NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.2874 8.3349 115.2921 57.6671 64.1902 173.4776 3 R 3.6205 8.1632 113.6381 56.3247 26.9137 171.3261 4 V 4.3996 7.3044 117.6756 60.7962 35.3885 175.0041 5 C 3.7030 8.2627 126.6698 60.5153 31.6573 174.5318 6 Q 4.1636 7.8798 122.7445 56.2927 29.1914 174.3713 7 V 4.0747 7.5938 114.7939 62.7267 32.4146 176.5160 8 T 4.5334 7.5806 107.4085 59.9850 69.7076 173.5581 9 G 3.8991 8.1339 108.3404 46.7076 0.0000 175.0406 10 K 4.1671 7.7366 120.8785 55.0066 31.2839 176.0253 11 R 4.5921 8.0645 125.1079 54.1141 31.3135 174.7861 12 P 4.7078 0.0000 0.0000 61.7792 31.4549 176.6080 13 V 4.2530 8.2866 117.1575 60.9809 33.4669 175.2372 14 T 4.8256 8.0861 112.0685 60.8064 71.6811 173.6127 15 G 4.3402 7.8471 106.2315 46.4548 0.0000 171.4690 16 N 5.5061 8.8337 116.4449 51.4632 40.6896 175.2271 17 N 4.2467 9.2284 120.7294 54.1996 39.1521 175.7126 18 R 3.7450 7.8675 116.3714 56.9455 28.4527 174.4283 19 S 4.2944 7.5372 113.0572 58.1054 63.9907 173.2194 20 H 4.1902 8.5132 119.9014 57.2325 29.7466 175.0088 21 A 3.6208 8.6731 122.5602 51.6643 17.1126 177.1322 22 L 3.5393 7.4846 114.3310 55.3930 38.7403 174.0760 23 N 4.9499 7.6861 112.1158 51.1330 40.2829 176.7794 24 A 4.1722 8.7676 126.4725 52.5579 19.7059 177.1784 25 T 4.1299 8.3615 105.1479 60.5564 70.6191 171.8734 26 K 4.3808 8.8873 127.0360 57.9265 32.0945 175.8809 27 R 4.3325 8.8479 120.6984 56.9068 31.4810 173.1346 28 R 4.1135 7.9146 122.3711 55.0717 30.5526 175.1899 29 F 4.8501 9.4230 120.9242 55.5344 40.9684 174.8298 30 L 4.8320 8.1467 122.8422 52.9427 43.0199 174.5078 31 P 4.3436 0.0000 0.0000 62.7661 31.2031 175.2476 32 N 4.3611 8.0930 117.6617 52.7530 39.4569 172.1616 33 L 3.6664 7.6161 123.5100 55.4977 41.5383 175.0796 34 H 4.5813 9.1246 114.2747 55.8148 32.8386 174.1495 35 S 4.1955 7.9978 109.7911 58.6045 60.9708 170.8204 36 H 4.5087 8.1654 126.2059 55.3849 32.2102 173.5984 37 R 4.1757 7.3336 123.0300 54.9604 30.2208 175.1194 38 F 5.0179 9.1822 126.0923 56.0340 41.6712 175.3473 39 W 5.5015 9.1796 132.4466 55.6255 29.7491 175.1206 40 V 3.3267 8.1836 120.0786 62.5855 31.5044 175.8245 41 E 2.6716 6.7559 123.5588 56.5400 29.0239 175.9717 42 S 3.9677 7.7032 112.2939 61.2613 62.6635 174.8800 43 E 4.0343 7.8898 119.1987 55.2099 29.6927 176.0175 44 K 3.8931 7.6338 117.6035 57.7320 31.4083 174.0707 45 R 4.7967 6.7768 115.0895 53.4434 33.4132 174.9305 46 F 6.1055 8.4682 126.1019 56.6663 37.1666 175.9028 47 V 4.0821 7.9392 115.1307 61.8611 33.3872 176.5009 48 T 5.1619 8.6431 118.1136 60.4022 69.8938 172.7716 49 L 5.0063 8.8502 127.1207 52.2850 46.2832 175.9619 50 R 4.5423 8.4000 118.2201 56.2729 30.6463 176.8842 51 V 3.9272 7.9996 115.6662 63.0164 32.3088 174.4866 52 S 5.0592 8.2876 118.1843 55.6676 65.8061 173.1580 53 A 4.0199 8.4193 124.1846 53.5335 19.0000 177.2846 54 K 4.2437 9.1122 125.7585 57.8882 31.8676 178.5975 55 G 3.6608 7.7771 103.9710 47.3786 0.0000 174.7450 56 M 4.1932 7.9909 120.3928 58.3344 32.5187 178.2896 57 R 4.0328 8.2229 118.4000 58.6234 30.0178 179.2231 58 V 3.6321 7.2272 117.9547 66.0853 31.6058 177.8223 59 I 3.5378 7.7166 118.9916 64.6086 36.7517 177.2645 60 D 4.7519 7.7214 115.5606 54.9327 40.7384 176.9712 61 K 4.3564 7.2854 118.4219 57.7072 33.7934 177.3810 62 K 4.3239 9.1885 118.0877 56.2064 32.7812 176.4876 63 G 4.9698 6.6662 113.5073 44.8611 0.0000 173.5259 64 I 3.2189 7.9248 125.9619 63.7977 37.5361 177.4963 65 D 4.4542 7.8126 118.9724 56.0466 42.0894 178.7987 66 T 3.8472 7.5938 115.7898 66.2355 68.4968 176.8579 67 V 3.7078 8.6162 122.5506 65.5522 31.4601 178.2171 68 L 3.6580 7.4692 118.2246 56.8940 40.7926 179.3819 69 A 3.9082 7.9361 121.6588 56.9366 18.5323 178.0109 70 E 4.2409 8.1412 117.2508 57.1148 32.2721 175.1635 71 L 3.8621 8.6338 123.2228 57.5690 41.8034 177.7773 72 R 3.8466 7.5708 114.2099 58.3819 29.3691 178.6932 73 A 4.0805 7.2032 121.4882 55.1638 18.6566 179.5577 74 R 4.0831 7.8617 112.0898 57.6017 29.6986 176.9861 75 G 3.8147 7.6503 106.3894 45.9294 0.0000 173.3028 76 E 4.5233 8.4564 121.5471 54.1281 32.0686 178.8622 77 K 4.4476 7.9192 122.6930 55.0600 31.9509 176.3231 78 Y 4.0101 8.9165 119.0414 57.9357 39.5151 168.2424 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 4.29 0.00 3.86 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 3 R 8.16 3.62 0.00 2.06 1.96 0.00 3.21 0.00 0.00 3.19 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.68 0.00 4 V 7.30 4.40 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 1.02 0.00 0.00 1.00 0.00 0.00 5 C 8.26 3.70 0.00 3.01 3.18 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 6 Q 7.88 4.16 0.00 2.29 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.64 0.00 0.00 0.00 0.00 0.00 2.29 2.30 0.00 7 V 7.59 4.07 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 0.90 0.00 0.00 0.86 0.00 0.00 8 T 7.58 4.53 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 1.20 0.00 0.00 9 G 8.13 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 10 K 7.74 4.17 0.00 1.80 1.74 0.00 1.72 0.00 0.00 1.81 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.45 7.81 11 R 8.06 4.59 0.00 1.85 1.87 0.00 3.26 0.00 0.00 3.28 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.78 0.00 12 P 0.00 4.71 0.00 2.21 2.11 0.00 3.38 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 13 V 8.29 4.25 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 0.77 0.00 0.00 0.98 0.00 0.00 14 T 8.09 4.83 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 1.25 0.00 0.00 15 G 7.85 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 0.00 0.00 0.00 0.00 16 N 8.83 5.51 0.00 2.62 2.72 0.00 0.00 6.81 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 N 9.23 4.25 0.00 2.60 2.86 0.00 0.00 6.98 7.66 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 18 R 7.87 3.75 0.00 1.90 1.95 0.00 3.31 0.00 0.00 3.28 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.66 0.00 19 S 7.54 4.29 0.00 4.05 4.03 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 20 H 8.51 4.19 0.00 3.12 3.29 0.00 6.04 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 A 8.67 3.62 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 22 L 7.48 3.54 0.00 1.83 1.74 0.91 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 23 N 7.69 4.95 0.00 2.57 2.75 0.00 0.00 6.80 7.23 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 24 A 8.77 4.17 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 25 T 8.36 4.13 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 1.20 0.00 0.00 26 K 8.89 4.38 0.00 1.64 1.82 0.00 1.89 0.00 0.00 1.76 0.00 0.00 2.82 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.45 1.42 7.81 27 R 8.85 4.33 0.00 1.41 1.95 0.00 2.60 0.00 0.00 2.34 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.52 0.00 28 R 7.91 4.11 0.00 2.22 2.09 0.00 2.99 0.00 0.00 3.20 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.64 0.00 29 F 9.42 4.85 0.00 3.04 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 30 L 8.15 4.83 0.00 1.72 1.62 0.93 0.66 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 31 P 0.00 4.34 0.00 2.07 2.09 0.00 3.69 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.11 0.00 32 N 8.09 4.36 0.00 2.70 2.80 0.00 0.00 7.04 7.78 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 33 L 7.62 3.67 0.00 1.74 1.61 0.94 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 34 H 9.12 4.58 0.00 3.15 3.24 0.00 5.80 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.00 4.20 0.00 4.08 3.95 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 0.00 0.00 0.00 36 H 8.17 4.51 0.00 3.14 2.83 0.00 5.84 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 R 7.33 4.18 0.00 1.42 1.29 0.00 2.21 0.00 0.00 3.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.19 0.00 38 F 9.18 5.02 0.00 3.29 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 39 W 9.18 5.50 0.00 3.48 3.15 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 40 V 8.18 3.33 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 0.70 0.00 0.00 0.67 0.00 0.00 41 E 6.76 2.67 0.00 1.85 1.73 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 2.39 2.25 0.00 42 S 7.70 3.97 0.00 3.94 3.90 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 0.00 0.00 0.00 43 E 7.89 4.03 0.00 1.98 1.86 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 2.33 2.27 0.00 44 K 7.63 3.89 0.00 1.75 1.80 0.00 1.75 0.00 0.00 1.58 0.00 0.00 3.10 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.55 7.81 45 R 6.78 4.80 0.00 1.79 1.74 0.00 3.19 0.00 0.00 3.14 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 46 F 8.47 6.11 0.00 3.31 2.99 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 47 V 7.94 4.08 2.38 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 0.93 0.00 0.00 1.13 0.00 0.00 48 T 8.64 5.16 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 1.26 0.00 0.00 49 L 8.85 5.01 0.00 1.84 1.60 0.83 0.82 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 50 R 8.40 4.54 0.00 1.79 1.95 0.00 3.33 0.00 0.00 3.18 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.69 0.00 51 V 8.00 3.93 2.34 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 1.09 0.00 0.00 1.25 0.00 0.00 52 S 8.29 5.06 0.00 4.02 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 53 A 8.42 4.02 1.31 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 0.00 0.00 54 K 9.11 4.24 0.00 1.95 1.93 0.00 1.75 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.39 1.37 7.81 55 G 7.78 3.66 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 0.00 0.00 0.00 56 M 7.99 4.19 0.00 2.13 2.14 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 2.91 2.79 0.00 57 R 8.22 4.03 0.00 2.11 1.97 0.00 3.19 0.00 0.00 3.11 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 58 V 7.23 3.63 2.27 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 0.99 0.00 0.00 0.96 0.00 0.00 59 I 7.72 3.54 1.70 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.86 0.47 0.00 0.00 60 D 7.72 4.75 0.00 2.75 2.74 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 0.00 0.00 0.00 61 K 7.29 4.36 0.00 1.80 2.03 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.10 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.33 1.46 7.81 62 K 9.19 4.32 0.00 1.64 1.79 0.00 1.85 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.40 1.41 7.81 63 G 6.67 4.97 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 0.00 0.00 0.00 0.00 64 I 7.92 3.22 1.79 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 1.44 0.62 0.76 0.00 0.00 65 D 7.81 4.45 0.00 2.63 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 7.59 3.85 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 1.17 0.00 0.00 67 V 8.62 3.71 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 1.00 0.00 0.00 0.82 0.00 0.00 68 L 7.47 3.66 0.00 1.41 1.05 0.60 -0.18 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 69 A 7.94 3.91 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.14 4.24 0.00 2.06 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 2.29 2.61 0.00 71 L 8.63 3.86 0.00 1.84 1.64 1.03 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 72 R 7.57 3.85 0.00 2.37 2.54 0.00 2.90 0.00 0.00 3.34 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.71 0.00 73 A 7.20 4.08 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.86 4.08 0.00 1.98 2.08 0.00 3.30 0.00 0.00 3.23 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.71 0.00 75 G 7.65 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 76 E 8.46 4.52 0.00 1.95 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 2.35 2.28 0.00 77 K 7.92 4.45 0.00 1.94 1.03 0.00 1.81 0.00 0.00 1.68 0.00 0.00 3.08 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.52 7.81 78 Y 8.92 4.01 0.00 3.08 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