NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8345 8.3549 109.7362 45.2868 0.0000 173.3297 2 K 4.2323 8.3108 119.2665 52.3417 33.0519 174.9552 3 K 4.2785 8.2546 123.8457 56.0262 34.9597 176.6221 4 S 4.6113 8.0875 115.0077 56.9644 65.2047 174.6471 5 K 3.9921 8.4897 119.7954 59.3236 32.1435 178.4644 6 A 4.0947 7.8736 120.7155 55.4210 18.5402 179.1684 7 T 3.8004 7.9157 114.1402 66.9380 68.6424 176.3925 8 K 3.8780 8.0653 121.0324 59.4800 32.1230 178.6688 9 K 3.9158 7.8596 118.3742 59.6798 31.9586 179.4663 10 R 3.9108 7.9175 117.5017 59.3507 30.0923 178.7716 11 L 3.9551 8.0206 118.4866 57.8351 41.6315 179.5803 12 A 3.9447 8.0012 120.4989 54.9514 18.3828 179.4228 13 K 3.8223 7.9145 118.1068 59.8689 32.0643 178.7264 14 L 4.1907 7.9644 117.9820 58.1416 41.6223 178.8890 15 D 4.4594 8.0759 117.7984 57.0342 41.0724 177.9017 16 N 4.3580 7.9594 117.3599 56.6395 38.9056 176.6589 17 Q 4.2673 8.4189 117.3164 57.4483 28.6964 176.7271 18 N 4.8507 7.3858 118.0794 52.8153 39.5074 174.3437 19 S 4.5812 7.4539 113.9343 56.6199 65.0589 172.9507 20 R 4.4128 7.9317 119.9675 54.1238 31.4229 175.6536 21 V 3.4839 8.1159 122.3206 62.0081 31.8596 174.0897 22 P 4.1318 0.0000 0.0000 63.0814 31.0597 176.8821 23 A 3.9665 8.8244 122.8965 55.3047 18.0355 180.0136 24 W 4.2855 8.0982 114.5312 59.5047 28.4097 178.7012 25 V 3.2566 7.0213 119.3308 65.5543 30.7447 177.8226 26 M 3.9567 7.8011 118.2267 58.3068 31.9246 178.2352 27 L 3.9705 7.5765 118.1766 58.0077 41.7221 179.7036 28 K 4.0849 8.3013 118.1608 58.8773 32.1404 177.7276 29 T 4.4153 7.7454 107.1958 60.2413 69.3403 173.7984 30 D 4.2998 8.8168 119.8762 55.3864 39.2550 170.0190 31 E 3.6779 7.9025 123.8166 55.7074 30.3161 174.7953 *35 R 3.7907 8.3586 120.4590 56.1131 30.7892 174.9825 36 N 4.5600 8.2356 122.6513 52.1804 38.1914 174.8863 37 H 4.4314 8.4553 122.5893 57.3397 29.0527 176.5719 38 K 4.5439 7.8664 118.2474 55.8762 32.1922 176.5266 39 R 3.9964 7.5149 118.9420 56.4325 30.3341 176.2490 40 R 4.5390 8.4077 121.7984 54.6482 32.9247 173.6572 41 H 4.8898 8.5721 124.8167 54.0111 31.3670 175.5161 42 W 4.2518 8.6595 123.4478 59.4915 28.1903 177.3767 43 R 3.6812 6.2096 117.6043 58.4875 29.7539 177.5699 44 R 3.9052 7.7471 114.9721 58.4644 30.2854 176.1643 45 N 4.8781 7.6635 114.3870 51.9288 40.9037 173.3338 46 D 4.5068 8.1400 117.9871 53.7079 43.6495 175.5372 47 T 4.2352 8.3630 117.2449 61.1190 70.1285 172.9760 48 D 4.6205 8.1943 121.7530 53.7371 42.5693 176.8011 49 E 4.1668 8.6702 118.4240 57.0416 28.8634 174.9568 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 3.83 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 2 K 8.31 4.23 0.00 1.80 1.75 0.00 1.76 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.33 1.43 7.81 3 K 8.25 4.28 0.00 1.86 1.80 0.00 1.55 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.42 7.81 4 S 8.09 4.61 0.00 4.02 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 5 K 8.49 3.99 0.00 1.77 1.87 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.42 1.50 7.81 6 A 7.87 4.09 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 7 T 7.92 3.80 4.33 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 1.25 0.00 0.00 8 K 8.07 3.88 0.00 1.94 1.95 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.49 7.81 9 K 7.86 3.92 0.00 2.12 1.85 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.73 7.81 10 R 7.92 3.91 0.00 1.86 1.98 0.00 3.33 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.91 0.00 11 L 8.02 3.96 0.00 1.88 1.74 0.92 0.78 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 12 A 8.00 3.94 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 13 K 7.91 3.82 0.00 1.86 2.02 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.50 7.81 14 L 7.96 4.19 0.00 1.85 1.75 0.94 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 15 D 8.08 4.46 0.00 2.82 2.85 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 16 N 7.96 4.36 0.00 2.86 2.95 0.00 0.00 7.13 6.81 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 17 Q 8.42 4.27 0.00 2.16 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 7.13 0.00 0.00 0.00 0.00 0.00 2.40 2.59 0.00 18 N 7.39 4.85 0.00 2.94 2.93 0.00 0.00 7.09 7.46 0.00 0.00 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 S 7.45 4.58 0.00 4.01 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 20 R 7.93 4.41 0.00 1.77 1.83 0.00 3.22 0.00 0.00 3.13 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.55 0.00 21 V 8.12 3.48 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 0.68 0.00 0.00 0.83 0.00 0.00 22 P 0.00 4.13 0.00 1.55 2.12 0.00 3.52 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.66 0.00 23 A 8.82 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 24 W 8.10 4.29 0.00 3.56 3.33 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 25 V 7.02 3.26 1.71 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 0.77 0.00 0.00 -0.48 0.00 0.00 26 M 7.80 3.96 0.00 2.04 2.18 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.71 0.00 27 L 7.58 3.97 0.00 1.95 1.78 0.99 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 28 K 8.30 4.08 0.00 2.07 2.17 0.00 2.15 0.00 0.00 2.10 0.00 0.00 3.22 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.56 1.58 7.81 29 T 7.75 4.42 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 1.27 0.00 0.00 30 D 8.82 4.30 0.00 2.83 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 31 E 7.90 3.68 0.00 2.14 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 2.22 2.26 0.00 *35 R 8.36 3.79 0.00 1.72 1.66 0.00 3.22 0.00 0.00 3.15 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.59 0.00 36 N 8.24 4.56 0.00 2.65 2.68 0.00 0.00 7.18 7.89 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 37 H 8.46 4.43 0.00 3.16 3.34 0.00 5.92 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 K 7.87 4.54 0.00 1.88 1.80 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.39 7.81 39 R 7.51 4.00 0.00 1.78 1.88 0.00 3.08 0.00 0.00 3.14 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.82 0.00 40 R 8.41 4.54 0.00 1.73 1.79 0.00 3.25 0.00 0.00 3.17 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 41 H 8.57 4.89 0.00 3.19 3.04 0.00 5.93 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 W 8.66 4.25 0.00 3.52 3.12 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 43 R 6.21 3.68 0.00 0.67 1.20 0.00 2.45 0.00 0.00 2.88 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.16 0.00 44 R 7.75 3.91 0.00 1.77 1.91 0.00 3.33 0.00 0.00 3.12 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.49 0.00 45 N 7.66 4.88 0.00 2.90 2.78 0.00 0.00 6.75 7.52 0.00 0.00 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 D 8.14 4.51 0.00 2.58 2.50 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 47 T 8.36 4.24 4.26 0.00 0.00 0.00 0.00 0.00 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 48 D 8.19 4.62 0.00 2.69 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 8.67 4.17 0.00 2.09 2.16 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 2.17 2.27 0.00 * Residues marked with a * may have inaccurate shift predictions.