NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 R 4.2273 8.2549 117.2778 55.3917 31.4564 174.3802 6 P 3.8792 0.0000 0.0000 60.7524 29.7887 171.9848 7 D 4.2153 8.3732 120.6119 54.1662 42.1854 175.3638 8 Y 4.6307 8.6621 128.6237 56.9141 39.2014 174.5969 9 T 4.5462 8.2020 115.7177 60.0095 69.8690 173.3596 10 S 4.7162 6.4701 116.0299 58.8695 64.1756 176.9919 11 F 4.2663 8.9926 118.6706 58.2992 39.1442 175.2468 12 N 5.1898 7.8924 118.1680 51.2277 42.4200 173.6436 13 T 4.5851 8.2504 113.0478 59.9801 72.4317 175.7001 14 V 3.7332 8.0280 121.5574 66.5194 31.4432 178.0888 15 D 4.4074 8.1798 118.1124 57.5592 40.7495 178.4932 16 E 4.1117 8.3500 119.0123 58.7013 29.2972 179.1693 17 W 4.2768 8.3189 128.4168 60.5678 30.8638 177.8411 18 L 3.1526 8.1381 118.9892 57.7520 40.8995 179.4621 19 E 3.8804 8.1295 118.0544 59.3864 29.1666 179.3550 20 A 4.0835 7.9960 119.9094 53.9028 18.3552 178.6530 21 I 4.1896 6.8006 110.0520 59.7192 38.2605 175.3015 22 K 3.7687 7.7041 118.7103 58.6091 31.1862 175.1806 23 M 4.6510 7.9514 114.4317 54.4441 32.8039 178.7204 24 G 3.8023 8.1965 109.4351 46.7510 0.0000 175.2166 25 Q 4.0836 7.7419 117.9422 57.9902 28.7860 176.6787 26 Y 4.7441 7.3850 118.1418 57.7171 38.3330 176.9966 27 K 3.8844 7.8674 121.8908 59.9985 32.2882 178.6482 28 E 4.1090 8.2287 118.3839 58.9814 29.6108 178.7495 29 S 4.2669 8.2551 115.1610 61.5378 63.0261 176.3150 30 F 4.1590 9.1354 120.6752 60.5435 38.6476 177.3657 31 A 4.1095 8.3789 120.3123 55.5739 17.9902 179.3239 32 N 4.2917 8.1906 113.1190 56.3993 38.7374 176.6997 33 A 4.3253 7.7703 118.4443 51.9127 18.6034 177.9066 34 G 3.6797 7.9762 105.8846 46.3176 0.0000 175.5929 35 F 4.4082 7.8790 120.6132 55.9437 37.1310 175.6884 36 T 4.5677 7.7963 109.0658 61.0114 70.2469 175.6749 37 S 4.4680 7.4248 116.7420 55.9724 67.4966 174.6848 38 F 4.2320 8.0014 121.7381 60.6057 38.5093 177.6868 39 D 4.4056 8.0740 117.8140 56.2932 39.5461 178.3339 40 V 3.8218 7.6223 119.9284 65.6918 31.5902 178.2226 41 V 3.7219 7.8734 118.2089 65.7768 31.1397 177.8927 42 S 4.2581 8.3887 113.0559 60.2375 63.0129 174.7189 43 Q 4.4476 7.4379 119.5365 55.8618 29.2302 175.8653 44 M 4.3050 7.7842 118.6586 55.6007 32.7438 175.2953 45 M 4.7965 8.8512 121.3857 52.9748 35.7986 176.2170 46 M 3.9796 8.6573 117.8338 59.2785 31.9055 177.8703 47 E 3.9792 8.0901 117.0718 59.4326 29.7938 178.7862 48 D 4.2775 7.9722 119.6107 57.1308 40.7998 178.7333 49 I 3.4903 7.4570 119.9161 64.1326 37.1603 178.3884 50 L 3.9310 7.9860 119.9100 57.7476 41.2872 179.3559 51 R 3.8938 7.9128 117.6658 59.5522 30.0555 178.4888 52 V 3.7691 7.5338 117.0751 64.4771 31.4842 176.5752 53 G 4.0351 7.6232 105.1048 45.1329 0.0000 174.0623 54 V 3.6874 7.7545 120.3882 62.4543 30.3233 175.4310 55 T 4.3657 8.2690 117.3999 62.1286 70.2105 175.9027 56 L 4.1563 7.7485 123.3300 54.0001 43.1446 177.1223 57 A 4.2456 8.8182 125.8170 55.6038 18.2881 180.1624 58 G 3.5616 8.0105 103.4486 48.2297 0.0000 175.5995 59 H 4.3306 8.1903 118.1125 58.6649 28.8542 177.6461 60 Q 3.9651 8.2979 120.0474 58.8551 28.5167 178.9006 61 K 3.9406 8.3194 120.7846 59.2478 32.2664 178.6565 62 K 3.8957 8.1997 119.9133 59.7534 32.0829 178.8522 63 I 3.8134 8.1346 120.3926 64.4129 36.9375 178.5374 64 L 4.0670 8.4786 120.3473 57.8596 41.3746 179.3100 65 N 4.3744 8.6973 117.0022 56.1227 38.3350 177.5217 66 S 4.1834 8.3132 114.7733 61.5259 62.5746 176.2245 67 I 3.7360 8.2305 122.7631 64.3179 36.7491 178.2344 68 Q 3.9444 8.3221 120.6621 59.1926 28.9398 178.4369 69 V 3.5641 8.0733 119.5323 66.1355 31.5604 177.4418 70 M 3.9138 8.3530 118.2686 58.8617 32.0014 178.4687 71 R 3.8889 8.1518 117.7900 59.1969 29.7082 178.8516 72 A 4.0445 8.1666 120.6701 55.1623 18.1869 179.5552 73 Q 3.8978 8.2190 118.0733 59.6256 29.2535 178.2596 74 M 4.0662 8.5100 120.0660 58.3984 31.7450 178.4093 75 N 4.4536 8.4651 115.9488 55.4256 38.8815 176.8765 76 Q 4.1362 7.6689 120.4726 58.9585 29.1921 177.7651 77 I 3.6866 7.2866 119.2245 64.4413 37.1104 178.1437 78 Q 4.1412 7.8576 118.3062 58.2640 28.5868 176.8281 79 S 4.4323 7.9439 119.4413 58.6455 63.4613 173.8100 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 5 R 8.25 4.23 0.00 1.94 2.13 0.00 3.19 0.00 0.00 3.22 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.60 0.00 6 P 0.00 3.88 0.00 2.16 2.09 0.00 3.70 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.13 0.00 7 D 8.37 4.22 0.00 2.65 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.66 4.63 0.00 2.84 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 9 T 8.20 4.55 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 1.17 0.00 0.00 10 S 6.47 4.72 0.00 4.32 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 11 F 8.99 4.27 0.00 3.04 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 12 N 7.89 5.19 0.00 2.82 3.00 0.00 0.00 6.95 7.70 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 13 T 8.25 4.59 4.40 0.00 0.00 0.00 0.00 0.00 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 14 V 8.03 3.73 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 1.45 0.00 0.00 0.54 0.00 0.00 15 D 8.18 4.41 0.00 2.86 2.74 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 16 E 8.35 4.11 0.00 2.30 2.09 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 2.39 2.39 0.00 17 W 8.32 4.28 0.00 3.69 3.66 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 0.00 0.00 0.00 0.00 18 L 8.14 3.15 0.00 1.69 1.55 0.45 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.13 3.88 0.00 2.10 1.96 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 2.30 2.46 0.00 20 A 8.00 4.08 1.38 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 0.00 0.00 21 I 6.80 4.19 1.70 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.36 0.80 0.00 0.00 22 K 7.70 3.77 0.00 1.83 1.80 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.29 1.31 7.81 23 M 7.95 4.65 0.00 1.97 1.64 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.62 0.00 24 G 8.20 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.74 4.08 0.00 1.89 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.92 0.00 0.00 0.00 0.00 0.00 1.61 1.16 0.00 26 Y 7.39 4.74 0.00 2.97 3.19 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 27 K 7.87 3.88 0.00 1.83 1.92 0.00 1.67 0.00 0.00 1.57 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.58 7.81 28 E 8.23 4.11 0.00 2.08 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 2.62 2.45 0.00 29 S 8.26 4.27 0.00 4.35 4.28 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 30 F 9.14 4.16 0.00 3.31 3.33 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.38 4.11 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 32 N 8.19 4.29 0.00 2.98 2.94 0.00 0.00 7.11 6.97 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 33 A 7.77 4.33 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 G 7.98 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.88 4.41 0.00 3.24 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 36 T 7.80 4.57 4.22 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 1.20 0.00 0.00 37 S 7.42 4.47 0.00 3.90 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 F 8.00 4.23 0.00 3.08 3.01 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 39 D 8.07 4.41 0.00 2.84 2.83 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 40 V 7.62 3.82 2.27 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 1.11 0.00 0.00 0.92 0.00 0.00 41 V 7.87 3.72 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 0.58 0.00 0.00 1.09 0.00 0.00 42 S 8.39 4.26 0.00 4.01 4.06 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 43 Q 7.44 4.45 0.00 2.24 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.90 0.00 0.00 0.00 0.00 0.00 2.33 2.44 0.00 44 M 7.78 4.30 0.00 1.74 1.94 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 1.59 0.00 45 M 8.85 4.80 0.00 2.00 1.94 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.52 0.00 46 M 8.66 3.98 0.00 2.10 2.06 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.66 0.00 47 E 8.09 3.98 0.00 2.22 2.18 0.00 0.00 0.00 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 2.40 0.00 48 D 7.97 4.28 0.00 2.66 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 0.00 0.00 0.00 0.00 49 I 7.46 3.49 1.92 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.85 0.82 0.00 0.00 50 L 7.99 3.93 0.00 1.83 1.69 0.90 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 51 R 7.91 3.89 0.00 1.87 2.12 0.00 3.36 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.66 0.00 52 V 7.53 3.77 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 0.71 0.00 0.00 0.72 0.00 0.00 53 G 7.62 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.75 3.69 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 0.53 0.00 0.00 0.32 0.00 0.00 55 T 8.27 4.37 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 1.26 0.00 0.00 56 L 7.75 4.16 0.00 1.55 1.52 0.79 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 57 A 8.82 4.25 1.32 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 58 G 8.01 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.19 4.33 0.00 3.36 3.41 0.00 5.65 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 60 Q 8.30 3.97 0.00 2.25 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.81 0.00 0.00 0.00 0.00 0.00 2.33 2.50 0.00 61 K 8.32 3.94 0.00 1.82 2.02 0.00 1.65 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.46 7.81 62 K 8.20 3.90 0.00 2.02 1.93 0.00 1.56 0.00 0.00 1.62 0.00 0.00 3.12 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.36 1.48 7.81 63 I 8.13 3.81 1.97 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 1.37 0.49 1.21 0.00 0.00 64 L 8.48 4.07 0.00 1.75 1.73 0.95 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 65 N 8.70 4.37 0.00 2.82 2.89 0.00 0.00 6.64 7.15 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 66 S 8.31 4.18 0.00 4.08 4.30 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 0.00 0.00 0.00 0.00 67 I 8.23 3.74 2.05 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 1.54 0.89 0.92 0.00 0.00 68 Q 8.32 3.94 0.00 2.23 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 69 V 8.07 3.56 2.24 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 0.94 0.00 0.00 0.98 0.00 0.00 70 M 8.35 3.91 0.00 2.14 1.89 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.48 0.00 71 R 8.15 3.89 0.00 2.03 1.95 0.00 3.18 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.86 0.00 72 A 8.17 4.04 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 73 Q 8.22 3.90 0.00 2.10 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.75 0.00 0.00 0.00 0.00 0.00 2.27 2.34 0.00 74 M 8.51 4.07 0.00 2.02 2.07 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.54 0.00 75 N 8.47 4.45 0.00 2.85 2.87 0.00 0.00 6.97 7.58 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 76 Q 7.67 4.14 0.00 2.30 2.05 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 2.32 2.38 0.00 77 I 7.29 3.69 1.84 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.69 0.88 0.00 0.00 78 Q 7.86 4.14 0.00 2.28 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.99 0.00 0.00 0.00 0.00 0.00 2.38 2.44 0.00 79 S 7.94 4.43 0.00 4.01 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