NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 F 4.5646 8.3249 119.4748 57.3188 40.4039 173.9124 2 E 4.5249 8.3988 121.8805 53.4193 32.5068 174.4501 3 N 4.5651 9.5189 121.7915 53.8727 39.5083 174.2745 4 R 4.6446 8.3539 124.9142 56.0395 31.1832 178.7304 5 V 3.6095 8.3123 120.6977 66.1458 31.3898 177.5429 6 A 4.3485 8.0147 121.3051 54.6778 18.1401 179.3570 7 E 3.9205 8.1108 116.3671 59.6176 29.6820 179.6132 8 K 4.1817 7.9369 118.1138 59.4713 32.0012 179.5295 9 Q 4.1211 8.6322 119.0342 58.6486 28.4945 178.6538 10 K 4.0167 8.1048 120.7232 59.4202 32.4407 178.5676 11 L 3.7913 7.8840 120.5617 58.0937 41.8055 178.2969 12 F 4.5662 8.0637 114.2190 58.2396 39.2401 176.0051 13 Q 4.5380 7.5425 116.3224 55.1204 29.7094 175.4416 14 E 3.9165 7.5308 119.1267 56.4976 29.9447 177.3462 15 D 4.6483 8.5186 127.3118 53.3963 39.3185 174.8030 16 N 4.7614 8.0597 115.4134 51.3601 38.1491 176.5227 17 G 3.8995 8.1657 105.2644 46.1344 0.0000 174.0161 18 L 4.2023 7.7839 119.9131 53.2514 42.4280 175.3864 19 P 4.4788 0.0000 0.0000 62.1780 31.9415 177.4690 20 V 3.6769 8.6489 120.1317 65.3834 30.9923 177.4467 21 H 4.6106 8.2419 112.9604 56.6256 28.9710 175.2780 22 L 4.6839 8.1837 119.0665 54.0979 43.3208 177.7544 23 K 4.1694 7.8818 118.5240 57.9451 32.2138 177.7210 24 G 3.6629 8.8387 107.3531 47.0994 0.0000 172.8383 25 G 3.6645 7.7524 104.7915 44.1274 0.0000 173.5541 26 A 4.0130 8.9279 120.3812 55.9039 18.1024 180.2211 27 T 3.8819 7.8922 113.4870 66.8634 68.4762 176.3289 28 D 4.4713 8.0432 120.3836 57.3890 40.7566 178.6206 29 N 4.4287 8.1451 116.3737 56.4388 38.6160 177.2866 30 I 3.7099 7.6423 120.5968 64.4131 37.2117 178.2545 31 L 3.9555 8.3679 121.5499 58.2061 41.8454 178.3446 32 Y 4.1119 8.4027 119.6809 60.9719 38.8213 178.3735 33 R 3.6335 8.2358 119.0324 58.8833 30.0175 179.3608 34 V 3.5066 7.9230 118.2093 66.2217 31.5212 178.0800 35 T 3.7903 7.8765 115.4722 67.0564 68.2823 176.3091 36 M 3.8870 8.0333 120.2466 58.7808 32.0559 178.4352 37 T 3.8185 7.9061 116.0185 66.5383 68.5434 176.7442 38 L 3.9915 8.0545 121.0269 57.8331 41.6246 179.4097 39 C 4.1302 8.2706 116.7997 62.9107 28.1621 176.2417 40 L 4.1228 8.2558 120.9750 57.7069 41.1573 179.8967 41 G 3.7048 8.5604 106.2933 47.7913 0.0000 176.0585 42 G 3.7923 8.4554 108.6184 47.8155 0.0000 176.0085 43 T 4.0675 7.9178 119.3479 65.7599 68.4304 176.8834 44 L 4.0368 8.1080 120.9734 58.1117 41.6931 178.8790 45 Y 4.5019 8.5499 120.0744 60.9253 38.1375 178.4151 46 S 3.9088 8.2511 115.2126 61.2038 63.0163 176.5486 47 L 4.0326 7.9817 122.7336 57.6392 41.2711 178.7090 48 Y 4.2490 8.3180 119.5914 61.0854 38.7045 177.9779 49 C 3.7716 8.0681 117.6409 62.4901 28.1412 175.8972 50 L 4.0287 8.2192 122.3167 58.0336 41.4740 179.1896 51 G 3.7447 8.1128 104.7808 47.5819 0.0000 175.1290 52 W 4.1869 8.3395 130.9281 60.1840 30.5691 177.8696 53 A 4.2773 8.4059 118.8590 54.4588 17.9450 179.3382 54 S 3.9880 8.0704 113.1005 59.5218 63.1873 174.2999 55 F 4.7398 6.7668 118.3449 54.3918 41.1268 173.6940 56 P 4.3736 0.0000 0.0000 63.1885 31.8353 175.8990 57 H 4.5823 8.2281 116.9331 57.5802 29.6915 174.2606 58 K 4.3634 8.0436 124.1334 56.9832 31.9887 174.6466 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 4.56 0.00 2.98 3.13 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 0.00 0.00 0.00 0.00 2 E 8.40 4.52 0.00 1.99 1.83 0.00 0.00 0.00 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 2.36 0.00 3 N 9.52 4.57 0.00 2.72 2.79 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 8.35 4.64 0.00 1.89 1.90 0.00 3.41 0.00 0.00 3.27 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.54 0.00 5 V 8.31 3.61 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 0.98 0.00 0.00 0.99 0.00 0.00 6 A 8.01 4.35 1.34 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 7 E 8.11 3.92 0.00 2.18 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 2.42 0.00 8 K 7.94 4.18 0.00 2.04 2.09 0.00 1.90 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.71 1.74 7.81 9 Q 8.63 4.12 0.00 2.27 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.81 0.00 0.00 0.00 0.00 0.00 2.43 2.59 0.00 10 K 8.10 4.02 0.00 1.94 2.00 0.00 1.64 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.43 7.81 11 L 7.88 3.79 0.00 1.65 1.67 0.65 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 12 F 8.06 4.57 0.00 3.21 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 13 Q 7.54 4.54 0.00 2.09 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.46 0.00 14 E 7.53 3.92 0.00 2.14 1.88 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 2.29 2.22 0.00 15 D 8.52 4.65 0.00 2.68 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 8.06 4.76 0.00 2.79 2.83 0.00 0.00 6.33 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 8.17 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 7.78 4.20 0.00 1.80 1.58 0.93 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 19 P 0.00 4.48 0.00 2.25 2.18 0.00 3.65 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 1.83 1.85 0.00 20 V 8.65 3.68 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 0.85 0.00 0.00 0.91 0.00 0.00 21 H 8.24 4.61 0.00 3.30 3.43 0.00 5.47 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 L 8.18 4.68 0.00 1.51 1.57 0.69 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 23 K 7.88 4.17 0.00 2.02 2.14 0.00 2.05 0.00 0.00 1.97 0.00 0.00 2.91 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.37 1.36 7.81 24 G 8.84 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 25 G 7.75 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 26 A 8.93 4.01 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 7.89 3.88 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 28 D 8.04 4.47 0.00 2.86 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 29 N 8.15 4.43 0.00 3.02 2.93 0.00 0.00 7.14 7.31 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 30 I 7.64 3.71 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 0.78 0.93 0.00 0.00 31 L 8.37 3.96 0.00 1.89 1.74 0.94 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 32 Y 8.40 4.11 0.00 3.19 3.28 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 33 R 8.24 3.63 0.00 2.07 1.92 0.00 3.29 0.00 0.00 3.35 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.77 0.00 34 V 7.92 3.51 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 1.09 0.00 0.00 0.94 0.00 0.00 35 T 7.88 3.79 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 1.20 0.00 0.00 36 M 8.03 3.89 0.00 1.61 1.47 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.51 0.00 37 T 7.91 3.82 4.36 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 1.18 0.00 0.00 38 L 8.05 3.99 0.00 1.82 1.71 0.91 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 39 C 8.27 4.13 0.00 3.08 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 8.26 4.12 0.00 1.71 1.71 0.91 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 41 G 8.56 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 0.00 0.00 0.00 42 G 8.46 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 7.92 4.07 4.42 0.00 0.00 0.00 0.00 0.00 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 8.11 4.04 0.00 1.96 1.79 0.94 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 45 Y 8.55 4.50 0.00 3.05 3.21 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 46 S 8.25 3.91 0.00 4.04 4.12 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 47 L 7.98 4.03 0.00 2.01 1.82 0.96 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 48 Y 8.32 4.25 0.00 3.16 3.32 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 49 C 8.07 3.77 0.00 2.93 2.76 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 0.00 0.00 0.00 0.00 50 L 8.22 4.03 0.00 1.79 1.89 0.92 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 51 G 8.11 3.74 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 0.00 0.00 0.00 52 W 8.34 4.19 0.00 2.95 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 53 A 8.41 4.28 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.07 3.99 0.00 3.86 3.42 0.00 0.00 0.00 0.00 0.00 0.00 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 6.77 4.74 0.00 2.84 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 4.37 0.00 2.11 1.98 0.00 3.84 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 1.95 1.97 0.00 57 H 8.23 4.58 0.00 2.99 3.27 0.00 5.96 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 K 8.04 4.36 0.00 1.80 1.91 0.00 1.78 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.35 1.35 7.81