NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.1513 8.1701 115.2428 61.6911 68.4047 173.4315 3 A 4.1928 8.3351 130.3700 51.2776 19.5337 174.9235 4 L 4.7529 8.3735 120.0835 52.7966 45.2609 175.3051 5 A 4.1373 8.2677 124.6750 51.3697 19.1695 177.4691 6 K 4.0216 8.4369 122.7390 55.5545 32.0376 175.2518 7 P 4.5624 0.0000 0.0000 61.4501 32.5122 175.6208 8 Q 4.0582 8.4308 120.1749 56.6712 29.1186 175.4518 9 M 4.7275 8.6398 122.5075 54.7821 33.3008 175.4544 10 R 4.6185 7.6168 118.0355 55.1319 33.3998 175.5406 11 G 3.9315 8.6516 107.1391 46.7831 0.0000 176.1359 12 L 3.9890 7.3387 118.9407 57.1374 41.5540 178.8156 13 L 3.9467 7.8670 119.8263 58.0053 42.1100 178.6165 14 A 4.0003 7.9374 120.3219 55.0881 18.3744 179.3754 15 R 3.8304 8.1730 117.2798 59.6030 30.2498 178.7439 16 R 3.9241 7.9632 118.4185 59.1894 30.0158 178.1659 17 L 3.9592 8.1260 120.1621 58.1817 42.1747 178.6386 18 R 3.8819 8.2068 118.8256 59.5888 30.0320 177.9527 19 F 3.9931 8.1935 120.0724 61.8785 39.3957 176.7385 20 H 4.4487 8.4335 114.9621 58.2162 28.5546 177.9171 21 I 3.7922 8.0422 122.4101 64.1783 36.9386 178.4385 22 V 3.6727 7.8016 119.3046 65.9632 31.3619 178.3657 23 G 3.4788 7.9044 105.1620 47.6586 0.0000 175.5432 24 A 4.0548 8.2346 123.1755 54.8055 18.3461 179.5505 25 F 4.1267 8.3222 119.2868 61.7315 39.5026 177.2962 26 M 3.9097 8.1211 118.3654 58.4757 31.7714 179.0162 27 V 3.6615 7.8717 118.2410 65.8217 31.5360 178.3657 28 S 4.1719 7.8708 115.2451 61.4356 62.6405 176.5485 29 L 3.9624 7.7418 121.9134 57.6851 41.3039 179.8307 30 G 3.6037 8.1123 105.7655 47.6828 0.0000 175.6144 31 F 4.2948 8.5475 122.8422 60.8302 39.3500 177.1554 32 A 3.8811 8.4262 120.7625 55.5249 18.0040 179.6127 33 T 3.8053 7.7720 112.8179 66.7340 68.7532 176.3459 34 F 4.2848 8.1758 122.3355 61.5196 39.4284 176.4974 35 Y 3.6051 8.2698 119.4124 60.2370 38.3607 177.6923 36 K 4.6114 8.2296 118.3738 56.0981 33.1630 177.3686 37 F 4.7851 8.1589 120.5269 59.7626 45.2841 175.8365 38 A 3.2848 7.6604 120.9761 53.1306 18.7025 177.2709 39 V 3.7935 6.8125 112.9063 63.6509 33.4030 177.0139 40 A 3.8808 7.2531 120.7568 55.3343 18.2150 179.2379 41 E 3.8762 7.8784 115.6866 59.1284 29.6870 179.3186 42 K 3.6905 7.3250 119.2044 59.4762 32.2013 178.7869 43 R 3.9179 7.8483 118.7361 59.4351 30.0668 178.6182 44 K 4.0158 7.9294 118.1862 59.4558 32.0517 179.3309 45 K 4.0005 8.5123 120.0668 59.1652 32.0945 178.7669 46 A 3.9227 8.1492 121.2457 55.4271 18.2898 179.3112 47 Y 3.7095 8.1329 114.9088 61.0005 38.0963 178.3646 48 A 4.1737 8.3705 121.8094 55.3306 18.2781 179.4804 49 D 4.3401 8.4831 116.7866 57.3478 40.9643 178.4703 50 F 4.0695 8.0330 120.1069 61.4686 39.6274 176.3920 51 Y 4.4758 8.2899 114.9713 59.2217 37.6274 177.4353 52 R 4.0759 7.6431 119.6712 58.8834 30.3855 177.9422 53 N 5.0679 7.8357 113.6377 52.7593 39.7049 174.0601 54 Y 4.0249 7.7815 119.8168 57.3865 39.5646 174.8434 55 D 4.5129 7.7901 126.1521 52.1078 42.7589 176.4324 56 S 3.7721 7.8794 123.5695 61.4595 63.1079 176.1919 57 M 4.1380 7.9570 121.9120 57.9400 31.8519 178.3548 58 K 3.9316 8.2546 119.9094 59.4317 32.3740 178.2902 59 D 4.3569 8.1643 118.3815 57.3943 41.1307 178.0144 60 F 4.3891 8.5099 121.2175 61.2922 39.3187 176.4939 61 E 3.6332 8.7275 119.3344 59.3444 29.3042 178.6524 62 E 3.8995 8.1631 118.3657 59.8021 29.4175 179.3636 63 M 3.9251 8.0407 118.6417 58.1156 31.8666 178.8257 64 R 3.9576 8.0662 119.2541 59.5050 30.0740 178.8636 65 K 3.9125 7.9939 116.5556 58.8668 32.0591 178.5108 66 A 4.2358 7.5030 119.3536 52.1316 18.6096 177.8118 67 G 3.7995 7.9658 105.6547 46.3003 0.0000 175.1564 68 I 3.7753 7.0799 115.0940 62.2173 38.0571 176.2717 69 F 4.9144 7.4860 119.2891 56.9253 39.9089 175.5176 70 Q 4.3185 8.9057 122.7742 57.9449 29.1448 177.2375 71 S 4.4256 8.1487 109.8204 58.6071 63.9387 173.7345 72 A 4.5847 7.9215 123.1899 50.6227 20.9042 175.8264 73 K 4.2558 8.7897 121.0968 57.0546 32.3675 176.8230 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 2 T 8.17 4.15 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 3 A 8.34 4.19 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 4 L 8.37 4.75 0.00 1.60 1.55 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 5 A 8.27 4.14 1.23 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 0.00 0.00 0.00 6 K 8.44 4.02 0.00 1.72 1.76 0.00 1.77 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.42 7.81 7 P 0.00 4.56 0.00 2.21 2.04 0.00 3.82 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 1.97 1.94 0.00 8 Q 8.43 4.06 0.00 2.02 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.84 0.00 0.00 0.00 0.00 0.00 2.33 2.32 0.00 9 M 8.64 4.73 0.00 1.99 2.02 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 2.64 2.50 0.00 10 R 7.62 4.62 0.00 1.82 1.78 0.00 3.28 0.00 0.00 3.34 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.57 0.00 11 G 8.65 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 12 L 7.34 3.99 0.00 1.71 1.72 0.91 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 13 L 7.87 3.95 0.00 1.76 1.66 0.93 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 14 A 7.94 4.00 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 15 R 8.17 3.83 0.00 1.94 2.18 0.00 3.23 0.00 0.00 3.06 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.77 0.00 16 R 7.96 3.92 0.00 2.05 2.14 0.00 3.17 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.73 0.00 17 L 8.13 3.96 0.00 1.83 1.88 0.95 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 18 R 8.21 3.88 0.00 1.93 2.15 0.00 3.18 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 19 F 8.19 3.99 0.00 3.18 3.14 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.43 4.45 0.00 3.41 3.38 0.00 5.86 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 I 8.04 3.79 1.95 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 1.62 0.83 0.90 0.00 0.00 22 V 7.80 3.67 2.15 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 0.93 0.00 0.00 0.90 0.00 0.00 23 G 7.90 3.48 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 0.00 24 A 8.23 4.05 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.32 4.13 0.00 3.12 3.25 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 26 M 8.12 3.91 0.00 2.07 2.20 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 3.04 0.00 27 V 7.87 3.66 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 1.02 0.00 0.00 1.00 0.00 0.00 28 S 7.87 4.17 0.00 3.99 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 29 L 7.74 3.96 0.00 1.60 1.56 0.18 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 30 G 8.11 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 31 F 8.55 4.29 0.00 3.11 3.30 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 32 A 8.43 3.88 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 33 T 7.77 3.81 4.43 0.00 0.00 0.00 0.00 0.00 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 34 F 8.18 4.28 0.00 3.19 3.21 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.27 3.61 0.00 2.28 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 36 K 8.23 4.61 0.00 1.84 1.84 0.00 1.78 0.00 0.00 1.67 0.00 0.00 3.06 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.56 1.64 7.81 37 F 8.16 4.79 0.00 2.85 3.05 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 38 A 7.66 3.28 0.53 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 0.00 0.00 0.00 39 V 6.81 3.79 0.82 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 0.66 0.00 0.00 0.39 0.00 0.00 40 A 7.25 3.88 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 41 E 7.88 3.88 0.00 1.91 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 2.50 2.33 0.00 42 K 7.32 3.69 0.00 1.76 1.72 0.00 1.46 0.00 0.00 1.39 0.00 0.00 2.78 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.30 1.25 7.81 43 R 7.85 3.92 0.00 2.05 2.08 0.00 3.24 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.84 0.00 44 K 7.93 4.02 0.00 2.01 1.86 0.00 1.88 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.57 7.81 45 K 8.51 4.00 0.00 1.79 1.77 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.54 1.57 7.81 46 A 8.15 3.92 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.13 3.71 0.00 3.18 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 48 A 8.37 4.17 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.48 4.34 0.00 2.84 2.75 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 50 F 8.03 4.07 0.00 2.80 2.76 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 0.00 0.00 0.00 0.00 51 Y 8.29 4.48 0.00 3.37 3.03 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 52 R 7.64 4.08 0.00 2.06 2.12 0.00 3.22 0.00 0.00 3.24 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.74 0.00 53 N 7.84 5.07 0.00 2.68 2.74 0.00 0.00 6.84 7.46 0.00 0.00 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 Y 7.78 4.02 0.00 2.82 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 55 D 7.79 4.51 0.00 2.57 2.33 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 56 S 7.88 3.77 0.00 4.15 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 0.00 57 M 7.96 4.14 0.00 2.09 2.24 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.51 0.00 58 K 8.25 3.93 0.00 1.94 1.88 0.00 1.60 0.00 0.00 1.51 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.52 1.42 7.81 59 D 8.16 4.36 0.00 2.91 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 60 F 8.51 4.39 0.00 3.15 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 61 E 8.73 3.63 0.00 2.35 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 2.33 2.38 0.00 62 E 8.16 3.90 0.00 2.25 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 2.31 2.45 0.00 63 M 8.04 3.93 0.00 1.65 2.34 0.00 0.00 0.00 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.87 2.51 0.00 64 R 8.07 3.96 0.00 1.17 1.73 0.00 3.28 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.86 0.00 65 K 7.99 3.91 0.00 1.69 1.82 0.00 1.70 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.48 7.81 66 A 7.50 4.24 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 67 G 7.97 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 68 I 7.08 3.78 1.59 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 -0.36 0.72 0.00 0.00 69 F 7.49 4.91 0.00 3.43 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 70 Q 8.91 4.32 0.00 2.13 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.94 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 71 S 8.15 4.43 0.00 3.97 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 72 A 7.92 4.58 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 73 K 8.79 4.26 0.00 1.79 1.75 0.00 1.83 0.00 0.00 1.80 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.39 7.81