NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4492 8.3049 118.7889 53.8915 33.0107 175.7050 2 S 3.8484 7.6848 115.5937 58.4569 63.8337 173.0220 3 I 4.5863 8.0828 125.3488 59.5162 40.6865 175.0903 4 T 4.5436 10.3690 117.7997 60.2476 71.8359 176.0610 5 S 4.1420 8.5521 118.3281 62.3491 62.9362 176.8739 6 D 4.4373 8.1784 120.6000 57.3914 40.4875 178.6061 7 E 4.0340 7.9341 119.3793 59.4736 29.5013 179.6357 8 V 3.7131 7.7229 118.6561 65.1134 31.2845 177.9151 9 N 4.7417 8.5558 117.1666 56.2332 38.3158 177.1489 10 F 4.0772 8.5510 121.9738 61.2303 39.5347 177.1969 11 L 4.1583 8.4258 118.7895 57.7987 41.3478 179.7458 12 V 3.5660 8.3488 118.4932 66.1352 31.5397 177.1244 13 Y 4.4043 8.6236 119.7143 61.2952 38.6371 178.6927 14 R 3.8982 8.3024 118.7116 59.0795 30.0784 178.5572 15 Y 4.1016 7.9763 119.6986 60.5256 38.7359 177.7699 16 L 4.0367 8.2071 120.1976 57.9379 41.7705 179.2461 17 Q 3.8017 7.6911 117.7452 59.3084 28.6667 179.1402 18 E 3.8955 8.0474 119.1350 59.1977 29.3006 178.9242 19 S 4.1485 7.5089 112.7819 58.4645 63.0070 175.0899 20 G 3.6016 7.4299 109.9333 46.1462 0.0000 175.6328 21 F 4.6982 7.5643 120.0276 55.7012 35.4839 175.8757 22 S 4.0556 7.8168 116.8827 62.0990 62.6779 175.0531 23 H 4.4419 8.0558 117.9979 58.7382 28.6573 177.8005 24 S 4.1854 8.2069 116.2924 61.5439 62.7185 176.0211 25 A 4.1741 8.3667 123.8661 55.4658 17.5568 179.3646 26 F 4.1672 8.2540 118.2039 62.0066 39.5432 177.4799 27 T 3.9299 8.2870 115.3030 66.5953 68.2165 176.5635 28 F 4.3896 9.1481 123.1631 61.1290 39.3717 177.2532 29 G 3.3233 8.5300 105.8263 47.7792 0.0000 175.6870 30 I 3.5176 7.0385 120.4962 64.0853 37.0710 178.2192 31 E 3.7542 7.7051 118.0339 59.3658 29.3218 178.4785 32 S 4.0464 7.7180 110.3912 58.0183 63.6653 173.3682 33 H 3.9348 7.6030 118.1258 56.6127 26.8941 176.5715 34 I 3.6765 7.5946 120.9431 63.8618 38.1437 177.7434 35 S 4.0801 7.8830 113.9153 60.8088 62.7246 174.5592 36 Q 4.3043 8.1329 120.3369 55.7327 29.0433 175.5424 37 S 4.3919 7.7093 111.9426 58.9926 63.8013 173.1900 38 N 4.7725 8.5852 120.1761 53.6882 38.8359 174.2729 39 I 4.0845 6.8976 115.9566 58.9578 38.6965 175.3530 40 N 4.5497 8.2986 123.2686 52.2859 38.4174 175.7962 41 G 3.9822 8.7365 116.7335 48.6994 0.0000 174.7157 42 T 3.9756 7.8345 109.8198 64.0318 68.8813 175.1728 43 L 4.3344 7.5317 120.0367 54.5189 42.0246 176.2243 44 V 4.1377 7.3607 120.3526 60.5106 32.0929 174.0427 45 P 4.5431 0.0000 0.0000 61.6197 32.2752 174.3444 46 P 4.7735 0.0000 0.0000 62.9306 31.9209 176.0055 47 A 4.0648 9.5717 120.6431 52.9435 17.1252 179.7375 48 A 4.0170 7.7352 121.6186 56.9022 18.4211 180.2041 49 L 3.8955 7.9975 118.2761 58.4732 42.1922 179.0865 50 I 3.6916 7.7491 119.1927 64.3326 37.0601 178.5411 51 S 4.1129 8.3937 116.3758 61.7366 62.6994 176.7627 52 I 3.7086 7.9107 122.5842 64.2625 36.8218 178.2599 53 L 3.8737 7.8929 121.2009 58.1047 41.8869 178.7791 54 Q 3.9526 8.1169 119.4638 59.2660 29.0167 178.5092 55 K 4.1510 8.3418 119.6791 59.2513 31.9853 179.4212 56 G 3.7393 8.7218 106.5630 47.8851 0.0000 175.6970 57 L 4.0204 7.9624 121.3108 57.6977 41.7201 179.6141 58 Q 4.7046 8.0414 119.3105 58.6128 28.7546 178.1473 59 Y 3.9235 8.5276 120.9669 60.9038 38.9484 178.5978 60 V 3.9121 7.8627 118.6870 66.0472 31.6599 177.8078 61 E 3.9845 8.4282 118.2724 59.3149 29.1236 179.2004 62 A 4.0392 8.0089 122.1951 54.5929 18.1125 179.5872 63 E 3.8619 8.0024 116.7418 59.4368 29.6111 179.5837 64 I 3.8698 7.7306 119.8534 64.0620 36.8895 178.5315 65 S 4.1603 8.1701 115.5455 61.3732 62.6212 176.6397 66 I 3.7540 7.4149 115.9488 63.0412 37.4645 176.9737 67 N 4.7172 7.2218 112.4651 52.8759 38.9516 174.6091 68 E 4.0956 7.7729 126.6254 56.3898 29.7151 176.1224 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 2.05 1.98 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.14 0.00 2 S 7.68 3.85 0.00 3.92 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 3 I 8.08 4.59 1.86 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 1.49 1.11 0.90 0.00 0.00 4 T 10.37 4.54 4.25 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 1.24 0.00 0.00 5 S 8.55 4.14 0.00 3.90 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 D 8.18 4.44 0.00 2.70 2.77 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 7 E 7.93 4.03 0.00 2.23 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 0.00 2.32 2.32 0.00 8 V 7.72 3.71 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 1.14 0.00 0.00 0.99 0.00 0.00 9 N 8.56 4.74 0.00 3.10 2.99 0.00 0.00 6.66 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 10 F 8.55 4.08 0.00 3.44 3.24 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 11 L 8.43 4.16 0.00 2.08 1.79 1.07 0.75 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 12 V 8.35 3.57 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 0.54 0.00 0.00 0.90 0.00 0.00 13 Y 8.62 4.40 0.00 3.39 3.10 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 14 R 8.30 3.90 0.00 2.05 2.01 0.00 3.44 0.00 0.00 3.14 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.93 0.00 15 Y 7.98 4.10 0.00 3.17 3.17 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 0.00 0.00 0.00 16 L 8.21 4.04 0.00 1.79 1.76 0.87 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 17 Q 7.69 3.80 0.00 1.98 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.79 0.00 0.00 0.00 0.00 0.00 2.09 1.78 0.00 18 E 8.05 3.90 0.00 1.97 1.91 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 2.28 2.34 0.00 19 S 7.51 4.15 0.00 3.15 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 20 G 7.43 3.60 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 F 7.56 4.70 0.00 3.13 2.90 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 0.00 0.00 0.00 22 S 7.82 4.06 0.00 3.78 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 23 H 8.06 4.44 0.00 3.29 3.37 0.00 5.68 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 24 S 8.21 4.19 0.00 4.07 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 25 A 8.37 4.17 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 26 F 8.25 4.17 0.00 3.26 3.34 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 27 T 8.29 3.93 4.49 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 1.29 0.00 0.00 28 F 9.15 4.39 0.00 3.15 3.27 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 0.00 29 G 8.53 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 0.00 0.00 0.00 30 I 7.04 3.52 1.75 0.00 0.00 0.55 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 0.51 0.77 0.00 0.00 31 E 7.71 3.75 0.00 1.99 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 0.00 2.29 2.22 0.00 32 S 7.72 4.05 0.00 3.42 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 7.60 3.93 0.00 3.27 3.27 0.00 5.63 0.00 0.00 0.00 0.00 8.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 I 7.59 3.68 1.27 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 1.00 0.29 0.00 0.00 35 S 7.88 4.08 0.00 3.97 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 36 Q 8.13 4.30 0.00 1.98 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.93 0.00 0.00 0.00 0.00 0.00 2.27 2.29 0.00 37 S 7.71 4.39 0.00 4.10 3.96 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 38 N 8.59 4.77 0.00 2.66 2.80 0.00 0.00 6.98 7.94 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 39 I 6.90 4.08 1.28 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 0.99 0.60 0.05 0.00 0.00 40 N 8.30 4.55 0.00 2.66 2.65 0.00 0.00 7.06 8.09 0.00 0.00 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 G 8.74 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 42 T 7.83 3.98 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 1.25 0.00 0.00 43 L 7.53 4.33 0.00 1.57 1.72 0.90 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 44 V 7.36 4.14 2.41 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 0.96 0.00 0.00 0.86 0.00 0.00 45 P 0.00 4.54 0.00 2.25 2.06 0.00 3.87 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.01 0.00 46 P 0.00 4.77 0.00 2.22 2.03 0.00 4.05 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 2.13 2.07 0.00 47 A 9.57 4.06 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 48 A 7.74 4.02 1.47 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 0.00 0.00 49 L 8.00 3.90 0.00 1.94 1.68 0.89 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 50 I 7.75 3.69 2.05 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.69 0.94 0.00 0.00 51 S 8.39 4.11 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 52 I 7.91 3.71 1.87 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 1.41 0.96 0.90 0.00 0.00 53 L 7.89 3.87 0.00 2.01 1.63 0.87 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 54 Q 8.12 3.95 0.00 2.35 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.46 0.00 55 K 8.34 4.15 0.00 2.02 1.89 0.00 1.75 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.63 7.81 56 G 8.72 3.74 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 L 7.96 4.02 0.00 1.96 1.74 0.97 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 58 Q 8.04 4.70 0.00 2.29 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.77 0.00 0.00 0.00 0.00 0.00 2.39 2.25 0.00 59 Y 8.53 3.92 0.00 3.20 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 V 7.86 3.91 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 1.01 0.00 0.00 1.05 0.00 0.00 61 E 8.43 3.98 0.00 2.25 1.98 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 2.33 2.34 0.00 62 A 8.01 4.04 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 63 E 8.00 3.86 0.00 2.23 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 2.25 2.38 0.00 64 I 7.73 3.87 1.86 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 1.58 1.30 0.91 0.00 0.00 65 S 8.17 4.16 0.00 4.04 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 0.00 66 I 7.41 3.75 1.84 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.66 0.90 0.00 0.00 67 N 7.22 4.72 0.00 2.77 2.88 0.00 0.00 6.96 7.54 0.00 0.00 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 E 7.77 4.10 0.00 2.17 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 2.32 2.25 0.00