NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9598 8.3549 109.7377 45.4996 0.0000 172.3001 2 S 4.6266 8.0859 114.4313 55.9447 65.2932 172.1370 3 S 4.4542 7.8315 116.3998 57.3478 65.7024 174.4544 4 G 4.1860 7.8460 111.2294 45.4950 0.0000 172.7341 5 S 4.7988 8.7413 121.8610 56.1061 66.3102 173.9739 6 S 4.8451 8.4115 117.6932 56.1000 66.4989 172.7688 7 G 3.3722 8.9068 112.6321 46.9948 0.0000 173.6585 8 P 4.4583 0.0000 0.0000 62.3082 33.1405 176.3068 9 T 4.2316 8.1161 108.8094 59.9982 69.6953 174.3440 10 K 4.3530 8.0936 124.9380 54.5329 34.8902 175.3925 11 Y 4.5562 8.2758 116.1703 56.2555 39.2268 174.9209 12 K 4.5727 8.3585 122.9722 54.3490 35.4890 176.0063 13 E 4.4375 8.7593 123.6456 54.7552 30.2174 176.5653 14 R 4.0577 8.5546 122.8388 56.0074 31.0293 176.8628 15 A 4.3179 8.1873 121.2749 51.1796 20.4658 177.0670 16 P 4.2816 0.0000 0.0000 65.5480 31.3299 178.8332 17 E 4.0688 7.9835 118.1888 59.1222 29.7336 178.6698 18 Q 3.8510 7.8588 117.4524 58.8764 28.8764 178.4008 19 L 3.6167 7.7891 119.8604 58.1794 41.2439 179.6950 20 R 3.7660 7.4845 116.7594 59.5593 30.0668 178.1024 21 A 3.9778 7.4981 119.9524 55.3604 18.3656 179.1995 22 L 3.6124 7.6516 117.7113 57.1854 41.2363 179.2294 23 E 4.1295 8.4974 118.5282 60.0308 29.4044 179.9108 24 S 4.1595 7.5571 111.1035 61.4231 62.7724 175.9212 25 S 4.2951 7.9760 115.4842 61.2000 62.0735 175.4287 26 F 4.8595 9.2741 125.2053 61.0309 38.8691 176.8348 27 A 3.9583 7.6665 118.3718 55.5535 18.1651 179.4340 28 Q 4.0606 7.8865 114.9464 57.5577 29.0432 176.5565 29 N 4.7606 7.3280 115.8117 50.8834 40.3720 173.7980 30 P 4.7023 0.0000 0.0000 65.1273 31.7860 176.3640 31 L 4.2748 7.2040 118.4529 51.2887 41.7973 173.9614 32 P 4.2908 0.0000 0.0000 61.9864 32.4640 177.8515 33 L 4.3502 8.0924 120.3613 53.7046 44.0686 177.8059 34 D 4.3370 8.5233 118.9321 57.5227 38.6185 177.7838 35 E 3.8543 8.3350 119.7913 59.4117 28.9615 178.7908 36 E 3.9618 8.2044 118.3132 59.6176 29.5684 179.1889 37 L 4.1049 7.9480 119.0441 57.5224 41.4742 178.5956 38 D 4.3454 8.4198 117.7072 57.3829 41.3068 178.5703 39 R 4.0492 7.7172 117.7176 59.3496 30.2049 178.8142 40 L 3.9456 7.5686 118.0204 58.0690 41.5446 179.6722 41 R 4.2059 8.3130 119.5153 58.5642 29.6874 178.9884 42 S 4.0462 7.8797 112.2175 61.2464 62.4771 175.8010 43 E 4.1246 7.8409 119.6281 59.5928 29.8125 178.9172 44 T 3.8341 8.3371 109.9228 62.3627 68.6755 174.4156 45 K 3.8280 8.1131 119.8114 57.8661 30.1243 174.1145 46 M 4.9404 7.8886 116.1173 53.6234 35.8279 175.5655 47 T 4.5729 8.2521 109.9369 60.2493 72.0982 175.6155 48 R 3.9620 8.5673 121.3042 59.7927 30.1096 179.2876 49 R 3.9664 7.9842 114.9450 59.3430 29.2363 178.4663 50 E 3.9374 7.5078 116.8726 59.1383 29.8418 179.0235 51 I 3.8516 8.0984 119.8574 64.6018 37.3628 177.6708 52 D 4.6505 8.5348 119.1797 57.8865 40.9366 178.6047 53 S 4.1379 8.1677 113.1246 61.4269 62.3530 175.2884 54 W 4.0331 8.2405 130.6809 60.7073 30.2768 177.4165 55 F 3.8878 8.5350 116.5735 61.0999 38.4026 177.8260 56 S 4.4065 7.9776 110.1529 60.9628 62.1332 175.1823 57 E 4.2271 7.6188 119.2830 57.1353 30.1473 177.4220 58 R 3.5995 7.6173 119.5098 58.1247 29.8837 178.1384 59 R 4.3304 8.0616 116.5858 59.4174 28.6404 178.5789 60 K 3.8278 7.8194 118.7133 59.3120 32.8750 178.9763 61 K 3.9256 8.2692 121.4320 59.2140 31.9123 178.8708 62 V 3.6681 7.5869 116.6611 65.2344 31.6390 176.9861 63 N 4.5501 7.5167 114.7560 55.1633 38.5847 176.5447 64 A 4.3501 7.3873 120.5976 53.3256 19.7240 177.2032 65 E 3.9005 7.7711 113.8299 56.8513 29.7521 175.6344 66 E 3.7564 8.6934 115.6568 56.8771 27.9275 174.4126 67 T 3.9559 8.2128 112.5574 63.4670 69.2805 174.5861 68 K 4.1558 8.7816 125.9928 59.8192 32.5734 177.0256 69 K 3.8544 7.8956 117.2822 56.4445 32.5301 176.6473 70 S 4.4397 8.3662 114.5096 57.0860 60.8688 172.8548 71 G 3.9875 7.9592 115.3335 42.1696 0.0000 167.5539 72 P 4.4420 0.0000 0.0000 63.0938 30.0145 176.3101 73 S 4.4323 7.8583 120.6978 57.2174 66.9390 172.6841 74 S 3.9274 8.7193 116.1612 59.4707 61.3973 174.5533 75 G 4.2601 8.5777 115.2340 45.9640 0.0000 171.8677 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 G 8.35 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 0.00 0.00 0.00 2 S 8.09 4.63 0.00 3.92 3.77 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 3 S 7.83 4.45 0.00 3.78 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 4 G 7.85 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 0.00 0.00 0.00 5 S 8.74 4.80 0.00 3.82 3.73 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 6 S 8.41 4.85 0.00 3.90 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 7 G 8.91 3.37 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 0.00 8 P 0.00 4.46 0.00 2.17 2.08 0.00 3.74 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.95 0.00 9 T 8.12 4.23 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 1.13 0.00 0.00 10 K 8.09 4.35 0.00 1.65 1.75 0.00 1.74 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.29 1.34 7.81 11 Y 8.28 4.56 0.00 2.85 2.89 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 12 K 8.36 4.57 0.00 1.70 1.70 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.87 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.36 1.45 7.81 13 E 8.76 4.44 0.00 1.98 1.92 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 2.29 2.35 0.00 14 R 8.55 4.06 0.00 1.87 1.86 0.00 3.37 0.00 0.00 3.27 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.88 0.00 15 A 8.19 4.32 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 16 P 0.00 4.28 0.00 2.27 2.32 0.00 3.68 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 2.06 2.04 0.00 17 E 7.98 4.07 0.00 1.97 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 2.37 2.32 0.00 18 Q 7.86 3.85 0.00 1.97 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.82 0.00 0.00 0.00 0.00 0.00 2.49 2.39 0.00 19 L 7.79 3.62 0.00 1.74 1.69 0.97 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 20 R 7.48 3.77 0.00 2.04 2.08 0.00 3.08 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.69 0.00 21 A 7.50 3.98 1.34 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 0.00 0.00 22 L 7.65 3.61 0.00 0.98 0.13 -0.38 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 23 E 8.50 4.13 0.00 2.06 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 0.00 2.53 2.41 0.00 24 S 7.56 4.16 0.00 3.98 4.12 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 25 S 7.98 4.30 0.00 4.11 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 26 F 9.27 4.86 0.00 3.54 3.53 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 27 A 7.67 3.96 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 28 Q 7.89 4.06 0.00 2.19 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.50 0.00 0.00 0.00 0.00 0.00 2.40 2.39 0.00 29 N 7.33 4.76 0.00 2.66 2.78 0.00 0.00 6.78 7.56 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 30 P 0.00 4.70 0.00 2.35 2.34 0.00 3.58 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.93 0.00 31 L 7.20 4.27 0.00 1.52 1.53 0.92 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.29 0.00 2.14 1.95 0.00 2.84 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.78 0.00 33 L 8.09 4.35 0.00 1.70 1.65 0.91 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 34 D 8.52 4.34 0.00 2.95 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 35 E 8.34 3.85 0.00 1.99 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 2.34 0.00 36 E 8.20 3.96 0.00 2.07 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 2.39 2.51 0.00 37 L 7.95 4.10 0.00 1.96 1.74 0.99 1.13 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 38 D 8.42 4.35 0.00 2.77 2.78 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 39 R 7.72 4.05 0.00 2.06 1.95 0.00 3.35 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.81 0.00 40 L 7.57 3.95 0.00 1.85 1.69 1.04 0.91 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 41 R 8.31 4.21 0.00 2.09 2.00 0.00 3.21 0.00 0.00 3.20 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.71 0.00 42 S 7.88 4.05 0.00 3.84 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 43 E 7.84 4.12 0.00 1.92 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 2.28 2.33 0.00 44 T 8.34 3.83 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 1.02 0.00 0.00 45 K 8.11 3.83 0.00 1.87 1.91 0.00 1.64 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.63 1.51 7.81 46 M 7.89 4.94 0.00 2.05 1.93 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.45 0.00 47 T 8.25 4.57 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 1.22 0.00 0.00 48 R 8.57 3.96 0.00 1.94 2.09 0.00 3.20 0.00 0.00 3.41 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.82 0.00 49 R 7.98 3.97 0.00 2.06 2.21 0.00 2.98 0.00 0.00 3.35 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.74 0.00 50 E 7.51 3.94 0.00 2.32 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 51 I 8.10 3.85 1.98 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 1.34 0.80 1.10 0.00 0.00 52 D 8.53 4.65 0.00 3.05 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 53 S 8.17 4.14 0.00 4.18 4.02 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 0.00 0.00 0.00 54 W 8.24 4.03 0.00 3.33 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 55 F 8.54 3.89 0.00 3.45 3.31 0.00 0.00 0.00 0.00 0.00 0.00 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 7.98 4.41 0.00 3.95 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 57 E 7.62 4.23 0.00 2.03 1.74 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 2.19 2.35 0.00 58 R 7.62 3.60 0.00 0.67 0.66 0.00 2.67 0.00 0.00 2.56 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.56 0.00 59 R 8.06 4.33 0.00 2.35 2.60 0.00 3.00 0.00 0.00 3.31 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.73 0.00 60 K 7.82 3.83 0.00 1.97 2.14 0.00 1.44 0.00 0.00 1.83 0.00 0.00 2.86 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.40 7.81 61 K 8.27 3.93 0.00 1.82 1.76 0.00 1.52 0.00 0.00 1.51 0.00 0.00 2.80 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.36 7.81 62 V 7.59 3.67 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 1.16 0.00 0.00 0.92 0.00 0.00 63 N 7.52 4.55 0.00 2.91 2.86 0.00 0.00 7.05 7.28 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 64 A 7.39 4.35 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 65 E 7.77 3.90 0.00 2.08 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 2.52 2.28 0.00 66 E 8.69 3.76 0.00 2.11 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 2.20 2.26 0.00 67 T 8.21 3.96 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 68 K 8.78 4.16 0.00 1.86 1.96 0.00 1.60 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.49 7.81 69 K 7.90 3.85 0.00 1.88 1.90 0.00 1.56 0.00 0.00 1.63 0.00 0.00 3.00 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.42 1.45 7.81 70 S 8.37 4.44 0.00 3.85 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 G 7.96 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 72 P 0.00 4.44 0.00 2.19 2.12 0.00 3.74 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 1.99 1.99 0.00 73 S 7.86 4.43 0.00 3.82 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 S 8.72 3.93 0.00 3.83 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 75 G 8.58 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