NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.3790 8.2993 120.1364 55.9607 33.6470 175.7768 2 S 4.2487 8.5099 116.7072 57.1765 64.9818 172.9624 3 P 4.3703 0.0000 0.0000 66.0760 31.4864 180.0972 4 E 4.0480 8.1683 116.7613 59.3639 29.5014 179.0380 5 E 4.0572 8.3206 118.6862 59.6084 29.4875 179.5411 6 I 4.0647 8.2174 120.0228 64.2054 37.0678 178.4020 7 K 4.2538 8.6161 120.8290 59.4542 32.1404 179.0479 8 G 3.6298 8.3723 105.7791 47.7675 0.0000 175.4940 9 A 4.0219 8.2387 123.5093 54.7810 18.4524 179.3469 10 F 3.4359 8.7065 119.5436 61.5072 39.4156 177.2513 11 E 3.8382 8.5696 118.3586 59.1846 28.9775 179.5847 12 V 3.3932 7.2750 117.1774 66.0114 31.4663 177.9000 13 F 4.3294 7.6301 116.9930 60.4040 38.7973 177.6093 14 A 3.7801 8.0682 120.5231 54.4114 18.0590 178.9645 15 A 4.1674 7.8181 118.4900 53.4093 18.4556 179.1863 16 K 3.7918 7.2952 117.7876 58.8290 32.3244 177.6774 17 E 4.5204 8.6665 117.4113 55.8460 30.2349 177.1237 18 G 3.7953 7.9480 106.7740 45.2475 0.0000 173.7440 19 D 4.2648 8.3219 116.0537 54.4113 38.3889 171.6558 20 P 4.5849 0.0000 0.0000 62.7027 31.8172 177.6256 21 N 4.9414 8.0743 115.7219 54.3811 39.1513 174.9875 22 Q 4.9793 7.8371 116.1991 54.3563 33.3527 174.6533 23 I 4.4945 9.0011 125.1786 59.8650 38.4234 175.9187 24 S 4.5812 9.2445 123.1939 57.5401 64.1306 175.4290 25 K 3.8623 8.7699 120.7780 59.8093 31.5808 178.0575 26 E 4.1161 8.1026 118.1743 59.6338 29.1238 179.1230 27 E 4.1041 8.2555 118.4540 58.9994 29.4346 179.0132 28 L 4.0146 8.2049 120.6624 57.2408 42.0556 178.5445 29 K 3.7786 7.6299 119.0367 59.9183 32.0215 178.5251 30 L 4.1189 7.6327 117.4197 57.2851 41.5401 179.6707 31 V 2.7856 7.2538 118.1060 65.8298 31.5272 177.5166 32 M 3.9775 8.0854 118.0916 58.8340 31.8461 178.2441 33 Q 4.0411 7.9170 117.3605 58.9367 28.9136 178.5608 34 T 4.1277 7.6947 110.0724 64.7489 69.1725 176.7235 35 L 4.1222 7.7050 121.0529 55.9881 42.1293 178.5923 36 G 3.9894 8.0316 105.5102 43.9886 0.0000 172.3964 37 P 4.2658 0.0000 0.0000 65.3587 31.4526 178.0914 38 S 4.2725 8.0561 114.0084 60.5151 63.2316 174.9762 39 L 4.3042 7.9304 119.0037 56.5084 42.5617 177.6562 40 L 4.3977 7.7237 120.3681 53.2559 40.3009 176.8187 41 K 4.0896 7.4993 118.4775 57.6888 33.0589 178.3740 42 G 3.8043 8.8891 110.3377 45.8689 0.0000 173.1221 43 M 4.4737 7.4057 118.9053 53.5822 32.2933 175.9649 44 S 4.3350 8.5719 121.3673 60.5351 63.7317 175.0093 45 T 4.7417 7.3888 109.0605 58.6550 73.1752 174.2078 46 L 3.9219 8.4310 121.9225 58.6333 41.9319 178.6336 47 D 4.3789 8.0493 118.1656 57.4409 40.7178 178.4700 48 E 4.0329 8.0556 119.2666 59.2280 29.5219 179.0634 49 M 3.9963 8.0430 118.5158 58.7025 32.3689 178.2410 50 I 3.7169 7.8566 119.9886 64.4362 37.0425 177.8611 51 E 3.9746 7.9641 119.0698 59.4029 29.4603 178.2865 52 E 4.0447 7.8848 118.1597 58.7374 29.7817 178.1128 53 V 4.1787 7.3053 116.3236 63.9074 32.9402 176.1538 54 D 4.7844 8.3285 118.6021 53.4742 39.8686 175.5720 55 K 4.1204 8.4326 125.2591 58.4000 32.5570 177.9119 56 N 4.5691 8.3617 113.7448 52.1793 37.7754 175.6134 57 G 3.8902 8.0129 107.2073 46.6987 0.0000 174.0392 58 D 4.5218 8.2010 117.0600 52.8170 39.6371 177.4548 59 G 3.9440 8.9501 108.6014 45.6548 0.0000 172.6351 60 E 4.9161 8.2830 116.3355 54.4096 33.5798 175.0995 61 V 4.7370 8.8051 120.3874 61.2446 33.5754 175.5318 62 S 5.1136 9.2970 123.6145 57.5468 64.8268 175.2870 63 F 2.7688 8.5567 121.1141 61.0540 39.0331 176.4337 64 E 3.6224 8.0347 118.2945 59.2856 29.4163 178.5005 65 E 3.9477 8.0483 118.3290 59.2548 29.4494 179.0734 66 F 4.1454 8.4679 121.1516 61.0331 39.4547 176.8944 67 L 3.6805 7.8205 120.3881 58.0883 41.8441 179.1917 68 V 3.4862 7.4915 117.8762 65.9595 31.4736 177.4549 69 M 3.8817 7.9688 117.9723 59.1522 31.7333 178.2163 70 M 3.8837 7.8288 118.6859 58.0611 31.7874 178.7208 71 K 3.9110 7.8127 119.1381 59.3968 32.4319 178.8052 72 K 4.1127 7.9067 118.2128 58.8277 32.1189 178.6093 73 I 4.0919 7.4674 110.6663 61.7235 38.1499 176.5258 74 S 4.4681 7.5172 121.7543 58.7746 63.0292 173.5162 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 K 8.30 4.38 0.00 1.81 1.98 0.00 1.79 0.00 0.00 1.78 0.00 0.00 3.06 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.38 1.46 7.81 2 S 8.51 4.25 0.00 4.08 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 0.00 3 P 0.00 4.37 0.00 2.25 2.26 0.00 3.64 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 2.16 2.24 0.00 4 E 8.17 4.05 0.00 2.09 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 0.00 2.41 2.47 0.00 5 E 8.32 4.06 0.00 2.26 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 2.38 2.40 0.00 6 I 8.22 4.06 2.10 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 1.52 0.92 1.21 0.00 0.00 7 K 8.62 4.25 0.00 1.92 1.95 0.00 0.61 0.00 0.00 1.04 0.00 0.00 3.06 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.26 1.53 7.81 8 G 8.37 3.63 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 0.00 0.00 0.00 9 A 8.24 4.02 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.71 3.44 0.00 2.95 3.36 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.57 3.84 0.00 2.21 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 2.37 2.55 0.00 12 V 7.27 3.39 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.48 0.00 0.00 0.84 0.00 0.00 13 F 7.63 4.33 0.00 3.00 2.88 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 14 A 8.07 3.78 0.73 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 15 A 7.82 4.17 1.27 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 0.00 0.00 16 K 7.30 3.79 0.00 1.77 1.96 0.00 1.80 0.00 0.00 1.73 0.00 0.00 3.06 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.51 7.81 17 E 8.67 4.52 0.00 2.05 1.88 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 2.22 2.20 0.00 18 G 7.95 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 19 D 8.32 4.26 0.00 2.82 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.58 0.00 2.20 2.10 0.00 3.41 0.00 0.00 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.93 0.00 21 N 8.07 4.94 0.00 2.92 3.00 0.00 0.00 6.68 8.70 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 22 Q 7.84 4.98 0.00 1.95 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.79 0.00 0.00 0.00 0.00 0.00 2.37 2.70 0.00 23 I 9.00 4.49 1.91 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.24 0.87 0.00 0.00 24 S 9.24 4.58 0.00 3.89 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 25 K 8.77 3.86 0.00 1.78 1.89 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.43 1.54 7.81 26 E 8.10 4.12 0.00 2.02 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 2.40 2.35 0.00 27 E 8.26 4.10 0.00 2.22 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 0.00 2.32 2.30 0.00 28 L 8.20 4.01 0.00 1.91 1.79 0.96 0.81 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 29 K 7.63 3.78 0.00 1.96 1.81 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.50 7.81 30 L 7.63 4.12 0.00 1.92 1.91 0.99 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 31 V 7.25 2.79 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 0.95 0.00 0.00 0.08 0.00 0.00 32 M 8.09 3.98 0.00 2.20 2.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.56 0.00 33 Q 7.92 4.04 0.00 2.09 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.75 0.00 0.00 0.00 0.00 0.00 2.40 2.51 0.00 34 T 7.69 4.13 4.37 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 1.43 0.00 0.00 35 L 7.71 4.12 0.00 1.62 1.74 0.84 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 36 G 8.03 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 37 P 0.00 4.27 0.00 2.18 2.19 0.00 3.77 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 38 S 8.06 4.27 0.00 3.88 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 39 L 7.93 4.30 0.00 1.60 1.67 0.96 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 40 L 7.72 4.40 0.00 1.77 1.59 0.88 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 41 K 7.50 4.09 0.00 1.72 1.73 0.00 1.79 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.43 1.42 7.81 42 G 8.89 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 43 M 7.41 4.47 0.00 2.00 2.13 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.45 0.00 44 S 8.57 4.34 0.00 3.85 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 45 T 7.39 4.74 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 1.21 0.00 0.00 46 L 8.43 3.92 0.00 1.77 1.71 0.90 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 47 D 8.05 4.38 0.00 2.72 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 48 E 8.06 4.03 0.00 2.04 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 2.32 2.45 0.00 49 M 8.04 4.00 0.00 2.23 2.04 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.57 0.00 50 I 7.86 3.72 2.01 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 1.42 0.51 0.92 0.00 0.00 51 E 7.96 3.97 0.00 2.06 2.20 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 2.32 2.32 0.00 52 E 7.88 4.04 0.00 1.94 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 0.00 2.29 2.33 0.00 53 V 7.31 4.18 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 0.97 0.00 0.00 54 D 8.33 4.78 0.00 2.66 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 55 K 8.43 4.12 0.00 1.78 1.85 0.00 1.79 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.61 1.35 7.81 56 N 8.36 4.57 0.00 2.86 2.93 0.00 0.00 7.02 6.99 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 57 G 8.01 3.89 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 0.00 0.00 0.00 58 D 8.20 4.52 0.00 2.78 2.80 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 59 G 8.95 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 60 E 8.28 4.92 0.00 2.00 2.04 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 2.31 2.40 0.00 61 V 8.81 4.74 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 1.26 0.00 0.00 1.01 0.00 0.00 62 S 9.30 5.11 0.00 3.98 4.05 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 0.00 0.00 0.00 63 F 8.56 2.77 0.00 2.32 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 64 E 8.03 3.62 0.00 2.05 1.89 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 2.32 2.33 0.00 65 E 8.05 3.95 0.00 2.36 2.17 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 2.33 2.31 0.00 66 F 8.47 4.15 0.00 3.27 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 67 L 7.82 3.68 0.00 1.19 1.50 0.83 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 68 V 7.49 3.49 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 0.88 0.00 0.00 0.92 0.00 0.00 69 M 7.97 3.88 0.00 2.00 1.95 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.41 0.00 70 M 7.83 3.88 0.00 1.91 1.99 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 1.91 0.00 71 K 7.81 3.91 0.00 1.77 1.93 0.00 1.76 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.44 7.81 72 K 7.91 4.11 0.00 1.85 1.81 0.00 1.73 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.70 1.54 7.81 73 I 7.47 4.09 2.02 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.50 0.88 0.00 0.00 74 S 7.52 4.47 0.00 3.85 3.78 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 0.00 0.00 0.00