NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.1903 8.2649 123.5827 51.2290 19.3816 179.2876 2 K 3.5949 9.4388 112.9162 57.0888 29.1280 171.5197 3 T 4.4936 7.9558 113.7665 61.9049 72.4763 172.9850 4 I 3.9811 7.6893 120.2118 61.4156 37.7273 171.8250 5 K 3.9856 9.0412 133.9658 55.8679 28.7123 175.1476 6 I 4.6683 9.3190 117.7484 59.2167 40.7468 174.0468 7 T 4.8394 8.2283 120.2177 59.9014 69.5348 173.4151 8 Q 4.1586 8.7779 129.8114 57.6529 29.9493 178.0527 9 T 3.9447 8.8921 120.6623 62.1068 65.9366 176.7573 10 R 4.5264 8.6686 117.7750 55.9958 31.7644 171.1889 11 S 4.5109 8.1106 114.4268 57.0718 66.9575 176.1725 12 A 4.5171 8.4957 135.0000 52.3960 17.5022 177.9698 13 I 4.4423 8.3862 120.1160 61.7563 37.8390 174.8209 14 G 4.2530 8.4082 111.8672 46.6420 0.0000 173.2020 15 R 4.1631 7.6994 117.8449 56.0513 30.5929 174.1609 16 L 4.6212 8.0612 114.5692 54.9742 44.2801 176.4450 17 P 4.7719 0.0000 0.0000 63.3759 32.8848 177.0549 18 K 4.0719 7.9483 117.8178 59.1362 31.8524 178.4448 19 H 4.3744 8.1676 116.5656 58.6680 28.6434 177.6165 20 K 3.9980 7.9795 120.5544 59.2485 31.6252 179.2079 21 A 4.1576 8.0551 120.8986 53.2747 18.2575 178.3504 22 T 4.3627 7.9946 103.7711 61.6440 69.3110 175.8401 23 L 4.8011 9.0452 119.8803 56.8945 42.5490 179.7675 24 L 4.0677 8.2038 116.3465 56.2982 41.4798 177.2159 25 G 4.2206 7.2648 105.7517 44.6386 0.0000 174.3908 26 L 3.9429 6.8214 122.0045 56.5126 42.6078 178.8764 27 G 4.1872 7.5105 106.0866 46.1656 0.0000 173.2352 28 L 4.8128 7.9921 118.2166 52.5523 44.0989 176.3292 29 R 4.7794 8.2848 121.0634 55.3085 33.4792 174.0767 30 R 4.0016 8.7680 124.7894 54.9633 29.8592 175.8705 31 I 3.9112 7.9059 113.1240 61.4004 38.4204 177.7928 32 G 4.1936 8.7282 109.4045 44.5665 0.0000 173.7394 33 H 4.2255 8.4209 120.9874 57.0025 30.5580 174.1996 34 T 4.9256 8.5296 120.4099 60.5460 69.1465 173.5859 35 V 4.5872 9.2416 127.6487 60.8769 35.5286 174.0932 36 E 4.9659 8.8068 123.9345 54.8720 31.3688 175.2049 37 R 4.5244 8.2792 124.9992 54.1642 33.1992 174.9123 38 E 4.5390 8.6518 121.5456 56.5209 30.5787 177.1406 39 D 4.9413 8.2702 117.3028 52.8840 38.6407 174.5927 40 T 4.6796 7.1385 114.9148 59.6895 71.4761 172.6001 41 P 4.1593 0.0000 0.0000 65.8682 30.9490 178.7627 42 A 3.9579 8.0679 118.9806 55.6718 18.1752 179.5926 43 I 3.6708 7.4864 118.1346 64.0380 37.1341 178.3728 44 R 3.9884 8.2193 117.4754 59.5559 28.2517 178.6926 45 G 3.8143 7.6312 105.7882 48.2114 0.0000 175.5265 46 M 4.1690 7.9964 119.7280 58.3649 31.9583 178.7739 47 I 3.8472 7.7251 119.3406 63.9191 37.1490 177.7046 48 N 4.2764 8.3555 118.1576 56.8106 38.5645 176.4289 49 A 4.0484 7.1968 120.8798 54.9522 18.6855 179.1671 50 V 4.2845 7.4551 109.0380 61.9784 32.6733 178.6293 51 S 3.5678 8.6092 107.0167 62.4314 62.3667 174.6714 52 F 4.0286 6.3664 128.6773 60.7477 39.6620 175.2634 53 M 3.9679 6.7710 120.3546 58.6068 32.1245 178.9171 54 V 3.8999 8.3438 121.7010 61.4537 32.9620 175.6838 55 K 4.4582 8.1957 118.1756 54.8010 34.4989 177.5302 56 V 4.1438 8.3324 122.4284 60.7479 34.5776 179.9143 57 E 3.2697 8.4393 116.3735 57.1314 29.4556 174.4890 58 E 4.2073 9.1740 127.5072 56.8455 29.7540 174.3068 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 A 8.26 4.19 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 0.00 0.00 0.00 0.00 0.00 2 K 9.44 3.59 0.00 1.92 1.80 0.00 1.74 0.00 0.00 1.67 0.00 0.00 2.90 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.37 1.49 7.81 3 T 7.96 4.49 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 1.24 0.00 0.00 4 I 7.69 3.98 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 1.42 1.88 0.91 0.00 0.00 5 K 9.04 3.99 0.00 1.95 1.91 0.00 1.74 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.31 1.40 7.81 6 I 9.32 4.67 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.19 0.97 0.00 0.00 7 T 8.23 4.84 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 1.22 0.00 0.00 8 Q 8.78 4.16 0.00 2.19 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.78 0.00 0.00 0.00 0.00 0.00 2.38 2.35 0.00 9 T 8.89 3.94 4.27 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 1.21 0.00 0.00 10 R 8.67 4.53 0.00 1.73 1.78 0.00 3.37 0.00 0.00 3.15 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.50 0.00 11 S 8.11 4.51 0.00 3.77 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 12 A 8.50 4.52 1.21 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 0.00 0.00 13 I 8.39 4.44 1.90 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.89 0.98 0.00 0.00 14 G 8.41 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 0.00 0.00 0.00 0.00 15 R 7.70 4.16 0.00 1.62 1.84 0.00 3.27 0.00 0.00 3.18 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.35 0.00 16 L 8.06 4.62 0.00 1.55 1.60 0.91 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 17 P 0.00 4.77 0.00 2.23 2.27 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 1.97 2.01 0.00 18 K 7.95 4.07 0.00 1.79 1.90 0.00 1.67 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.52 1.51 7.81 19 H 8.17 4.37 0.00 3.17 3.35 0.00 5.64 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 K 7.98 4.00 0.00 1.95 1.86 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.47 7.81 21 A 8.06 4.16 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 22 T 7.99 4.36 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 1.27 0.00 0.00 23 L 9.05 4.80 0.00 1.69 1.86 0.77 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 24 L 8.20 4.07 0.00 1.63 1.73 0.93 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 25 G 7.26 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 0.00 0.00 0.00 0.00 26 L 6.82 3.94 0.00 1.84 1.78 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 27 G 7.51 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 28 L 7.99 4.81 0.00 1.74 1.57 0.90 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 29 R 8.28 4.78 0.00 1.69 1.77 0.00 3.32 0.00 0.00 3.21 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.62 0.00 30 R 8.77 4.00 0.00 1.97 1.96 0.00 3.19 0.00 0.00 3.27 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.59 0.00 31 I 7.91 3.91 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 1.35 1.34 0.95 0.00 0.00 32 G 8.73 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 33 H 8.42 4.23 0.00 3.25 3.37 0.00 5.58 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 T 8.53 4.93 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 1.21 0.00 0.00 35 V 9.24 4.59 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 0.93 0.00 0.00 0.81 0.00 0.00 36 E 8.81 4.97 0.00 1.96 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 2.15 2.25 0.00 37 R 8.28 4.52 0.00 1.94 1.83 0.00 3.22 0.00 0.00 3.33 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.70 0.00 38 E 8.65 4.54 0.00 1.99 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 2.31 2.30 0.00 39 D 8.27 4.94 0.00 2.74 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.14 4.68 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 1.24 0.00 0.00 41 P 0.00 4.16 0.00 2.19 2.08 0.00 3.69 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.15 0.00 42 A 8.07 3.96 1.32 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 0.00 0.00 43 I 7.49 3.67 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 1.58 0.83 0.91 0.00 0.00 44 R 8.22 3.99 0.00 2.04 2.29 0.00 2.80 0.00 0.00 3.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.68 0.00 45 G 7.63 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 0.00 0.00 0.00 46 M 8.00 4.17 0.00 2.01 2.27 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.78 0.00 47 I 7.73 3.85 1.87 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 1.52 0.92 0.91 0.00 0.00 48 N 8.36 4.28 0.00 2.90 2.94 0.00 0.00 6.95 8.01 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 49 A 7.20 4.05 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 50 V 7.46 4.28 2.17 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 0.80 0.00 0.00 1.02 0.00 0.00 51 S 8.61 3.57 0.00 4.05 3.70 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 0.00 0.00 0.00 0.00 52 F 6.37 4.03 0.00 2.93 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 53 M 6.77 3.97 0.00 2.01 2.09 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.70 0.00 54 V 8.34 3.90 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 0.72 0.00 0.00 0.95 0.00 0.00 55 K 8.20 4.46 0.00 1.69 1.63 0.00 1.55 0.00 0.00 1.64 0.00 0.00 3.10 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.23 1.28 7.81 56 V 8.33 4.14 2.06 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 0.73 0.00 0.00 0.97 0.00 0.00 57 E 8.44 3.27 0.00 2.02 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 2.20 2.19 0.00 58 E 9.17 4.21 0.00 1.87 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 2.20 2.33 0.00