NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4624 8.1633 118.3250 55.2454 33.5486 173.8005 2 Q 4.7304 8.2041 118.3866 53.1654 30.8212 173.3611 3 I 4.5407 8.8403 116.3037 59.1280 42.4591 173.4089 4 F 5.4401 8.8413 120.3912 55.6493 42.6043 174.8607 5 V 4.7759 9.1252 122.3094 61.1372 34.1071 173.9562 6 K 4.9680 8.9791 130.7945 55.1559 33.9389 176.4648 7 T 4.6302 8.8255 118.3461 60.3515 70.2226 175.4316 8 L 4.2375 8.4125 120.5249 56.5069 41.5561 177.9696 9 T 4.4161 7.9202 107.7813 61.1344 69.1125 174.0456 10 G 4.0187 8.3477 111.2551 45.5176 0.0000 174.3531 11 K 3.8375 7.4926 121.0995 57.5774 32.9929 175.7582 12 T 5.0749 8.5140 123.9132 62.0715 70.5889 174.0911 13 I 4.6490 8.7218 126.1431 59.8393 40.6962 174.4432 14 T 5.0624 8.6667 123.0278 62.1857 70.1055 174.0611 15 L 4.8122 8.7068 125.6740 52.8115 45.7403 174.9976 16 E 4.8030 8.6302 122.4581 54.9579 30.5920 175.2904 17 V 4.7656 8.9317 119.6719 59.8658 36.2924 174.5613 18 E 4.7467 9.1951 121.1982 53.9704 32.1184 176.1231 19 P 4.1647 0.0000 0.0000 65.3025 31.6087 178.0754 20 S 4.5414 7.8685 110.2928 58.3734 63.7584 174.0063 21 D 4.4543 8.1619 123.7368 54.5724 41.3297 176.2200 22 T 4.6490 8.2233 113.9219 61.1750 71.4009 175.7179 23 I 3.7142 8.3808 123.1631 64.9531 37.0618 178.6884 24 E 4.0335 8.1363 118.8052 59.1057 29.3888 178.7701 25 N 4.2877 7.9672 116.3692 56.3923 38.6567 177.3979 26 V 3.5810 7.8165 119.4217 66.1285 31.4907 178.2252 27 K 4.4411 8.4767 119.1969 58.9390 31.8379 179.2694 28 A 3.9929 8.2536 121.1872 54.8958 18.3208 179.8681 29 K 3.9288 8.1703 117.2172 59.7313 32.1411 179.6520 30 I 3.7488 7.8144 120.1637 64.2151 36.9798 178.2179 31 Q 4.2786 8.2465 122.0410 58.8940 28.6756 178.2211 32 D 4.5329 8.0357 118.7382 56.9017 40.8468 178.3031 33 K 4.2614 7.8490 117.8017 57.9534 31.8082 177.9734 34 E 4.6345 8.7559 116.6695 54.9135 30.5278 177.4666 35 G 3.9254 8.2899 107.0239 45.9157 0.0000 173.4551 36 I 4.1227 7.0383 121.5696 59.3273 38.1040 173.9438 37 P 4.4219 0.0000 0.0000 61.7834 32.1271 175.4817 38 P 4.2313 0.0000 0.0000 65.8139 31.3862 178.1716 39 D 4.4774 8.0854 115.7623 55.5326 39.6085 176.5712 40 Q 4.6124 8.1838 118.1447 56.0946 30.4818 175.0816 41 Q 4.6766 7.9900 120.1194 54.8503 30.5458 174.8245 42 R 4.8296 9.0611 123.4630 54.3517 33.1830 174.8333 43 L 5.0686 8.4621 123.3409 53.1922 44.1282 175.1649 44 I 4.9771 8.5492 124.9715 59.5330 39.9049 174.6648 45 F 4.9982 9.1012 128.3456 57.2049 43.1390 174.1386 46 A 3.5022 9.0933 128.1439 53.0983 15.9132 177.9775 47 G 3.9571 8.4331 106.8591 46.5794 0.0000 174.3007 48 K 4.5976 7.7477 119.4048 54.0784 34.7831 175.0527 49 Q 4.5066 8.4946 124.3538 56.0465 29.6573 175.2743 50 L 3.9118 8.7940 127.4413 54.3199 42.7907 176.1051 51 E 4.6503 9.3570 123.3104 54.7315 31.0957 177.0422 52 D 4.4495 9.1922 123.5422 57.5422 41.2892 178.5842 53 G 3.7171 8.2624 107.0331 48.3954 0.0000 174.0903 54 R 4.3635 7.9492 119.2062 55.1774 31.0486 175.7033 55 T 4.9157 8.7672 110.2569 59.9779 70.9491 176.0682 56 L 4.1212 8.4400 121.8347 57.8700 41.8604 180.2766 57 S 4.1265 8.3587 113.4965 61.2808 63.2296 175.9831 58 D 4.2097 7.9523 120.4301 57.5488 40.4818 177.1899 59 Y 4.4944 7.3699 111.7575 57.1885 38.0382 174.8298 60 N 4.1126 7.9868 117.6265 54.5350 37.8673 174.4907 61 I 4.0630 7.8516 117.8860 60.1101 38.1243 176.0998 62 Q 4.6174 8.2005 124.2198 53.0616 31.2058 174.9517 63 K 4.0062 8.2848 117.0162 58.7336 32.4738 176.4432 64 E 3.6294 9.2457 121.1797 56.5420 27.8741 174.6563 65 S 4.4247 7.9342 115.9324 59.7268 64.1212 173.4370 66 T 5.0591 8.7271 120.1441 62.2926 69.7170 174.4776 67 L 4.7922 9.1175 127.0259 54.0925 44.4857 175.1674 68 H 5.2690 9.0022 117.9475 54.0394 31.5293 173.0782 69 L 4.8036 9.0305 126.8807 54.1238 42.8168 175.7707 70 V 4.3633 8.7789 127.7889 61.1211 33.5209 174.3986 71 L 4.8879 8.5167 128.3172 54.1755 42.7913 176.8663 72 R 4.2199 8.6800 123.2044 56.7356 29.9898 174.4276 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 4.46 0.00 2.07 2.20 0.00 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.69 0.00 2 Q 8.20 4.73 0.00 1.87 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.71 0.00 0.00 0.00 0.00 0.00 2.45 2.35 0.00 3 I 8.84 4.54 1.85 0.00 0.00 0.75 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 0.58 0.76 0.00 0.00 4 F 8.84 5.44 0.00 2.98 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 V 9.13 4.78 2.11 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 1.03 0.00 0.00 0.93 0.00 0.00 6 K 8.98 4.97 0.00 1.82 1.52 0.00 1.67 0.00 0.00 1.76 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.38 7.81 7 T 8.83 4.63 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 1.26 0.00 0.00 8 L 8.41 4.24 0.00 1.65 1.77 0.94 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.92 4.42 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 10 G 8.35 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 0.00 0.00 0.00 11 K 7.49 3.84 0.00 1.71 1.74 0.00 1.62 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.45 7.81 12 T 8.51 5.07 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 1.16 0.00 0.00 13 I 8.72 4.65 2.03 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 1.25 0.84 0.94 0.00 0.00 14 T 8.67 5.06 4.33 0.00 0.00 0.00 0.00 0.00 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 15 L 8.71 4.81 0.00 1.47 1.46 0.89 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.63 4.80 0.00 1.91 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 2.18 2.34 0.00 17 V 8.93 4.77 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 0.68 0.00 0.00 0.91 0.00 0.00 18 E 9.20 4.75 0.00 1.98 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 2.19 2.37 0.00 19 P 0.00 4.16 0.00 2.15 2.08 0.00 3.56 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.05 0.00 20 S 7.87 4.54 0.00 3.96 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 21 D 8.16 4.45 0.00 2.84 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 8.22 4.65 4.43 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 1.21 0.00 0.00 23 I 8.38 3.71 1.99 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.33 0.91 0.00 0.00 24 E 8.14 4.03 0.00 2.06 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 2.40 2.62 0.00 25 N 7.97 4.29 0.00 2.96 2.86 0.00 0.00 6.59 7.03 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 26 V 7.82 3.58 2.21 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 1.00 0.00 0.00 0.93 0.00 0.00 27 K 8.48 4.44 0.00 1.99 1.84 0.00 1.73 0.00 0.00 1.91 0.00 0.00 3.16 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.59 1.50 7.81 28 A 8.25 3.99 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 8.17 3.93 0.00 2.01 1.85 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.44 1.63 7.81 30 I 7.81 3.75 2.17 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 0.71 0.95 0.00 0.00 31 Q 8.25 4.28 0.00 2.22 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.26 0.00 32 D 8.04 4.53 0.00 2.86 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 33 K 7.85 4.26 0.00 1.76 1.86 0.00 1.66 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.60 7.81 34 E 8.76 4.63 0.00 1.99 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 2.23 2.43 0.00 35 G 8.29 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 0.00 0.00 0.00 36 I 7.04 4.12 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 1.30 0.74 0.91 0.00 0.00 37 P 0.00 4.42 0.00 2.22 2.01 0.00 3.62 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.10 0.00 38 P 0.00 4.23 0.00 2.17 2.12 0.00 3.60 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.10 0.00 39 D 8.09 4.48 0.00 2.78 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 8.18 4.61 0.00 2.15 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.93 0.00 0.00 0.00 0.00 0.00 2.30 2.32 0.00 41 Q 7.99 4.68 0.00 2.13 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.77 0.00 0.00 0.00 0.00 0.00 2.34 2.54 0.00 42 R 9.06 4.83 0.00 1.82 1.81 0.00 3.10 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.57 0.00 43 L 8.46 5.07 0.00 1.53 1.54 0.89 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 44 I 8.55 4.98 1.91 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 1.27 0.97 0.91 0.00 0.00 45 F 9.10 5.00 0.00 2.96 2.73 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 46 A 9.09 3.50 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 G 8.43 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 48 K 7.75 4.60 0.00 1.95 1.68 0.00 1.74 0.00 0.00 1.65 0.00 0.00 3.09 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.38 1.35 7.81 49 Q 8.49 4.51 0.00 2.06 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.92 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 50 L 8.79 3.91 0.00 1.35 1.17 0.67 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 51 E 9.36 4.65 0.00 2.01 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 2.43 2.52 0.00 52 D 9.19 4.45 0.00 2.68 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 53 G 8.26 3.72 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 0.00 0.00 0.00 54 R 7.95 4.36 0.00 1.78 1.80 0.00 3.17 0.00 0.00 3.12 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.31 0.00 55 T 8.77 4.92 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 1.24 0.00 0.00 56 L 8.44 4.12 0.00 1.90 1.69 0.88 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.36 4.13 0.00 3.98 4.10 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 58 D 7.95 4.21 0.00 2.66 2.37 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 59 Y 7.37 4.49 0.00 2.97 2.98 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 60 N 7.99 4.11 0.00 2.86 2.98 0.00 0.00 7.06 8.57 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 61 I 7.85 4.06 1.78 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.53 0.54 0.00 0.00 62 Q 8.20 4.62 0.00 2.19 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 6.80 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 63 K 8.28 4.01 0.00 1.83 1.83 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.43 1.46 7.81 64 E 9.25 3.63 0.00 2.18 2.37 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 2.34 2.23 0.00 65 S 7.93 4.42 0.00 3.71 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 66 T 8.73 5.06 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 1.17 0.00 0.00 67 L 9.12 4.79 0.00 1.56 1.60 0.81 0.65 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 68 H 9.00 5.27 0.00 3.14 3.21 0.00 5.80 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 9.03 4.80 0.00 1.60 1.60 0.93 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.78 4.36 2.09 0.00 0.00 0.00 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 0.94 0.00 0.00 71 L 8.52 4.89 0.00 1.57 1.58 0.93 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.68 4.22 0.00 1.77 1.72 0.00 3.29 0.00 0.00 3.26 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00