NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3029 8.2644 123.5812 51.0916 21.1080 177.2926 2 K 3.8570 8.1372 118.4909 55.1456 33.4873 173.7639 3 T 3.4291 8.1356 114.9578 62.1604 68.8285 170.0082 4 I 4.6293 8.6444 126.4857 59.7332 42.0190 173.7075 5 K 5.0397 9.0821 128.0863 55.6757 34.2886 175.7480 6 I 5.0710 8.6202 122.5585 60.1159 41.4917 174.6137 7 T 5.0128 8.9738 122.0135 62.0034 72.4304 174.8154 8 Q 3.9878 8.9753 124.1824 56.6039 29.7825 178.5756 9 T 3.5909 8.3242 116.5304 65.2843 67.7884 171.8384 10 R 4.6349 9.1888 117.5454 54.6329 33.3338 174.3725 11 S 4.2518 8.5583 116.7917 58.6053 62.9644 173.4796 12 A 4.6936 8.3348 126.8867 52.1890 18.6124 178.4506 13 I 3.9656 6.9766 121.2185 64.9829 37.6458 177.8235 14 G 3.7480 7.8614 111.0555 46.9010 0.0000 173.2727 15 R 4.2422 7.6274 119.3952 55.5730 30.9735 176.7477 16 L 4.3453 8.2460 118.7867 54.0341 43.6954 176.6485 17 P 4.3936 0.0000 0.0000 65.1193 31.2005 179.4722 18 K 3.9533 7.9124 117.4118 59.7868 32.1118 178.4609 19 H 4.2313 8.2565 116.0106 59.4243 28.6133 177.3159 20 K 3.9668 8.2954 119.6456 59.2872 31.7147 178.9575 21 A 3.9976 8.3327 121.3216 55.8815 18.5064 179.7846 22 T 3.9711 8.3203 114.1812 66.8147 68.7596 176.7110 23 L 3.8906 7.9268 121.0752 57.9925 41.5534 179.3930 24 L 4.0364 8.0850 119.8886 58.3468 41.8476 179.3807 25 G 3.1347 7.8591 103.4801 46.8332 0.0000 174.5583 26 L 4.4529 7.8257 118.7419 53.5554 42.5891 176.1800 27 G 4.0237 8.7347 108.4488 46.2443 0.0000 173.6672 28 L 4.5530 7.6864 117.9048 53.5799 42.9944 177.2189 29 R 4.2236 8.6718 122.6843 57.7939 30.8643 176.3124 30 R 4.7141 7.3070 112.6924 53.7042 34.4078 174.5814 31 I 3.6819 8.2999 112.2949 62.5646 37.6348 175.8741 32 G 3.9100 8.6730 110.3614 47.1258 0.0000 175.0468 33 H 4.2579 8.5351 119.4426 59.0218 30.3467 172.4561 34 T 4.1010 8.1252 119.9920 62.3713 68.3925 171.6702 35 V 4.1895 7.3504 120.6409 61.4066 33.8599 170.2201 36 E 5.0177 8.8703 122.3396 55.1178 31.1116 175.5757 37 R 4.8631 8.7692 122.4638 54.0542 35.0534 174.4610 38 E 4.4519 8.7009 119.7887 55.6152 30.6931 176.5005 39 D 4.6175 8.2877 121.6291 54.5228 41.4341 176.9644 40 T 4.0844 7.6337 112.7226 61.1689 69.8662 171.6426 41 P 4.3163 0.0000 0.0000 65.4479 31.2958 178.6718 42 A 4.0089 7.9806 121.6503 54.9939 18.2656 179.4863 43 I 3.7626 7.6452 111.1633 63.8095 38.0273 178.0376 44 R 3.9404 8.2360 120.5968 59.2424 29.5064 178.6691 45 G 3.6462 7.7432 104.7267 47.6003 0.0000 175.5549 46 M 4.2150 7.5340 120.4267 58.3134 31.9010 178.6662 47 I 3.6053 7.8544 120.0732 64.5779 37.3467 177.9849 48 N 4.2790 8.1925 117.4471 56.6097 38.5285 176.6708 49 A 4.2482 7.7404 121.0255 54.0080 18.6327 178.2523 50 V 3.8766 7.2701 110.0948 60.6653 32.8229 177.6469 51 S 4.1202 7.8113 118.5908 61.5881 62.5074 176.6496 52 F 4.3897 7.7132 114.1082 58.6737 37.8012 175.2156 53 M 4.9037 7.4708 118.0438 54.7476 31.9549 175.6419 54 V 4.7495 7.5660 110.2506 59.9201 35.9041 174.7312 55 K 4.7413 9.0365 124.4861 54.5408 34.8624 175.0860 56 V 4.9361 8.3847 125.6294 59.9204 34.0414 174.5295 57 E 4.7653 9.0862 122.4979 54.5444 32.9784 176.1902 58 E 4.2401 8.6565 121.9306 56.5751 30.3337 175.7648 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 A 8.26 4.30 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.14 3.86 0.00 1.78 1.83 0.00 1.81 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.54 7.81 3 T 8.14 3.43 4.23 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 0.00 0.00 0.00 1.20 0.00 0.00 4 I 8.64 4.63 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 1.21 1.34 1.00 0.00 0.00 5 K 9.08 5.04 0.00 1.75 1.67 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.39 1.44 7.81 6 I 8.62 5.07 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.82 0.88 0.00 0.00 7 T 8.97 5.01 4.23 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 0.00 0.00 0.00 1.23 0.00 0.00 8 Q 8.98 3.99 0.00 2.09 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.07 0.00 0.00 0.00 0.00 0.00 2.38 2.36 0.00 9 T 8.32 3.59 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 1.23 0.00 0.00 10 R 9.19 4.63 0.00 1.78 1.82 0.00 3.45 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 11 S 8.56 4.25 0.00 3.89 3.77 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.33 4.69 1.28 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 0.00 0.00 0.00 0.00 0.00 0.00 13 I 6.98 3.97 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.60 0.92 0.00 0.00 14 G 7.86 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 15 R 7.63 4.24 0.00 1.91 2.06 0.00 3.30 0.00 0.00 3.41 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.89 0.00 16 L 8.25 4.35 0.00 1.52 1.52 0.85 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 17 P 0.00 4.39 0.00 2.16 2.10 0.00 3.57 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.17 0.00 18 K 7.91 3.95 0.00 1.74 1.84 0.00 1.69 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.51 7.81 19 H 8.26 4.23 0.00 3.47 3.49 0.00 5.62 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 20 K 8.30 3.97 0.00 2.00 1.85 0.00 1.72 0.00 0.00 1.67 0.00 0.00 3.04 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.49 1.50 7.81 21 A 8.33 4.00 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 22 T 8.32 3.97 4.53 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 1.19 0.00 0.00 23 L 7.93 3.89 0.00 1.96 1.75 0.86 0.44 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 24 L 8.09 4.04 0.00 1.72 1.91 0.92 1.02 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 25 G 7.86 3.13 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 0.00 0.00 0.00 26 L 7.83 4.45 0.00 1.78 1.70 0.88 0.91 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 27 G 8.73 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 28 L 7.69 4.55 0.00 1.69 1.63 0.89 0.73 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 29 R 8.67 4.22 0.00 1.36 1.83 0.00 3.26 0.00 0.00 3.19 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.47 0.00 30 R 7.31 4.71 0.00 1.68 1.78 0.00 3.23 0.00 0.00 3.19 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.62 0.00 31 I 8.30 3.68 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.53 0.96 0.00 0.00 32 G 8.67 3.91 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 0.00 0.00 0.00 33 H 8.54 4.26 0.00 3.25 3.33 0.00 6.05 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 T 8.13 4.10 4.19 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 1.18 0.00 0.00 35 V 7.35 4.19 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.89 0.00 0.00 36 E 8.87 5.02 0.00 1.84 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 0.00 2.21 2.29 0.00 37 R 8.77 4.86 0.00 1.74 1.73 0.00 3.15 0.00 0.00 3.20 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 38 E 8.70 4.45 0.00 1.94 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 2.27 2.36 0.00 39 D 8.29 4.62 0.00 2.65 2.67 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 40 T 7.63 4.08 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 1.30 0.00 0.00 41 P 0.00 4.32 0.00 2.37 2.29 0.00 3.48 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 2.07 2.14 0.00 42 A 7.98 4.01 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.65 3.76 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.56 0.95 0.00 0.00 44 R 8.24 3.94 0.00 2.10 2.12 0.00 3.12 0.00 0.00 3.16 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.69 0.00 45 G 7.74 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 7.53 4.21 0.00 2.19 2.22 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.57 0.00 47 I 7.85 3.61 2.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.66 0.87 0.00 0.00 48 N 8.19 4.28 0.00 2.84 2.96 0.00 0.00 7.16 8.74 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 49 A 7.74 4.25 1.41 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 0.00 0.00 50 V 7.27 3.88 1.60 0.00 0.00 0.00 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 0.88 0.00 0.00 51 S 7.81 4.12 0.00 4.00 4.38 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 52 F 7.71 4.39 0.00 3.14 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 53 M 7.47 4.90 0.00 2.10 2.12 0.00 0.00 0.00 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 1.56 0.00 54 V 7.57 4.75 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 0.56 0.00 0.00 0.89 0.00 0.00 55 K 9.04 4.74 0.00 1.77 1.60 0.00 1.57 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.31 1.33 7.81 56 V 8.38 4.94 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 0.79 0.00 0.00 0.99 0.00 0.00 57 E 9.09 4.77 0.00 1.88 1.83 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 2.20 2.23 0.00 58 E 8.66 4.24 0.00 1.90 1.78 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 2.18 2.25 0.00