NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4526 8.1627 118.3246 55.3375 33.6826 173.1473 2 Q 4.8826 8.2360 119.9499 52.4480 31.5037 172.6432 3 I 4.6475 9.1504 120.1025 59.0007 42.2417 173.4744 4 F 5.4274 8.8585 120.9271 55.6993 42.5699 174.8409 5 V 4.8712 9.1032 122.0705 61.1956 34.1484 174.4122 6 K 4.9809 9.1178 128.8410 55.8145 33.9816 176.4453 7 T 4.8486 8.4210 113.9672 59.5384 71.7207 175.1595 8 L 4.0972 8.6526 120.7433 57.3669 41.6459 178.3540 9 T 4.1958 7.6039 107.2764 61.5453 69.1995 175.6664 10 G 3.9410 8.0950 111.0751 45.1281 0.0000 173.8114 11 K 4.4066 7.6588 118.8299 56.0905 34.1132 175.9270 12 T 5.0153 8.3212 118.0506 62.0943 71.1828 173.4852 13 I 4.4382 9.0671 128.3510 60.2544 39.2821 174.9181 14 T 4.9682 8.5351 123.0357 61.9706 70.2440 173.9839 15 L 4.7804 8.7249 125.7733 52.7911 45.9102 174.9930 16 E 4.8472 8.6828 123.3983 54.9428 30.6323 175.2316 17 V 4.6827 8.7756 119.6332 60.0001 36.4190 174.4999 18 E 4.5219 9.5139 121.5059 54.3710 31.4594 175.7842 19 P 4.1252 0.0000 0.0000 65.9007 31.5097 178.1280 20 S 4.5780 7.8206 110.6817 58.2239 63.1824 173.8850 21 D 4.4573 8.0210 122.5838 54.4049 41.2609 176.4970 22 T 4.6869 8.1984 113.6879 61.1846 71.3069 175.9834 23 I 3.7408 8.4483 122.7584 64.4683 37.0244 178.4776 24 E 3.9276 8.2854 120.3121 59.3249 29.5375 178.6502 25 N 4.3430 8.0824 116.6146 56.2260 38.5263 177.5883 26 V 3.5924 7.6936 119.6525 65.9556 31.5619 178.2745 27 K 4.2865 8.6375 119.5970 58.8347 31.9467 179.1920 28 A 3.9839 8.0354 121.2139 55.0537 18.2784 179.8778 29 K 3.9706 7.8735 116.6041 59.6550 32.1118 179.7242 30 I 3.7570 7.9320 120.2948 64.2302 36.8811 178.2132 31 Q 4.2763 8.2621 122.1101 58.8370 28.6491 178.1909 32 D 4.3428 7.7949 118.4880 57.0712 40.8851 178.7509 33 K 4.1313 7.9789 118.1855 59.1568 32.3475 178.5519 34 E 4.5785 8.4744 115.3982 55.0081 30.4300 176.4267 35 G 3.8363 8.1897 107.1392 46.5255 0.0000 173.3453 36 I 4.3002 7.5361 120.1521 58.4608 39.0337 175.2903 37 A 4.1109 8.6717 127.8750 52.5032 18.9592 177.9651 38 A 4.0344 9.1452 126.1342 55.2251 18.5872 179.2551 39 D 4.5651 8.0698 113.0419 55.2562 39.8288 176.5333 40 Q 4.7195 7.9646 118.2933 55.1864 30.3767 175.2511 41 Q 4.6796 7.9131 119.7176 55.2932 30.7672 175.2318 42 R 4.6567 8.8499 121.1300 54.6039 34.1794 174.1285 43 L 5.2896 8.5800 123.4145 53.1347 44.8771 175.4816 44 I 5.0916 8.6628 122.2458 59.6058 41.5447 174.3112 45 F 5.0876 8.9519 127.5906 56.8820 42.6979 174.4287 46 A 3.4774 9.1777 129.7562 53.1746 15.8473 177.3344 47 G 3.8563 8.1716 104.6822 46.7040 0.0000 173.6952 48 K 4.4876 7.9556 120.0022 54.1520 33.9726 175.0712 49 Q 4.5003 8.5241 125.2171 55.6447 29.7281 174.8445 50 L 3.9269 8.4525 127.6624 53.8835 42.8091 176.3508 51 E 4.3370 9.4763 124.5036 55.6884 30.6769 177.2093 52 D 4.3984 9.2672 124.6320 57.7715 40.9766 179.0334 53 G 3.8159 8.0419 103.9797 46.6641 0.0000 173.3673 54 R 4.6074 8.0110 119.9764 55.2875 32.4145 175.7283 55 T 4.9180 8.9185 111.6342 60.3007 71.3907 175.8319 56 L 4.0251 8.6357 121.9904 58.0818 42.0306 180.4653 57 S 4.1570 8.4209 113.5576 61.1596 63.1431 176.1604 58 D 4.1860 7.8063 120.3568 56.6905 40.5250 176.7094 59 Y 4.6912 7.2188 114.0756 56.9768 38.1273 175.0884 60 N 4.2218 8.0791 115.8824 54.2206 36.7713 174.4219 61 I 3.4842 7.7304 119.2509 60.5609 37.7609 175.6854 62 Q 4.7150 8.3359 124.1291 53.2312 31.2697 174.6146 63 K 4.1296 8.3681 116.6337 58.8361 32.5217 176.7020 64 E 4.0165 9.3974 120.8082 56.7863 27.9236 174.8809 65 S 4.5531 7.9366 115.8497 59.0404 64.2470 173.1685 66 T 5.1271 8.7372 119.0278 62.0439 70.2429 173.8047 67 L 5.1273 9.1601 126.3898 53.3167 45.4121 174.9789 68 H 5.2954 9.2874 118.8000 54.0153 31.6572 172.9926 69 L 5.0039 8.8582 125.7434 53.7461 43.2456 175.8176 70 V 4.6403 8.9897 119.2054 59.5534 35.7020 174.3696 71 L 5.3025 8.3931 120.3588 53.1199 45.6870 176.8811 72 R 4.4177 9.0628 121.1226 54.8817 31.9368 175.2851 73 L 4.4927 8.6571 124.4157 54.2312 42.4321 177.3492 74 R 4.2424 7.9384 123.4134 56.3810 29.3815 175.7249 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 M 8.16 4.45 0.00 2.06 2.21 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.62 0.00 2 Q 8.24 4.88 0.00 2.08 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.74 0.00 0.00 0.00 0.00 0.00 1.67 2.12 0.00 3 I 9.15 4.65 1.73 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.93 0.76 0.00 0.00 4 F 8.86 5.43 0.00 3.05 2.92 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 0.00 0.00 0.00 5 V 9.10 4.87 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 0.99 0.00 0.00 0.93 0.00 0.00 6 K 9.12 4.98 0.00 1.68 1.72 0.00 1.65 0.00 0.00 1.72 0.00 0.00 2.87 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.37 7.81 7 T 8.42 4.85 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 1.23 0.00 0.00 8 L 8.65 4.10 0.00 1.67 1.78 0.93 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.60 4.20 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 10 G 8.09 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 11 K 7.66 4.41 0.00 1.74 1.74 0.00 1.62 0.00 0.00 1.83 0.00 0.00 2.88 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.52 1.47 7.81 12 T 8.32 5.02 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 1.22 0.00 0.00 13 I 9.07 4.44 1.90 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 1.25 0.87 0.92 0.00 0.00 14 T 8.54 4.97 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 1.10 0.00 0.00 15 L 8.72 4.78 0.00 1.43 1.44 0.89 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.68 4.85 0.00 1.89 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.34 0.00 17 V 8.78 4.68 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 0.68 0.00 0.00 0.85 0.00 0.00 18 E 9.51 4.52 0.00 1.94 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 2.23 2.25 0.00 19 P 0.00 4.13 0.00 2.15 2.10 0.00 3.56 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.10 0.00 20 S 7.82 4.58 0.00 3.84 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 21 D 8.02 4.46 0.00 2.88 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 T 8.20 4.69 4.46 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 0.00 0.00 0.00 1.21 0.00 0.00 23 I 8.45 3.74 2.19 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.12 0.91 0.00 0.00 24 E 8.29 3.93 0.00 2.18 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 2.31 2.36 0.00 25 N 8.08 4.34 0.00 3.00 2.84 0.00 0.00 6.64 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 26 V 7.69 3.59 2.23 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 1.08 0.00 0.00 0.96 0.00 0.00 27 K 8.64 4.29 0.00 1.98 1.85 0.00 1.74 0.00 0.00 1.92 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.59 1.52 7.81 28 A 8.04 3.98 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 29 K 7.87 3.97 0.00 2.01 1.85 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.66 7.81 30 I 7.93 3.76 2.16 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.69 0.96 0.00 0.00 31 Q 8.26 4.28 0.00 2.23 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.33 0.00 32 D 7.79 4.34 0.00 2.87 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 33 K 7.98 4.13 0.00 1.90 1.87 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.58 1.62 7.81 34 E 8.47 4.58 0.00 1.87 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 0.00 2.26 2.44 0.00 35 G 8.19 3.84 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 0.00 0.00 0.00 36 I 7.54 4.30 1.87 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 1.35 0.90 0.91 0.00 0.00 37 A 8.67 4.11 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 38 A 9.15 4.03 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 39 D 8.07 4.57 0.00 2.80 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 Q 7.96 4.72 0.00 2.15 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.97 0.00 0.00 0.00 0.00 0.00 2.36 2.15 0.00 41 Q 7.91 4.68 0.00 2.20 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.76 0.00 0.00 0.00 0.00 0.00 2.35 2.57 0.00 42 R 8.85 4.66 0.00 1.80 1.77 0.00 3.25 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.73 0.00 43 L 8.58 5.29 0.00 1.55 1.53 0.91 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.66 5.09 1.91 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.69 0.92 0.00 0.00 45 F 8.95 5.09 0.00 2.99 2.77 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 46 A 9.18 3.48 0.50 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 0.00 0.00 47 G 8.17 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 0.00 0.00 0.00 48 K 7.96 4.49 0.00 1.89 1.72 0.00 1.88 0.00 0.00 1.67 0.00 0.00 3.05 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.40 1.50 7.81 49 Q 8.52 4.50 0.00 2.05 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.87 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 50 L 8.45 3.93 0.00 1.41 1.26 0.79 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 51 E 9.48 4.34 0.00 2.07 1.94 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 2.39 2.46 0.00 52 D 9.27 4.40 0.00 2.76 2.77 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 53 G 8.04 3.82 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 0.00 0.00 0.00 54 R 8.01 4.61 0.00 2.06 1.65 0.00 3.07 0.00 0.00 3.30 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.71 0.00 55 T 8.92 4.92 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 1.25 0.00 0.00 56 L 8.64 4.03 0.00 1.82 1.69 0.86 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.42 4.16 0.00 3.99 4.17 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 0.00 0.00 0.00 58 D 7.81 4.19 0.00 2.62 2.30 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 59 Y 7.22 4.69 0.00 3.09 3.07 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 0.00 0.00 0.00 60 N 8.08 4.22 0.00 3.01 3.02 0.00 0.00 6.92 7.13 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 61 I 7.73 3.48 1.79 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.17 0.54 0.00 0.00 62 Q 8.34 4.72 0.00 2.21 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.95 0.00 0.00 0.00 0.00 0.00 2.28 2.29 0.00 63 K 8.37 4.13 0.00 1.86 1.86 0.00 1.68 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.42 1.50 7.81 64 E 9.40 4.02 0.00 2.24 2.41 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 2.28 2.51 0.00 65 S 7.94 4.55 0.00 3.71 3.69 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 66 T 8.74 5.13 4.35 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 1.19 0.00 0.00 67 L 9.16 5.13 0.00 1.70 1.56 0.77 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 68 H 9.29 5.30 0.00 3.10 3.21 0.00 5.79 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.86 5.00 0.00 1.61 1.72 0.93 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.99 4.64 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 0.80 0.00 0.00 0.98 0.00 0.00 71 L 8.39 5.30 0.00 1.48 1.53 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 72 R 9.06 4.42 0.00 1.86 1.90 0.00 3.12 0.00 0.00 3.17 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.62 0.00 73 L 8.66 4.49 0.00 1.67 1.67 0.92 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 74 R 7.94 4.24 0.00 1.90 2.19 0.00 3.40 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.52 0.00