NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9331 8.3549 109.7368 44.9902 0.0000 173.7177 2 S 4.0447 8.6321 121.4721 57.8118 63.4392 172.4834 3 H 4.2395 9.1566 125.5908 59.2104 30.7427 174.7709 4 M 4.3439 7.4510 117.8644 54.9674 33.2475 173.7323 5 E 4.1114 9.6325 127.8410 58.8219 30.0078 176.5144 6 D 4.5102 7.7858 120.3885 54.9463 45.7368 177.4172 7 S 4.7069 7.8093 114.3383 57.4886 64.0500 175.7374 8 T 3.9873 8.3203 118.4768 66.8278 68.5849 175.2690 9 T 4.2817 7.6343 110.3932 61.0097 69.7469 174.2239 10 N 4.7174 8.5534 123.8307 53.4152 37.6385 175.1318 11 I 4.3280 7.7327 110.0253 62.3982 38.2796 177.4872 12 T 4.0321 7.9410 112.9026 64.6002 69.2181 175.3672 13 K 4.0857 7.8292 120.5357 56.6167 33.5240 175.4410 14 K 3.5581 9.1248 123.7037 57.5719 29.5716 176.1473 15 Q 3.6464 8.3162 121.9760 55.9094 27.8213 172.3280 16 K 4.5248 8.1961 113.9524 57.2068 34.8343 175.0707 17 W 4.9719 8.7945 125.7254 54.3773 33.1702 175.5538 18 T 4.3955 8.5410 112.5119 60.7409 70.9330 176.4567 19 V 3.5880 8.2001 122.7048 65.1089 31.4092 178.0906 20 E 3.6011 7.8801 119.4015 58.9180 29.1967 178.4833 21 E 2.5400 6.9847 116.9310 59.0068 29.0028 179.6081 22 S 4.2810 8.0789 115.1291 61.3853 62.8318 176.5730 23 E 4.0773 7.9518 121.6469 59.0172 29.1910 179.2502 24 W 4.2181 7.6720 118.8232 59.9084 29.0777 178.8739 25 V 3.7559 7.8710 112.0894 64.2210 30.8048 178.6467 26 K 3.2134 7.7445 117.8052 59.2651 32.1643 178.7736 27 A 4.1154 8.0998 121.2065 55.1775 18.2913 179.8183 28 G 3.2825 8.2005 104.5851 47.8110 0.0000 176.0808 29 V 3.2380 7.3470 120.5513 65.3958 31.1112 177.9966 30 Q 3.9265 7.4478 118.5865 58.8343 29.1232 177.5662 31 K 4.1597 8.5025 119.6503 59.4632 32.4380 177.2540 32 Y 4.1870 8.5777 115.6120 60.7931 38.8590 176.0441 33 G 4.2095 8.3563 108.0774 43.2388 0.0000 172.5170 34 E 3.2934 8.6641 124.6594 57.1522 29.8756 175.0123 35 G 3.2292 6.1158 118.4139 46.2261 0.0000 174.6172 36 N 4.5285 7.2550 119.6270 52.2981 36.2336 176.7908 37 W 4.3844 7.1371 122.9053 59.7490 29.7240 178.1446 38 A 4.0407 8.1548 120.0777 55.2780 17.9187 179.3828 39 A 4.1048 8.0512 118.7443 55.3777 18.5121 179.8134 40 I 3.5645 7.7720 118.1273 64.6254 36.9918 178.7877 41 S 4.3033 8.4546 116.4014 61.3866 62.3833 176.7895 42 K 4.0575 7.9823 121.3752 59.7892 32.1808 178.4879 43 N 4.4607 8.2687 115.4342 55.4444 38.9803 175.6357 44 Y 3.9865 8.0047 117.3788 56.3852 38.9229 175.3736 45 P 4.2899 0.0000 0.0000 62.0580 30.2616 177.2414 46 F 4.4784 8.1381 118.5739 58.5562 38.9480 175.5027 47 V 4.2295 8.4543 126.0624 61.1200 32.8525 175.3603 48 N 4.7734 9.1596 125.9113 53.8413 37.2531 175.2898 49 R 3.8371 7.8089 116.5154 56.7137 30.5627 177.2822 50 T 4.3853 8.3560 113.7306 60.5292 71.7549 175.4375 51 A 4.1445 8.3476 123.5389 54.7279 18.3211 179.9224 52 V 3.5286 7.7562 116.3507 66.3461 31.6494 178.0026 53 M 4.1533 7.7789 117.3960 58.5120 31.8579 178.8636 54 I 3.4562 7.6913 119.7342 63.8830 37.0905 178.2433 55 K 2.0000 7.7189 120.7816 58.8140 31.8141 178.3002 56 D 4.0769 8.1868 118.3567 57.1606 41.1564 178.0018 57 R 3.9136 7.8639 120.8043 58.4784 29.7920 178.2542 58 W 4.3508 8.0972 128.3573 60.3904 30.6779 177.7756 59 R 3.6215 7.5094 118.8047 59.6052 29.4918 178.6205 60 T 3.7262 7.9240 109.8319 64.8752 68.7018 176.3609 61 M 3.8108 8.0362 121.8544 58.0092 31.9892 178.8445 62 K 3.4930 7.3664 118.6682 59.2303 31.8974 179.3482 63 R 3.7859 7.4559 117.7579 59.3123 30.1411 178.0010 64 L 4.1892 7.7913 115.9699 54.7034 41.9058 176.9084 65 G 3.7461 7.8622 106.9287 47.3953 0.0000 173.8685 66 M 4.7046 8.1499 115.2856 54.2149 32.7617 175.9193 67 N 4.5090 7.9640 121.4083 53.8690 39.1561 174.1410 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 G 8.35 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 2 S 8.63 4.04 0.00 3.96 3.84 0.00 0.00 0.00 0.00 0.00 0.00 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 H 9.16 4.24 0.00 3.07 3.31 0.00 5.79 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 M 7.45 4.34 0.00 1.91 1.78 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 2.41 2.43 0.00 5 E 9.63 4.11 0.00 1.95 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 2.34 2.25 0.00 6 D 7.79 4.51 0.00 2.54 2.59 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 7 S 7.81 4.71 0.00 3.84 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 T 8.32 3.99 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 1.22 0.00 0.00 9 T 7.63 4.28 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 10 N 8.55 4.72 0.00 2.85 2.94 0.00 0.00 6.14 7.79 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 11 I 7.73 4.33 1.92 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.72 0.94 0.00 0.00 12 T 7.94 4.03 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 13 K 7.83 4.09 0.00 1.88 1.85 0.00 1.72 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.40 1.41 7.81 14 K 9.12 3.56 0.00 1.88 1.84 0.00 1.86 0.00 0.00 1.66 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.31 1.42 7.81 15 Q 8.32 3.65 0.00 2.38 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.53 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 16 K 8.20 4.52 0.00 1.69 1.65 0.00 1.54 0.00 0.00 2.36 0.00 0.00 3.10 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.27 1.53 7.81 17 W 8.79 4.97 0.00 3.18 3.09 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 18 T 8.54 4.40 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 19 V 8.20 3.59 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.91 0.00 0.00 20 E 7.88 3.60 0.00 1.92 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 1.93 0.00 21 E 6.98 2.54 0.00 2.16 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 0.00 1.99 1.60 0.00 22 S 8.08 4.28 0.00 4.06 3.93 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 0.00 0.00 0.00 23 E 7.95 4.08 0.00 2.02 2.03 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 2.46 2.46 0.00 24 W 7.67 4.22 0.00 3.38 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.87 3.76 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 0.96 0.00 0.00 1.12 0.00 0.00 26 K 7.74 3.21 0.00 1.97 1.94 0.00 1.72 0.00 0.00 1.78 0.00 0.00 3.09 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.47 1.78 7.81 27 A 8.10 4.12 1.50 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 0.00 0.00 0.00 0.00 0.00 0.00 28 G 8.20 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 0.00 0.00 0.00 29 V 7.35 3.24 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 0.84 0.00 0.00 -0.14 0.00 0.00 30 Q 7.45 3.93 0.00 2.01 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.78 0.00 0.00 0.00 0.00 0.00 2.39 2.53 0.00 31 K 8.50 4.16 0.00 1.98 2.33 0.00 2.35 0.00 0.00 1.76 0.00 0.00 3.15 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.46 1.54 7.81 32 Y 8.58 4.19 0.00 2.88 2.92 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.36 4.21 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 0.00 0.00 0.00 34 E 8.66 3.29 0.00 1.96 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.85 0.00 35 G 6.12 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 0.00 0.00 0.00 36 N 7.25 4.53 0.00 2.67 2.80 0.00 0.00 7.07 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 W 7.14 4.38 0.00 3.39 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 38 A 8.15 4.04 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 39 A 8.05 4.10 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.77 3.56 1.99 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.56 0.79 0.00 0.00 41 S 8.45 4.30 0.00 4.05 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 42 K 7.98 4.06 0.00 1.97 2.06 0.00 1.86 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.66 7.81 43 N 8.27 4.46 0.00 3.07 2.86 0.00 0.00 7.79 7.17 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 44 Y 8.00 3.99 0.00 3.41 2.36 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 45 P 0.00 4.29 0.00 1.72 1.79 0.00 2.68 0.00 0.00 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.27 0.00 46 F 8.14 4.48 0.00 3.18 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 47 V 8.45 4.23 2.13 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 0.87 0.00 0.00 0.95 0.00 0.00 48 N 9.16 4.77 0.00 2.87 3.02 0.00 0.00 7.09 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 49 R 7.81 3.84 0.00 1.91 1.91 0.00 2.97 0.00 0.00 3.26 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.96 0.00 50 T 8.36 4.39 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 1.30 0.00 0.00 51 A 8.35 4.14 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 52 V 7.76 3.53 2.09 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 0.99 0.00 0.00 0.95 0.00 0.00 53 M 7.78 4.15 0.00 2.60 2.47 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 2.72 2.80 0.00 54 I 7.69 3.46 1.85 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.67 0.84 0.00 0.00 55 K 7.72 2.00 0.00 0.98 1.52 0.00 1.57 0.00 0.00 1.60 0.00 0.00 3.10 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.17 1.25 7.81 56 D 8.19 4.08 0.00 2.73 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.86 3.91 0.00 0.95 1.34 0.00 2.63 0.00 0.00 2.25 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.85 0.00 58 W 8.10 4.35 0.00 3.09 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 59 R 7.51 3.62 0.00 1.74 1.97 0.00 3.08 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 1.49 1.54 0.00 60 T 7.92 3.73 4.07 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 0.00 0.00 1.17 0.00 0.00 61 M 8.04 3.81 0.00 1.89 1.80 0.00 0.00 0.00 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.71 0.00 62 K 7.37 3.49 0.00 1.54 1.52 0.00 0.78 0.00 0.00 1.08 0.00 0.00 2.71 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.64 0.21 7.81 63 R 7.46 3.79 0.00 1.78 2.01 0.00 3.17 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 1.56 1.59 0.00 64 L 7.79 4.19 0.00 1.65 1.62 0.84 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 65 G 7.86 3.75 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 0.00 0.00 0.00 66 M 8.15 4.70 0.00 1.91 2.03 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.39 0.00 67 N 7.96 4.51 0.00 2.47 2.68 0.00 0.00 7.00 7.91 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