NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.7711 8.1593 111.0782 61.7060 70.1394 172.8569 3 I 4.5440 8.6373 119.4296 58.1737 41.3145 172.1807 4 Q 5.1428 9.5575 126.9959 54.3987 31.7155 175.6204 5 L 4.9241 9.1051 125.6105 53.2776 46.2886 175.3641 6 T 4.8046 8.3988 118.5284 62.4386 70.7686 173.9598 7 V 4.6323 8.7290 126.5001 60.2091 32.0919 174.0576 8 P 4.3370 0.0000 0.0000 64.8199 31.6296 177.5265 9 T 4.3677 7.8545 106.3855 61.4415 68.8295 175.0166 10 I 3.9823 7.6679 123.5172 61.5339 35.8497 175.4128 11 A 4.3245 8.4495 129.1617 53.8475 19.5063 176.6899 12 C 4.6454 7.4618 109.4879 56.4778 33.1766 174.1463 13 E 3.8708 8.6264 120.1604 59.4101 28.9905 178.3980 14 A 3.9770 7.9457 120.3039 55.2804 18.5441 179.0910 15 C 4.2736 8.3998 115.8634 62.3443 28.2593 175.9419 16 A 3.8632 8.0665 122.2754 55.2880 17.8617 179.3724 17 E 3.8525 8.4762 117.6890 59.1549 29.6976 178.8243 18 A 3.9805 7.9974 121.0285 55.0766 18.5761 179.8248 19 V 3.3903 7.6062 116.6658 66.2978 31.5574 178.2809 20 T 3.8300 7.8600 115.4436 66.7555 68.2803 176.7321 21 K 3.9553 8.3987 120.3751 59.3114 32.0456 179.1716 22 A 3.9844 8.0680 121.1194 55.1710 18.1814 179.9772 23 V 3.6266 7.6822 116.2204 66.3579 31.4977 178.4495 24 Q 4.2131 8.0287 116.3345 58.9073 28.5417 178.2508 25 N 4.4865 8.2576 116.9462 55.7729 38.5442 176.6432 26 E 4.5314 7.5203 117.9643 57.0530 30.4314 175.7521 27 D 4.5277 8.3331 118.4403 51.8697 42.4970 175.2251 28 A 4.1485 8.7148 130.4173 55.0069 18.4226 178.2627 29 Q 4.2082 8.2563 112.6874 56.9686 29.3550 176.2870 30 A 4.5704 7.7716 120.3667 52.1106 19.1761 176.9671 31 T 4.7399 8.3791 109.9653 59.8836 72.6112 173.1444 32 V 4.7904 8.3310 123.9853 62.0868 34.6866 174.7681 33 Q 4.6358 9.1641 128.7697 53.9441 30.4876 171.1632 34 V 4.5299 8.3726 124.7538 60.3602 33.4899 174.8674 35 D 4.6268 9.3408 128.9646 52.6846 40.8151 176.6813 36 L 4.0072 8.5042 126.7405 57.7035 42.0394 179.3019 37 T 4.0510 8.0485 107.9834 63.7380 68.9892 175.1768 38 S 4.4732 8.1135 114.2134 57.3610 64.2587 174.2498 39 K 3.9126 8.3756 120.4365 57.3659 29.6750 174.8834 40 K 4.9765 7.8560 117.3357 54.8049 34.8132 175.5250 41 V 4.6998 8.9571 123.9532 61.3983 34.5783 174.1003 42 T 5.0382 9.0003 124.9940 61.9675 70.9631 173.1851 43 I 4.8112 8.8437 128.0621 59.7460 40.1589 174.8299 44 T 4.7285 8.4742 123.9549 62.4886 70.0174 173.4685 45 S 4.6512 8.2348 118.6588 57.4456 64.7711 175.0273 46 A 4.1857 8.2261 127.9919 54.0039 18.6282 178.5186 47 L 4.1970 7.7435 115.8724 54.3001 42.4498 177.8999 48 G 3.8510 8.3040 107.3824 44.1873 0.0000 174.3456 49 E 3.9384 8.7267 121.5659 59.2619 29.5222 179.0014 50 E 3.9185 8.0703 118.6454 59.3982 29.8573 178.5280 51 Q 4.0133 8.0631 117.5951 58.9901 28.7762 178.8699 52 L 3.9783 7.9279 119.8853 57.9338 41.7351 179.7777 53 R 3.9632 8.5391 118.3633 59.4719 29.9734 179.1983 54 T 3.8730 8.1377 115.4125 66.6818 68.5463 176.5331 55 A 4.0476 8.0235 122.6024 55.1518 18.4237 179.8238 56 I 3.7379 7.8882 118.2702 64.4289 37.1980 178.5341 57 A 4.4366 8.1145 123.0404 54.8269 17.9825 179.8991 58 S 4.1673 8.0492 112.5336 61.1157 62.9715 175.7896 59 A 4.4091 7.5960 120.8939 52.2980 18.5047 177.8684 60 G 3.8594 8.1443 105.8408 45.0135 0.0000 173.1705 61 Y 4.5262 8.2023 120.0484 56.2244 40.0897 175.6854 62 E 4.1985 8.8422 121.6888 55.6145 30.5927 172.5792 63 V 4.4367 8.0941 123.3238 60.0986 33.1561 175.2146 64 E 4.1239 8.8027 126.8997 56.5627 29.3740 176.1815 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 T 8.16 4.77 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 1.21 0.00 0.00 3 I 8.64 4.54 1.87 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 1.11 1.39 0.91 0.00 0.00 4 Q 9.56 5.14 0.00 2.04 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.77 0.00 0.00 0.00 0.00 0.00 2.22 2.34 0.00 5 L 9.11 4.92 0.00 1.54 1.48 0.92 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 6 T 8.40 4.80 4.25 0.00 0.00 0.00 0.00 0.00 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 7 V 8.73 4.63 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 1.02 0.00 0.00 0.93 0.00 0.00 8 P 0.00 4.34 0.00 2.11 2.12 0.00 3.91 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 9 T 7.85 4.37 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 1.23 0.00 0.00 10 I 7.67 3.98 1.85 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.56 0.86 0.00 0.00 11 A 8.45 4.32 1.32 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 0.00 0.00 12 C 7.46 4.65 0.00 3.11 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 13 E 8.63 3.87 0.00 2.09 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 2.37 2.44 0.00 14 A 7.95 3.98 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 15 C 8.40 4.27 0.00 3.15 2.94 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 16 A 8.07 3.86 1.32 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 0.00 0.00 17 E 8.48 3.85 0.00 2.06 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.36 0.00 18 A 8.00 3.98 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 V 7.61 3.39 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 0.91 0.00 0.00 0.29 0.00 0.00 20 T 7.86 3.83 4.37 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 1.19 0.00 0.00 21 K 8.40 3.96 0.00 1.91 1.86 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.45 1.57 7.81 22 A 8.07 3.98 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 23 V 7.68 3.63 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 1.09 0.00 0.00 0.94 0.00 0.00 24 Q 8.03 4.21 0.00 2.06 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.78 0.00 0.00 0.00 0.00 0.00 2.50 2.53 0.00 25 N 8.26 4.49 0.00 2.88 2.89 0.00 0.00 7.01 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 26 E 7.52 4.53 0.00 2.16 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.45 0.00 27 D 8.33 4.53 0.00 2.68 2.49 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 0.00 0.00 0.00 0.00 28 A 8.71 4.15 1.30 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 0.00 0.00 29 Q 8.26 4.21 0.00 2.20 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.84 0.00 0.00 0.00 0.00 0.00 2.36 2.34 0.00 30 A 7.77 4.57 1.29 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 0.00 0.00 0.00 31 T 8.38 4.74 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 32 V 8.33 4.79 2.05 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 0.75 0.00 0.00 0.91 0.00 0.00 33 Q 9.16 4.64 0.00 1.74 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.56 0.00 0.00 0.00 0.00 0.00 2.19 2.14 0.00 34 V 8.37 4.53 2.05 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 0.88 0.00 0.00 0.88 0.00 0.00 35 D 9.34 4.63 0.00 2.79 2.65 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 0.00 0.00 0.00 0.00 36 L 8.50 4.01 0.00 1.67 1.71 0.94 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 37 T 8.05 4.05 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 1.21 0.00 0.00 38 S 8.11 4.47 0.00 3.99 4.01 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 39 K 8.38 3.91 0.00 1.98 2.21 0.00 1.79 0.00 0.00 1.82 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.34 1.55 7.81 40 K 7.86 4.98 0.00 1.69 1.69 0.00 1.60 0.00 0.00 1.74 0.00 0.00 2.81 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.41 7.81 41 V 8.96 4.70 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 0.96 0.00 0.00 0.89 0.00 0.00 42 T 9.00 5.04 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 43 I 8.84 4.81 1.86 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 1.21 0.93 0.90 0.00 0.00 44 T 8.47 4.73 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 1.21 0.00 0.00 45 S 8.23 4.65 0.00 3.82 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 46 A 8.23 4.19 1.27 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 0.00 0.00 0.00 47 L 7.74 4.20 0.00 1.65 1.61 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 48 G 8.30 3.85 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 0.00 0.00 0.00 49 E 8.73 3.94 0.00 2.04 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 2.38 2.38 0.00 50 E 8.07 3.92 0.00 2.07 1.93 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 2.38 2.40 0.00 51 Q 8.06 4.01 0.00 2.32 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.69 0.00 0.00 0.00 0.00 0.00 2.45 2.46 0.00 52 L 7.93 3.98 0.00 1.85 1.71 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 53 R 8.54 3.96 0.00 1.80 1.99 0.00 3.14 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.81 0.00 54 T 8.14 3.87 4.39 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 1.22 0.00 0.00 55 A 8.02 4.05 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 56 I 7.89 3.74 1.90 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 1.04 0.98 0.00 0.00 57 A 8.11 4.44 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.05 4.17 0.00 4.03 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 59 A 7.60 4.41 1.49 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 0.00 0.00 0.00 0.00 0.00 0.00 60 G 8.14 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 61 Y 8.20 4.53 0.00 2.99 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 62 E 8.84 4.20 0.00 1.99 1.74 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 2.23 1.86 0.00 63 V 8.09 4.44 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 0.95 0.00 0.00 0.96 0.00 0.00 64 E 8.80 4.12 0.00 1.98 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 0.00 2.33 2.26 0.00