NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2384 8.1076 123.5839 52.1546 20.5085 175.9921 2 Q 3.9896 8.1574 116.7892 55.4925 27.7297 174.0946 3 H 4.2131 8.9427 120.5905 55.9375 28.8021 176.2907 4 D 4.5519 7.9435 117.9515 54.9158 43.0257 175.4681 5 E 3.9439 8.7722 125.8509 59.5986 29.6728 179.5577 6 A 3.9936 8.0230 120.2255 55.0795 18.6390 179.1453 7 Q 3.9152 8.4772 118.2734 59.5309 29.1565 178.6110 8 Q 4.2956 8.5232 118.9143 59.2581 28.5209 177.8513 9 N 4.3232 8.3761 118.8089 56.3858 39.0148 176.5394 10 A 3.9327 8.0997 122.0194 55.2515 18.5031 179.3865 11 F 4.1547 7.8822 115.6207 61.0130 38.9880 177.1756 12 Y 4.0801 8.4777 119.0675 61.0257 38.3706 178.3882 13 Q 3.9405 8.3452 117.7251 58.9043 28.9070 178.3597 14 V 3.6684 7.6170 118.1369 65.9824 31.5453 177.8232 15 L 4.1145 7.6869 117.3498 57.4510 42.9396 178.7698 16 N 4.8583 7.6695 116.5175 51.3815 35.2837 176.1318 17 M 4.5963 7.2326 119.5355 52.7077 34.6432 174.9280 18 P 4.3215 0.0000 0.0000 64.8571 31.8773 177.4189 19 N 4.6089 8.2115 115.3275 54.2232 39.0526 175.5802 20 L 4.4005 7.3905 118.6822 54.3711 42.4676 177.1088 21 N 4.7611 8.7761 120.6361 51.4251 40.1707 176.2794 22 A 3.9615 8.3891 121.4688 55.6057 18.2822 179.2546 23 D 4.3010 8.1720 116.5341 57.7782 40.8974 178.9696 24 Q 3.8268 8.5344 118.4959 59.0470 28.7170 179.2118 25 R 4.2085 8.1654 116.9602 59.4704 29.4078 178.5181 26 N 4.4370 8.6133 117.6443 55.8984 38.5700 177.2985 27 G 3.5892 8.1734 107.2682 47.9964 0.0000 175.5635 28 F 4.3551 7.9768 120.6439 60.1655 38.8833 177.7033 29 I 3.8742 8.1756 119.5821 64.6772 36.8939 178.3877 30 Q 4.0567 8.3856 118.8279 59.2928 28.5296 179.1127 31 S 4.1313 8.1829 116.0092 61.5069 62.6038 176.6656 32 L 3.8499 7.9673 122.2763 58.0854 41.9237 178.8351 33 K 4.3329 8.1938 117.1812 59.6748 32.0942 178.7866 34 D 4.6801 8.2911 118.1179 56.1628 42.2456 176.8509 35 D 4.9146 8.1192 120.4977 51.2782 41.1161 174.5387 36 P 4.3906 0.0000 0.0000 65.1202 32.1429 179.7505 37 S 4.1329 8.2564 113.1650 61.0950 62.8562 175.5080 38 Q 4.6183 7.7908 119.4176 55.4051 29.7692 178.3244 39 S 3.9599 7.7337 117.6297 61.8010 62.9356 176.0063 40 A 3.9179 7.9182 122.7103 55.1086 18.0268 178.9777 41 N 4.1601 8.0090 114.8718 56.8766 39.1255 176.9171 42 V 3.7147 7.8461 119.6759 65.9141 31.4699 177.4699 43 L 3.8330 8.0876 120.2916 58.1312 41.8294 179.0270 44 G 3.6201 8.0660 105.4626 47.9705 0.0000 175.2709 45 E 3.8786 8.3035 121.4883 58.8580 29.4102 179.3483 46 A 2.6794 7.2459 120.6998 54.7539 18.2267 179.4464 47 Q 3.7790 8.0253 118.3165 59.0449 29.0002 178.4065 48 K 3.8707 8.1471 120.8611 59.4542 32.4056 178.6052 49 L 4.0406 8.0507 122.1830 57.4244 41.7907 178.2434 50 N 4.2523 8.1469 116.4110 56.7870 39.2339 175.8898 51 D 4.4772 8.3191 119.7614 57.5025 41.2387 178.3865 52 S 4.2073 8.3660 114.8732 61.2113 62.6020 175.3873 53 Q 4.5432 7.6323 118.4772 54.4295 28.8431 175.5591 54 A 4.1243 7.4274 124.7184 51.4445 19.0031 176.1361 55 P 4.3900 0.0000 0.0000 65.1866 31.6359 176.5778 56 K 4.1907 7.9002 119.6483 56.4272 32.3184 176.0715 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 8.11 4.24 1.43 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 0.00 0.00 0.00 2 Q 8.16 3.99 0.00 2.17 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.62 0.00 0.00 0.00 0.00 0.00 2.29 2.32 0.00 3 H 8.94 4.21 0.00 3.33 3.48 0.00 5.72 0.00 0.00 0.00 0.00 7.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 D 7.94 4.55 0.00 2.82 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.77 3.94 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 2.41 2.40 0.00 6 A 8.02 3.99 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 7 Q 8.48 3.92 0.00 2.25 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.57 0.00 0.00 0.00 0.00 0.00 2.66 2.74 0.00 8 Q 8.52 4.30 0.00 2.40 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.58 0.00 0.00 0.00 0.00 0.00 2.69 2.40 0.00 9 N 8.38 4.32 0.00 2.88 3.09 0.00 0.00 7.06 8.55 0.00 0.00 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 A 8.10 3.93 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 11 F 7.88 4.15 0.00 3.37 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 12 Y 8.48 4.08 0.00 3.23 3.23 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 0.00 13 Q 8.35 3.94 0.00 2.14 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.69 0.00 0.00 0.00 0.00 0.00 2.54 2.71 0.00 14 V 7.62 3.67 2.24 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 0.88 0.00 0.00 0.85 0.00 0.00 15 L 7.69 4.11 0.00 1.69 1.61 0.95 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 16 N 7.67 4.86 0.00 2.35 2.60 0.00 0.00 6.09 6.90 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 17 M 7.23 4.60 0.00 2.11 2.09 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 2.68 2.45 0.00 18 P 0.00 4.32 0.00 2.17 2.17 0.00 3.84 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 19 N 8.21 4.61 0.00 2.95 3.05 0.00 0.00 7.20 7.24 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 20 L 7.39 4.40 0.00 1.79 1.68 1.04 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 21 N 8.78 4.76 0.00 3.01 2.97 0.00 0.00 6.82 7.50 0.00 0.00 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 A 8.39 3.96 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 23 D 8.17 4.30 0.00 2.89 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.53 3.83 0.00 2.31 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 7.17 0.00 0.00 0.00 0.00 0.00 2.35 2.48 0.00 25 R 8.17 4.21 0.00 2.27 2.29 0.00 2.80 0.00 0.00 3.19 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.72 0.00 26 N 8.61 4.44 0.00 2.86 2.91 0.00 0.00 7.12 8.39 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 27 G 8.17 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.98 4.36 0.00 3.27 3.01 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 0.00 0.00 0.00 0.00 29 I 8.18 3.87 2.15 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.86 1.12 0.00 0.00 30 Q 8.39 4.06 0.00 2.22 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.80 0.00 0.00 0.00 0.00 0.00 2.60 2.56 0.00 31 S 8.18 4.13 0.00 4.12 3.97 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 32 L 7.97 3.85 0.00 1.77 1.47 0.20 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 33 K 8.19 4.33 0.00 2.04 1.96 0.00 1.82 0.00 0.00 1.81 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.65 1.99 7.81 34 D 8.29 4.68 0.00 2.81 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 D 8.12 4.91 0.00 2.85 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.39 0.00 2.24 2.37 0.00 3.79 0.00 0.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.99 0.00 37 S 8.26 4.13 0.00 4.00 4.06 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 0.00 0.00 0.00 0.00 38 Q 7.79 4.62 0.00 2.23 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.82 0.00 0.00 0.00 0.00 0.00 2.30 2.37 0.00 39 S 7.73 3.96 0.00 3.77 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 40 A 7.92 3.92 1.28 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 0.00 0.00 41 N 8.01 4.16 0.00 2.83 2.96 0.00 0.00 6.82 8.02 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 42 V 7.85 3.71 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 1.01 0.00 0.00 43 L 8.09 3.83 0.00 1.79 1.76 0.88 1.20 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 44 G 8.07 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 E 8.30 3.88 0.00 2.07 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.47 0.00 46 A 7.25 2.68 0.66 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 47 Q 8.03 3.78 0.00 2.12 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.72 0.00 0.00 0.00 0.00 0.00 2.31 2.36 0.00 48 K 8.15 3.87 0.00 1.94 1.93 0.00 1.57 0.00 0.00 1.56 0.00 0.00 2.98 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.43 1.49 7.81 49 L 8.05 4.04 0.00 2.06 1.78 1.01 0.85 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 50 N 8.15 4.25 0.00 2.75 2.97 0.00 0.00 7.18 9.02 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 51 D 8.32 4.48 0.00 2.86 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 52 S 8.37 4.21 0.00 4.08 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 0.00 53 Q 7.63 4.54 0.00 2.28 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 7.26 0.00 0.00 0.00 0.00 0.00 2.37 2.50 0.00 54 A 7.43 4.12 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 55 P 0.00 4.39 0.00 2.05 2.15 0.00 3.64 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 2.04 2.14 0.00 56 K 7.90 4.19 0.00 1.70 1.68 0.00 1.67 0.00 0.00 1.74 0.00 0.00 3.14 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.35 1.46 7.81