NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 E 4.3885 8.4401 120.2269 56.4026 31.9792 175.2903 2 A 4.6538 7.8012 122.4873 52.0071 22.3165 175.7421 3 Q 4.5364 8.6992 117.9727 58.2286 29.8374 173.6107 4 T 4.5166 8.2445 113.4180 60.7678 71.9459 172.0219 5 E 4.2161 8.7506 119.7979 58.2546 30.8906 175.2884 6 T 5.7040 7.9215 114.4751 63.3761 73.0432 175.4353 7 C 4.6062 8.9145 118.1002 58.9653 40.8337 174.8765 8 T 4.2650 7.5926 116.4872 60.6712 65.3152 173.4621 9 V 3.9946 7.5859 123.7656 60.6688 33.6646 174.6694 10 A 3.9025 8.5234 124.9772 52.1273 18.2123 176.3720 11 P 4.0209 0.0000 0.0000 66.3235 31.5042 178.4565 12 R 4.0347 7.8660 114.9068 58.6313 30.1562 177.2278 13 E 4.3401 7.7941 114.5343 56.3138 30.1518 176.5562 14 R 3.8809 8.0685 119.8261 56.5258 30.5458 176.3938 15 Q 4.3340 8.9982 124.6756 55.3104 29.1499 173.7858 16 N 4.4700 8.5483 124.6306 52.7430 40.1434 174.3829 17 C 4.8631 9.1381 121.9177 54.4962 45.3118 174.2792 18 G 3.9262 8.0818 109.3429 47.0316 0.0000 174.5376 19 F 4.9233 7.6338 120.9256 53.8170 40.1191 175.0516 20 P 3.7665 0.0000 0.0000 65.4102 31.1094 177.5887 21 G 3.7501 8.1929 105.0861 45.5745 0.0000 173.9814 22 V 2.6816 6.0016 113.5227 61.8564 32.0941 175.7610 23 T 4.7676 8.1757 112.1440 58.5074 73.0959 173.0530 24 P 3.8977 0.0000 0.0000 66.0466 30.9321 178.5939 25 S 4.0667 7.7470 113.4071 61.0425 63.0996 176.0903 26 Q 4.0491 7.6511 120.3145 58.7091 28.6914 177.8550 27 C 4.3084 8.8660 119.4043 59.8296 42.0051 175.1908 28 A 3.5369 7.7675 121.7698 55.5586 17.6006 178.7826 29 N 4.2617 7.7423 114.0941 56.9174 38.9167 176.6199 30 K 4.2266 8.7294 119.7423 58.2174 33.8014 177.5746 31 G 4.2650 7.5597 105.8638 46.1599 0.0000 170.6203 32 C 4.8403 7.2778 113.8642 55.5362 39.9388 175.6786 33 C 4.6592 8.0527 116.9724 56.0466 41.1813 173.6145 34 F 5.0037 8.5594 125.4702 57.8898 40.6982 175.0375 35 D 4.5402 7.1184 118.0508 53.6444 43.6759 175.0436 36 D 3.3700 7.2746 123.0868 52.7285 40.0287 178.3698 37 T 4.0846 7.7419 109.5970 63.2488 69.3689 174.5683 38 V 4.3347 7.1924 121.6179 61.3006 34.4176 175.1748 39 R 4.4682 8.6024 126.1336 56.0741 31.5845 177.6309 40 G 3.7155 8.6757 109.0188 46.4667 0.0000 174.4641 41 V 4.3155 8.0633 112.2891 58.3096 33.7587 173.8558 42 P 4.1814 0.0000 0.0000 62.6649 32.0509 176.6682 43 W 4.5039 8.2606 121.1814 58.4240 30.6506 176.2689 44 C 5.1251 8.1314 121.0761 55.2853 39.5357 172.6774 45 F 5.3536 8.4448 120.1933 55.6245 41.8928 172.7362 46 Y 4.5397 8.6362 117.2642 56.9448 38.4704 174.4700 47 P 4.7447 0.0000 0.0000 61.9695 33.9041 176.2485 48 N 5.1052 9.0590 116.5292 51.7922 37.5689 172.3408 49 T 5.4634 7.9939 121.5269 61.7944 72.4321 172.7399 50 I 4.9078 8.7140 127.4251 59.5842 40.6274 174.3703 51 D 5.5689 8.4352 124.0445 54.1785 41.4815 175.2490 52 V 4.3038 8.4245 117.5685 62.5513 32.9772 174.2530 53 P 4.5345 0.0000 0.0000 61.8919 32.4435 173.5799 54 P 4.5805 0.0000 0.0000 63.1979 31.8977 175.2715 55 E 4.6701 7.9429 114.6214 55.3377 29.9627 175.7009 56 E 4.7554 7.6318 115.2509 57.0757 33.6895 172.6155 57 E 4.8330 8.1109 125.9514 55.8095 29.8315 178.1073 58 C 4.7996 8.6060 121.1664 60.5643 31.8469 174.0320 59 E 4.7023 7.9661 121.5657 55.1875 30.6847 175.3605 60 F 4.3861 8.1666 120.3143 57.4081 39.2938 176.1123 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 E 8.44 4.39 0.00 1.98 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.26 0.00 2 A 7.80 4.65 1.09 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 0.00 0.00 3 Q 8.70 4.54 0.00 1.96 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.65 0.00 0.00 0.00 0.00 0.00 2.36 2.30 0.00 4 T 8.24 4.52 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 1.30 0.00 0.00 5 E 8.75 4.22 0.00 2.09 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 2.42 2.39 0.00 6 T 7.92 5.70 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 1.26 0.00 0.00 7 C 8.91 4.61 0.00 2.97 2.94 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 8 T 7.59 4.26 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 1.25 0.00 0.00 9 V 7.59 3.99 2.25 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 0.85 0.00 0.00 1.14 0.00 0.00 10 A 8.52 3.90 1.30 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 0.00 0.00 11 P 0.00 4.02 0.00 1.97 2.05 0.00 3.62 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.03 0.00 12 R 7.87 4.03 0.00 1.77 1.96 0.00 3.32 0.00 0.00 3.20 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.57 0.00 13 E 7.79 4.34 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 2.26 2.30 0.00 14 R 8.07 3.88 0.00 1.68 1.69 0.00 2.64 0.00 0.00 2.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.66 0.00 15 Q 9.00 4.33 0.00 2.26 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.86 0.00 0.00 0.00 0.00 0.00 2.30 2.62 0.00 16 N 8.55 4.47 0.00 2.81 2.80 0.00 0.00 6.90 7.76 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 17 C 9.14 4.86 0.00 2.17 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 G 8.08 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 19 F 7.63 4.92 0.00 3.14 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 20 P 0.00 3.77 0.00 1.80 1.97 0.00 3.91 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 1.92 1.88 0.00 21 G 8.19 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 22 V 6.00 2.68 1.72 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 -1.03 0.00 0.00 0.89 0.00 0.00 23 T 8.18 4.77 4.09 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 1.45 0.00 0.00 24 P 0.00 3.90 0.00 2.04 1.92 0.00 3.19 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.57 0.00 25 S 7.75 4.07 0.00 4.06 4.11 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.65 4.05 0.00 2.41 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 7.08 0.00 0.00 0.00 0.00 0.00 2.52 2.82 0.00 27 C 8.87 4.31 0.00 3.11 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 28 A 7.77 3.54 1.40 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 0.00 0.00 0.00 29 N 7.74 4.26 0.00 2.76 3.20 0.00 0.00 7.28 6.06 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 30 K 8.73 4.23 0.00 1.69 1.81 0.00 1.77 0.00 0.00 1.76 0.00 0.00 3.10 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.47 1.60 7.81 31 G 7.56 4.26 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 0.00 0.00 0.00 32 C 7.28 4.84 0.00 2.53 2.82 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 33 C 8.05 4.66 0.00 2.17 2.73 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 34 F 8.56 5.00 0.00 3.04 2.91 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 35 D 7.12 4.54 0.00 2.97 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.27 3.37 0.00 1.58 1.54 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 0.00 0.00 0.00 0.00 37 T 7.74 4.08 4.18 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 0.00 0.00 1.15 0.00 0.00 38 V 7.19 4.33 2.05 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 0.94 0.00 0.00 0.88 0.00 0.00 39 R 8.60 4.47 0.00 1.95 1.95 0.00 3.89 0.00 0.00 3.60 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.67 0.00 40 G 8.68 3.72 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 0.00 0.00 0.00 41 V 8.06 4.32 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 0.69 0.00 0.00 1.00 0.00 0.00 42 P 0.00 4.18 0.00 2.29 1.98 0.00 3.68 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.96 0.00 43 W 8.26 4.50 0.00 3.23 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 0.00 0.00 0.00 44 C 8.13 5.13 0.00 2.97 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 45 F 8.44 5.35 0.00 3.26 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 46 Y 8.64 4.54 0.00 2.93 2.93 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 0.00 0.00 0.00 47 P 0.00 4.74 0.00 2.00 1.82 0.00 3.79 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.80 0.00 48 N 9.06 5.11 0.00 2.77 2.86 0.00 0.00 6.88 7.61 0.00 0.00 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 7.99 5.46 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 1.28 0.00 0.00 50 I 8.71 4.91 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 1.29 1.06 0.91 0.00 0.00 51 D 8.44 5.57 0.00 2.63 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 52 V 8.42 4.30 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 0.93 0.00 0.00 0.94 0.00 0.00 53 P 0.00 4.53 0.00 2.22 2.09 0.00 3.70 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.04 0.00 54 P 0.00 4.58 0.00 2.20 2.12 0.00 3.72 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.96 0.00 55 E 7.94 4.67 0.00 2.06 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 2.17 2.25 0.00 56 E 7.63 4.76 0.00 1.89 1.82 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 2.13 2.25 0.00 57 E 8.11 4.83 0.00 1.94 1.12 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 2.20 2.24 0.00 58 C 8.61 4.80 0.00 3.03 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 59 E 7.97 4.70 0.00 1.69 1.72 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 2.17 2.26 0.00 60 F 8.17 4.39 0.00 2.98 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00