3.91 0.00 1.79 1.82 0.00 3.12 0.00 0.00 3.07 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.78 0.00 36 L 7.69 3.91 0.00 1.57 1.77 -0.06 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 37 R 7.90 3.98 0.00 2.01 2.13 0.00 3.18 0.00 0.00 3.13 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.69 0.00 38 R 8.07 3.98 0.00 1.94 2.06 0.00 3.16 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 1.64 1.68 0.00 39 D 8.28 4.44 0.00 3.06 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 Q 8.07 3.13 0.00 2.28 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.81 0.00 0.00 0.00 0.00 0.00 2.03 1.44 0.00 41 K 7.56 3.91 0.00 2.05 1.82 0.00 1.73 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.59 7.81 42 S 8.08 4.11 0.00 3.90 4.01 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 0.00 0.00 0.00 43 L 8.03 4.20 0.00 1.66 1.62 0.73 0.61 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 44 K 8.07 4.06 0.00 1.95 1.82 0.00 1.61 0.00 0.00 1.60 0.00 0.00 2.82 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.54 7.81 45 G 7.98 3.53 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 0.00 46 R 7.92 3.94 0.00 2.16 1.85 0.00 3.19 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.80 0.00 47 G 8.00 3.21 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 0.00 0.00 0.00 0.00 0.00 0.00 48 N 8.00 4.30 0.00 2.86 2.83 0.00 0.00 7.07 7.01 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 49 T 7.74 3.87 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 1.14 0.00 0.00 50 L 7.71 4.26 0.00 1.24 1.51 0.55 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 51 G 7.44 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 52 L 7.72 4.71 0.00 1.44 1.70 0.92 1.26 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 53 D 8.57 4.54 0.00 2.78 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 I 8.61 3.77 1.88 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 1.58 0.64 0.83 0.00 0.00 55 E 8.28 3.91 0.00 2.04 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 2.40 2.45 0.00 56 T 8.44 3.92 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 1.22 0.00 0.00 57 A 7.96 4.05 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 58 T 8.39 3.87 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 59 L 7.69 3.91 0.00 1.76 1.68 0.92 0.87 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 60 V 7.88 3.64 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 1.02 0.00 0.00 0.98 0.00 0.00 61 G 8.34 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.94 2.00 0.00 1.06 1.63 0.00 1.50 0.00 0.00 1.50 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.18 0.67 7.81 63 Q 7.64 3.96 0.00 2.22 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.59 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 64 I 7.79 3.75 2.01 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 1.34 1.01 0.95 0.00 0.00 65 V 8.06 3.74 2.28 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 1.27 0.00 0.00 1.25 0.00 0.00 66 E 8.51 3.99 0.00 2.22 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 2.34 2.38 0.00 67 W 8.21 4.00 0.00 3.53 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 I 7.86 3.72 2.15 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.19 0.98 0.00 0.00 69 L 8.32 4.10 0.00 1.57 1.73 1.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 70 K 7.95 3.95 0.00 1.76 1.71 0.00 1.74 0.00 0.00 1.51 0.00 0.00 2.90 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.28 1.35 7.81 71 E 7.33 3.97 0.00 1.16 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 1.72 2.05 0.00