NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.3942 8.3344 115.2898 58.5346 63.4845 173.0020 3 I 4.4159 7.2790 118.7343 56.8497 40.6750 174.4278 4 S 3.7561 9.0140 122.2051 60.3386 64.0472 173.6842 5 A 3.9723 7.2386 124.2719 52.7972 18.0092 177.6246 6 R 4.0818 8.6020 122.1117 58.0868 30.9574 176.2642 7 N 4.8509 7.9834 116.2959 51.7230 40.3331 174.4346 8 Q 4.8608 8.6470 122.7132 54.3014 32.0223 174.5533 9 L 4.6211 8.6343 125.4689 52.5167 43.4606 176.7300 10 K 4.4153 8.7924 124.0299 56.8484 33.1995 176.7427 11 G 4.1732 8.2399 109.1358 45.9360 0.0000 171.7661 12 K 5.2141 8.1517 118.1243 54.6359 35.9333 175.9363 13 V 4.1218 9.0897 124.0590 63.4427 31.7961 176.4771 14 V 4.5207 8.6941 120.9869 61.2985 33.6931 176.3823 15 G 4.2313 7.8896 107.3796 44.2419 0.0000 171.6648 16 L 5.0032 8.4812 125.6666 53.5250 45.0962 174.8839 17 K 4.5326 9.0748 127.7440 54.6520 35.2350 174.8200 18 K 4.5130 8.8713 127.4391 55.2161 32.9520 177.1015 19 G 4.1524 8.4615 115.9697 45.5993 0.0000 174.1917 20 V 4.0135 8.5301 119.0295 64.1832 32.8639 177.2044 21 V 4.0840 7.7759 118.1228 63.6230 32.9514 174.5660 22 T 5.0837 7.4494 108.2689 60.3073 72.3006 172.6034 23 A 4.9580 8.9772 121.2810 50.9107 23.2622 174.7948 24 E 4.9930 9.4982 121.6646 54.4439 32.2852 175.0150 25 V 4.8328 9.0424 126.3667 61.2330 34.9065 174.0188 26 V 4.7292 8.5108 128.7083 61.4471 33.1282 174.3805 27 L 5.1852 9.2662 128.7019 53.0243 44.9985 175.0580 28 E 4.9807 9.0418 124.1945 54.9283 31.3849 175.0494 29 I 5.0890 8.4150 120.6500 58.1789 41.4089 174.3646 30 A 3.9672 8.5232 123.5475 54.4050 18.1164 177.8711 31 G 3.7750 9.0274 110.0739 45.3621 0.0000 175.1319 32 G 3.9581 8.0533 106.1381 45.0681 0.0000 174.2543 33 N 4.3337 7.5532 117.7399 53.9725 39.7278 173.9677 34 K 4.8285 8.6250 122.5053 55.1812 33.7114 175.7525 35 I 4.4976 8.7790 126.6623 59.7912 39.6166 174.6935 36 T 4.9690 8.5440 123.1711 61.7206 71.0179 173.4249 37 S 4.6797 9.5776 121.7626 56.4601 65.3768 172.4568 38 I 4.9633 8.5153 128.1329 59.9382 38.7125 174.4293 39 I 4.8662 8.3658 122.3565 58.9906 41.5492 174.6039 40 S 4.7101 8.5326 115.7411 58.0777 64.2453 174.3981 41 L 3.9143 8.8769 126.1759 58.6609 41.8119 179.0005 42 D 4.4129 8.2009 118.0362 57.8613 40.7567 179.1498 43 S 4.1430 8.0747 115.1621 61.7045 62.8021 177.1849 44 V 3.6443 7.7018 114.6314 64.3886 31.3432 178.5742 45 E 3.9448 8.1008 117.8987 59.5793 29.1520 179.3107 46 E 4.0470 7.9122 117.1507 58.9961 29.6138 178.5222 47 L 4.3372 8.0812 116.4217 53.7584 42.8368 176.6440 48 G 3.9797 7.6454 107.1215 46.3843 0.0000 174.3762 49 V 3.8483 7.6328 116.7842 62.4758 32.8014 175.0642 50 K 4.6585 8.1793 124.0822 54.5457 36.1646 175.2428 51 E 4.1956 8.6210 120.5149 58.5336 29.6544 177.9545 52 G 3.9380 9.1790 112.5082 44.8945 0.0000 173.6779 53 A 4.1884 7.9473 122.3228 52.0142 19.6836 176.3636 54 E 4.8102 8.6480 120.9914 55.5517 30.8025 175.7088 55 L 4.9129 8.9272 123.3213 53.5831 47.1409 175.0055 56 T 5.0527 8.3923 115.7499 61.8361 71.0868 174.1069 57 A 4.4767 8.6892 127.9678 51.2742 20.4052 176.3507 58 V 4.9667 8.2800 120.6440 61.0911 34.7210 174.8984 59 V 4.4969 8.6070 126.3992 60.7587 35.1482 174.6036 60 K 4.2889 8.6595 128.6048 56.0709 33.1340 177.5220 61 S 4.1349 8.9292 122.0747 62.1307 62.8474 176.4089 62 T 4.0970 7.8719 107.3002 63.2238 68.5902 174.2336 63 D 4.6346 8.1103 121.3249 54.0986 41.4261 176.1275 64 V 4.0981 7.6304 120.4917 61.5176 31.6455 175.3166 65 M 4.4486 8.3393 126.9202 54.3188 33.3704 175.6474 66 I 4.3859 8.0775 120.7964 59.4646 39.2964 174.9719 67 L 4.5122 8.5347 127.1136 53.1995 43.4327 175.8036 68 A 4.3438 8.5324 127.6617 52.2985 19.2095 175.9120 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 S 8.33 4.39 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 3 I 7.28 4.42 1.87 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 1.47 1.44 0.94 0.00 0.00 4 S 9.01 3.76 0.00 4.02 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 5 A 7.24 3.97 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 R 8.60 4.08 0.00 1.81 2.00 0.00 3.19 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.74 0.00 7 N 7.98 4.85 0.00 2.77 2.74 0.00 0.00 6.57 9.10 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 8 Q 8.65 4.86 0.00 1.87 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 6.82 0.00 0.00 0.00 0.00 0.00 2.25 2.36 0.00 9 L 8.63 4.62 0.00 1.59 1.59 0.92 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 10 K 8.79 4.42 0.00 1.64 1.74 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.39 7.81 11 G 8.24 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 0.00 0.00 0.00 12 K 8.15 5.21 0.00 1.83 1.88 0.00 1.31 0.00 0.00 1.57 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.30 1.34 7.81 13 V 9.09 4.12 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 0.80 0.00 0.00 1.02 0.00 0.00 14 V 8.69 4.52 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 0.76 0.00 0.00 0.98 0.00 0.00 15 G 7.89 4.23 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 0.00 16 L 8.48 5.00 0.00 1.59 1.60 0.98 0.55 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 17 K 9.07 4.53 0.00 1.83 1.60 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.83 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.32 1.39 7.81 18 K 8.87 4.51 0.00 1.68 1.72 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.79 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.44 7.81 19 G 8.46 4.15 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 0.00 0.00 0.00 0.00 0.00 0.00 20 V 8.53 4.01 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 0.82 0.00 0.00 0.93 0.00 0.00 21 V 7.78 4.08 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 1.06 0.00 0.00 0.93 0.00 0.00 22 T 7.45 5.08 4.34 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 1.21 0.00 0.00 23 A 8.98 4.96 1.20 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 0.00 0.00 24 E 9.50 4.99 0.00 2.00 1.79 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 2.21 2.22 0.00 25 V 9.04 4.83 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 0.89 0.00 0.00 0.93 0.00 0.00 26 V 8.51 4.73 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.93 0.00 0.00 27 L 9.27 5.19 0.00 1.58 1.53 0.92 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 28 E 9.04 4.98 0.00 2.02 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 2.23 2.23 0.00 29 I 8.41 5.09 1.94 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 1.26 0.60 0.95 0.00 0.00 30 A 8.52 3.97 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 31 G 9.03 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 0.00 0.00 0.00 32 G 8.05 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 33 N 7.55 4.33 0.00 2.78 2.78 0.00 0.00 6.88 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 34 K 8.62 4.83 0.00 1.63 1.74 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.49 1.45 7.81 35 I 8.78 4.50 1.87 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 1.23 1.27 0.91 0.00 0.00 36 T 8.54 4.97 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 37 S 9.58 4.68 0.00 3.80 3.81 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 38 I 8.52 4.96 1.87 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 1.40 0.75 0.91 0.00 0.00 39 I 8.37 4.87 1.87 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 1.28 1.34 0.91 0.00 0.00 40 S 8.53 4.71 0.00 4.02 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 41 L 8.88 3.91 0.00 1.89 1.72 0.92 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 42 D 8.20 4.41 0.00 2.72 2.72 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 43 S 8.07 4.14 0.00 3.98 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 44 V 7.70 3.64 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 0.79 0.00 0.00 0.99 0.00 0.00 45 E 8.10 3.94 0.00 2.05 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 2.33 2.35 0.00 46 E 7.91 4.05 0.00 1.97 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 0.00 2.34 2.46 0.00 47 L 8.08 4.34 0.00 1.69 1.70 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 48 G 7.65 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 49 V 7.63 3.85 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 0.79 0.00 0.00 0.98 0.00 0.00 50 K 8.18 4.66 0.00 1.80 1.62 0.00 1.74 0.00 0.00 1.82 0.00 0.00 2.87 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.43 1.62 7.81 51 E 8.62 4.20 0.00 1.95 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 2.32 2.27 0.00 52 G 9.18 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 53 A 7.95 4.19 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 54 E 8.65 4.81 0.00 1.86 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.33 0.00 55 L 8.93 4.91 0.00 1.53 1.50 0.92 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 56 T 8.39 5.05 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 1.25 0.00 0.00 57 A 8.69 4.48 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 58 V 8.28 4.97 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 0.86 0.00 0.00 0.93 0.00 0.00 59 V 8.61 4.50 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 0.88 0.00 0.00 0.93 0.00 0.00 60 K 8.66 4.29 0.00 1.83 1.82 0.00 1.79 0.00 0.00 1.82 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.59 1.46 7.81 61 S 8.93 4.13 0.00 3.92 3.92 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 62 T 7.87 4.10 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 63 D 8.11 4.63 0.00 2.80 2.72 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 64 V 7.63 4.10 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 0.78 0.00 0.00 0.98 0.00 0.00 65 M 8.34 4.45 0.00 2.04 1.97 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 2.56 2.55 0.00 66 I 8.08 4.39 1.87 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 1.30 0.87 0.91 0.00 0.00 67 L 8.53 4.51 0.00 1.56 1.55 0.92 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 68 A 8.53 4.34 1.22 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 0.00 0.00 0.00