NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 Y 4.9484 8.1293 121.6799 57.9754 38.5812 174.1874 2 D 4.2876 8.4444 124.4099 51.7253 40.1669 176.1689 3 G 3.8838 8.7669 108.9897 46.1591 0.0000 175.2608 4 Q 4.2766 8.5852 117.5087 55.4975 29.4879 174.9816 5 N 4.7445 8.0037 118.0368 52.0871 39.2787 173.5361 6 C 5.0794 8.4203 123.3797 54.8506 42.3594 174.5133 7 K 4.0951 8.5533 124.7883 59.0836 32.0319 176.7149 8 E 4.7309 7.7097 114.1572 53.7779 32.5840 172.2754 9 P 4.3697 0.0000 0.0000 64.2046 31.5661 177.1838 10 G 3.9022 9.1950 110.1710 45.7690 0.0000 173.3202 11 N 4.8664 8.1983 118.3571 51.9295 39.4570 173.1546 12 C 5.3408 8.5335 118.1204 54.9168 41.5351 174.2830 13 W 4.3779 7.7174 130.1228 57.3045 30.8226 175.3276 14 E 3.8338 5.9000 122.6947 53.7039 32.9387 175.1328 15 N 3.8422 7.2705 118.6124 52.1625 38.5410 175.1509 16 K 4.2688 8.1321 119.7621 54.7800 33.2476 174.7834 17 P 4.4486 0.0000 0.0000 64.7804 31.3014 176.6895 18 G 3.8326 9.4708 110.2463 45.1611 0.0000 172.4802 19 Y 4.8564 7.5928 116.3961 55.0381 41.4177 173.7878 20 P 4.6336 0.0000 0.0000 62.6770 32.2411 176.4690 21 E 4.3752 8.7218 118.8276 58.3428 29.8566 177.3795 22 K 4.6413 7.8212 118.8382 54.5030 35.1346 175.7672 23 I 4.0965 8.4018 118.3607 61.9907 38.4854 175.6235 24 A 4.1094 7.8827 124.9601 53.7161 18.4284 177.3588 25 G 3.9830 9.3817 112.8946 45.2985 0.0000 173.7955 26 S 4.5118 7.8199 114.9390 56.8670 64.4695 174.6982 27 K 4.0897 8.1925 117.9060 58.5354 32.4345 176.9383 28 Y 4.6980 7.4115 116.6898 57.6899 38.1058 174.9597 29 D 4.4694 7.8285 120.8819 53.7904 41.2256 174.7220 30 P 4.2044 0.0000 0.0000 63.7018 32.2552 176.2932 31 K 3.7586 7.9719 118.0490 57.6521 29.8462 174.7556 32 H 4.3423 7.5805 114.4822 55.6781 30.0746 176.0674 33 D 4.5769 8.5979 122.6365 53.0541 41.7564 175.0993 34 P 4.2434 0.0000 0.0000 66.0362 31.1028 178.6878 35 V 3.6044 7.7994 116.0036 66.0217 31.7483 177.7091 36 E 4.1185 8.0935 117.9260 59.3449 29.1960 179.0925 37 L 4.0317 7.8847 118.1238 57.3424 42.0873 178.3633 38 N 4.6796 7.8713 114.6210 53.6750 38.8260 177.1860 39 K 4.0279 7.8578 121.0437 59.4362 32.0449 179.1553 40 Q 3.9845 7.9891 118.0436 58.7791 28.7358 178.0739 41 E 3.9090 8.0889 119.8570 59.4750 29.8618 178.6454 42 E 4.0165 8.1143 118.2448 59.2002 29.4012 179.3707 43 S 4.0757 8.1203 113.4270 61.4899 62.4254 176.3014 44 I 3.7252 7.9517 122.6074 64.0667 36.8698 178.5411 45 K 3.9051 8.1484 119.1725 59.4258 31.9804 179.0392 46 A 3.9722 7.8318 120.6451 55.4482 18.2864 179.2534 47 M 3.9557 8.1498 116.5852 59.0794 32.2765 178.1513 48 D 4.3429 8.4878 119.0408 57.1679 40.8975 178.7652 49 A 3.9654 7.8458 121.0817 55.2770 18.5687 179.8878 50 R 3.8780 8.0241 116.5802 59.3625 30.0719 179.0840 51 N 4.2924 8.3788 116.0639 56.3643 38.6123 177.1403 52 A 3.9782 8.1410 122.2093 55.2619 18.1793 179.6118 53 K 3.9334 7.8408 117.0289 59.5220 32.1324 179.1379 54 R 4.0675 7.8160 118.0926 59.3152 29.8513 178.9171 55 I 3.7400 7.7037 118.0941 64.2825 37.1473 177.8174 56 A 4.1403 7.7503 120.5165 55.2284 18.3062 177.1354 57 N 4.4777 7.6370 116.4615 53.6239 38.7148 175.0807 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 Y 8.13 4.95 0.00 2.64 2.91 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.44 4.29 0.00 2.79 2.66 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 3 G 8.77 3.88 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 0.00 0.00 0.00 4 Q 8.59 4.28 0.00 2.09 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.73 0.00 0.00 0.00 0.00 0.00 2.42 2.39 0.00 5 N 8.00 4.74 0.00 2.78 2.90 0.00 0.00 7.02 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 6 C 8.42 5.08 0.00 3.00 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 7 K 8.55 4.10 0.00 1.81 1.91 0.00 1.77 0.00 0.00 1.81 0.00 0.00 3.11 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.51 1.43 7.81 8 E 7.71 4.73 0.00 2.10 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 2.29 2.35 0.00 9 P 0.00 4.37 0.00 2.07 2.06 0.00 3.76 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 10 G 9.20 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 11 N 8.20 4.87 0.00 2.73 2.81 0.00 0.00 6.97 7.67 0.00 0.00 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 8.53 5.34 0.00 3.07 3.19 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 0.00 0.00 0.00 0.00 13 W 7.72 4.38 0.00 3.35 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 14 E 5.90 3.83 0.00 1.34 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 2.02 2.31 0.00 15 N 7.27 3.84 0.00 2.94 2.77 0.00 0.00 6.12 7.13 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 16 K 8.13 4.27 0.00 1.83 1.84 0.00 1.41 0.00 0.00 1.84 0.00 0.00 2.94 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.60 1.30 7.81 17 P 0.00 4.45 0.00 2.21 2.10 0.00 3.80 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.02 0.00 18 G 9.47 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 19 Y 7.59 4.86 0.00 3.11 2.89 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 0.00 0.00 0.00 20 P 0.00 4.63 0.00 2.52 2.16 0.00 4.14 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.24 0.00 21 E 8.72 4.38 0.00 2.07 2.18 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 2.33 2.34 0.00 22 K 7.82 4.64 0.00 1.70 1.67 0.00 1.79 0.00 0.00 1.78 0.00 0.00 3.03 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.41 1.41 7.81 23 I 8.40 4.10 1.99 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 1.35 0.45 1.02 0.00 0.00 24 A 7.88 4.11 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 25 G 9.38 3.98 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 0.00 0.00 0.00 26 S 7.82 4.51 0.00 4.03 4.09 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 0.00 0.00 0.00 0.00 27 K 8.19 4.09 0.00 1.61 1.75 0.00 1.21 0.00 0.00 1.45 0.00 0.00 2.70 0.00 0.00 2.59 0.00 0.00 0.00 0.00 0.83 0.21 7.81 28 Y 7.41 4.70 0.00 3.11 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 29 D 7.83 4.47 0.00 2.92 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.20 0.00 1.69 2.07 0.00 3.94 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 1.82 1.90 0.00 31 K 7.97 3.76 0.00 1.85 1.83 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.38 1.37 7.81 32 H 7.58 4.34 0.00 3.15 3.19 0.00 5.69 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 D 8.60 4.58 0.00 2.75 2.57 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 0.00 0.00 0.00 0.00 34 P 0.00 4.24 0.00 2.19 2.11 0.00 3.66 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 2.12 2.18 0.00 35 V 7.80 3.60 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 0.83 0.00 0.00 0.93 0.00 0.00 36 E 8.09 4.12 0.00 2.17 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 2.40 2.35 0.00 37 L 7.88 4.03 0.00 1.77 1.71 0.92 0.72 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 38 N 7.87 4.68 0.00 2.70 2.93 0.00 0.00 6.91 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 39 K 7.86 4.03 0.00 1.90 1.85 0.00 1.79 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.69 7.81 40 Q 7.99 3.98 0.00 2.08 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.91 0.00 0.00 0.00 0.00 0.00 2.44 2.40 0.00 41 E 8.09 3.91 0.00 2.02 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 0.00 2.37 2.40 0.00 42 E 8.11 4.02 0.00 2.22 1.98 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 2.32 2.41 0.00 43 S 8.12 4.08 0.00 3.95 4.03 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 44 I 7.95 3.73 2.00 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 1.52 0.72 0.91 0.00 0.00 45 K 8.15 3.91 0.00 1.99 1.85 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.46 1.67 7.81 46 A 7.83 3.97 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 47 M 8.15 3.96 0.00 2.20 2.13 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.58 0.00 48 D 8.49 4.34 0.00 2.90 2.70 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 49 A 7.85 3.97 1.39 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 0.00 0.00 0.00 50 R 8.02 3.88 0.00 2.02 1.99 0.00 3.13 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.87 0.00 51 N 8.38 4.29 0.00 2.92 2.86 0.00 0.00 6.90 6.60 0.00 0.00 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 A 8.14 3.98 1.39 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 0.00 0.00 0.00 53 K 7.84 3.93 0.00 1.93 2.04 0.00 1.80 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.48 7.81 54 R 7.82 4.07 0.00 2.12 1.95 0.00 3.19 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 55 I 7.70 3.74 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 1.71 0.73 0.91 0.00 0.00 56 A 7.75 4.14 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 57 N 7.64 4.48 0.00 2.77 2.74 0.00 0.00 6.94 7.44 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