NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 F 4.6995 8.3249 119.4861 57.4633 40.4031 173.7180 2 E 4.5212 8.4533 121.1217 53.4627 31.9728 174.5839 3 N 4.5221 9.5094 121.8595 54.0165 39.4446 174.2606 4 R 4.6249 8.4304 124.5553 56.0187 31.1769 178.2732 5 V 3.6272 8.7353 120.7580 66.4492 31.2679 177.5290 6 A 4.1466 8.2046 119.6127 55.7280 17.9495 179.3493 7 E 3.9359 8.1375 116.1599 59.4920 29.6357 179.6104 8 K 4.1175 7.8462 118.4521 59.4046 32.1759 179.3147 9 Q 4.1432 8.8682 118.8520 58.9524 28.4177 179.1119 10 K 3.9198 7.9439 119.4713 59.2750 32.6031 178.1172 11 L 3.9121 8.0993 121.0298 58.3916 41.7624 178.8182 12 F 4.3247 8.4062 114.8622 58.9859 39.0777 176.6490 13 Q 4.4683 7.7616 116.4711 54.3868 29.3159 175.3338 14 E 3.9131 7.3507 121.8189 56.5676 30.3265 177.5162 15 D 4.6807 8.4897 126.9987 53.6181 39.2560 175.0153 16 N 4.7971 7.8560 114.2099 51.6444 38.2938 176.3507 17 G 3.8999 8.2476 105.1107 46.2126 0.0000 174.0364 18 L 4.2621 7.9242 119.8174 53.1385 42.6115 175.3391 19 P 4.5240 0.0000 0.0000 62.1349 32.3033 177.6335 20 V 3.8137 8.4994 119.6956 65.2074 31.2022 177.6382 21 H 4.4990 8.2132 113.5537 56.9073 28.2504 175.3505 22 L 4.6842 8.1616 119.2151 54.1492 43.0936 177.7590 23 K 4.1176 7.9603 119.9734 58.1059 32.3014 177.8510 24 G 3.6925 8.8785 107.0231 46.2917 0.0000 172.0298 25 G 3.7223 7.4945 104.2555 44.1504 0.0000 174.1271 26 A 3.9943 8.7449 119.2051 55.3567 18.3018 180.1715 27 T 3.9516 7.9258 113.9580 66.5864 68.4036 176.4653 28 D 4.4241 8.3716 121.6231 57.3625 40.8723 178.3701 29 N 4.4677 8.1711 116.5245 56.3720 38.5654 177.2919 30 I 3.7343 7.6383 120.7366 64.3970 37.1837 178.3233 31 L 3.9701 8.0160 121.1445 58.0862 41.9251 177.8795 32 Y 4.2191 8.3999 119.9889 61.2427 38.6847 178.7200 33 R 3.5949 8.1142 118.4743 59.0002 30.1163 179.2838 34 V 3.5286 8.1213 118.4473 66.2210 31.5187 178.1177 35 T 3.7793 8.0983 115.7457 67.0069 68.3369 176.3277 36 M 3.9003 8.2010 120.1860 58.7109 32.0572 178.3900 37 T 3.7763 7.8394 115.8992 66.6362 68.6882 176.4491 38 L 3.9514 7.9497 120.8305 58.1004 41.6056 179.5657 39 C 4.1579 8.1778 116.4890 62.7389 28.1099 176.2396 40 L 4.0979 8.3908 121.0889 57.5940 41.3505 179.5162 41 G 3.7978 8.3339 106.0514 48.0115 0.0000 175.8849 42 G 3.7872 8.5056 108.8715 47.7494 0.0000 175.9343 43 T 3.9918 8.1118 118.0458 66.4417 68.4633 176.9653 44 L 4.0947 8.1534 121.0501 57.8689 41.5802 178.8319 45 Y 4.4770 8.3357 119.8663 60.8486 38.6721 178.3484 46 S 3.9302 8.3867 115.2556 61.2724 62.9730 176.4615 47 L 3.9620 8.1089 122.5794 57.6511 41.3158 178.6168 48 Y 4.0484 8.0951 119.3870 61.0774 38.7817 177.9078 49 C 3.9060 8.1987 117.5264 62.7923 28.0856 175.8583 50 L 4.0194 8.1090 121.8773 58.1628 41.4153 179.1772 51 G 3.6775 8.1084 104.5367 47.5834 0.0000 174.9785 52 W 4.1460 8.2178 131.1989 60.1666 30.6335 177.7489 53 A 4.1569 8.5576 118.6357 54.0814 17.9399 178.9206 54 S 4.0164 7.5242 112.6812 58.8517 63.3111 174.0497 55 F 4.7143 6.6837 119.5059 54.2054 41.9680 173.2673 56 P 4.2905 0.0000 0.0000 63.1168 31.9238 176.1699 57 H 4.3901 8.2555 116.5386 56.1405 29.5608 173.3469 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 F 8.32 4.70 0.00 2.90 3.12 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 2 E 8.45 4.52 0.00 2.04 1.87 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 2.24 2.39 0.00 3 N 9.51 4.52 0.00 2.71 2.78 0.00 0.00 6.89 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 R 8.43 4.62 0.00 1.90 1.91 0.00 3.67 0.00 0.00 3.33 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.57 0.00 5 V 8.74 3.63 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 1.03 0.00 0.00 0.97 0.00 0.00 6 A 8.20 4.15 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 7 E 8.14 3.94 0.00 2.21 2.02 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 2.41 2.41 0.00 8 K 7.85 4.12 0.00 2.01 2.12 0.00 2.03 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.54 1.73 7.81 9 Q 8.87 4.14 0.00 2.26 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.82 0.00 0.00 0.00 0.00 0.00 2.43 2.57 0.00 10 K 7.94 3.92 0.00 1.75 1.97 0.00 1.81 0.00 0.00 1.61 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.43 7.81 11 L 8.10 3.91 0.00 1.58 1.53 0.64 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 12 F 8.41 4.32 0.00 3.05 3.11 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 0.00 0.00 0.00 0.00 13 Q 7.76 4.47 0.00 2.13 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.78 0.00 0.00 0.00 0.00 0.00 2.37 2.47 0.00 14 E 7.35 3.91 0.00 1.86 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.22 0.00 15 D 8.49 4.68 0.00 2.67 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 7.86 4.80 0.00 2.78 2.94 0.00 0.00 6.35 7.00 0.00 0.00 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 G 8.25 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 18 L 7.92 4.26 0.00 1.77 1.58 0.89 1.02 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 19 P 0.00 4.52 0.00 2.24 2.17 0.00 3.63 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.89 0.00 20 V 8.50 3.81 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 0.83 0.00 0.00 0.90 0.00 0.00 21 H 8.21 4.50 0.00 3.31 3.46 0.00 5.47 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 L 8.16 4.68 0.00 1.50 1.57 0.73 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 23 K 7.96 4.12 0.00 1.98 2.17 0.00 2.04 0.00 0.00 1.92 0.00 0.00 2.93 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.43 1.36 7.81 24 G 8.88 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 0.00 0.00 0.00 25 G 7.49 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 26 A 8.74 3.99 1.33 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 0.00 0.00 0.00 27 T 7.93 3.95 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 1.24 0.00 0.00 28 D 8.37 4.42 0.00 2.87 2.95 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 29 N 8.17 4.47 0.00 2.92 2.94 0.00 0.00 7.12 7.49 0.00 0.00 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 I 7.64 3.73 2.04 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 1.43 0.80 0.93 0.00 0.00 31 L 8.02 3.97 0.00 1.96 1.73 0.94 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 32 Y 8.40 4.22 0.00 3.20 3.30 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 33 R 8.11 3.59 0.00 2.04 1.92 0.00 3.30 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.90 0.00 34 V 8.12 3.53 2.19 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 1.01 0.00 0.00 0.93 0.00 0.00 35 T 8.10 3.78 4.29 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 1.20 0.00 0.00 36 M 8.20 3.90 0.00 1.56 1.42 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.50 0.00 37 T 7.84 3.78 4.30 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 1.17 0.00 0.00 38 L 7.95 3.95 0.00 1.80 1.71 0.90 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 39 C 8.18 4.16 0.00 3.07 2.97 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 40 L 8.39 4.10 0.00 1.64 1.71 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 41 G 8.33 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 G 8.51 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 43 T 8.11 3.99 4.41 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 1.24 0.00 0.00 44 L 8.15 4.09 0.00 1.77 1.79 0.95 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 45 Y 8.34 4.48 0.00 2.93 3.16 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 0.00 0.00 0.00 0.00 46 S 8.39 3.93 0.00 4.06 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 47 L 8.11 3.96 0.00 2.00 1.82 0.97 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 48 Y 8.10 4.05 0.00 3.33 3.41 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 49 C 8.20 3.91 0.00 3.02 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 L 8.11 4.02 0.00 1.86 1.90 0.91 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 51 G 8.11 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 0.00 0.00 0.00 52 W 8.22 4.15 0.00 3.09 3.35 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 53 A 8.56 4.16 1.46 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 0.00 0.00 0.00 54 S 7.52 4.02 0.00 3.80 3.38 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 55 F 6.68 4.71 0.00 2.73 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 56 P 0.00 4.29 0.00 2.09 1.97 0.00 3.77 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.94 0.00 57 H 8.26 4.39 0.00 2.89 3.14 0.00 5.93 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00