NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8790 8.3549 109.7368 45.2251 0.0000 173.0487 2 K 4.2073 8.5332 124.1298 52.8905 33.0466 174.8683 3 K 4.3617 8.3143 123.8439 56.0293 35.1129 176.9972 4 S 4.6908 8.0314 115.7390 57.0365 66.7428 174.5318 5 K 3.9150 8.3917 120.5899 59.9235 31.9769 179.0064 6 A 3.9750 7.8998 120.5623 55.5812 18.4309 179.4864 7 T 3.8191 7.5366 113.0490 66.5972 68.4098 176.7611 8 K 3.9762 7.7728 121.7674 59.3556 32.1298 179.0635 9 K 4.0017 7.9687 118.8144 59.3846 31.8710 179.6335 10 R 3.9710 8.1756 118.3578 59.3949 29.9675 179.0820 11 L 4.0651 7.7762 116.9349 57.4571 41.5596 179.3883 12 A 4.1285 7.9961 121.2042 54.9946 18.3883 179.5935 13 K 3.9244 7.8038 118.2493 59.6183 31.8506 179.0421 14 L 4.1930 8.0071 119.1262 57.5321 41.2988 178.8109 15 D 4.1717 7.7777 118.0240 56.8007 40.8804 177.6003 16 N 4.5396 8.2374 116.3059 55.1872 38.5142 176.7505 17 Q 4.2082 7.3770 117.9304 57.2610 29.0015 176.4259 18 N 4.6872 7.4391 117.3658 52.7879 39.4551 174.4054 19 S 4.5310 7.0608 114.9236 57.6202 64.0520 174.2640 20 R 4.0233 8.1922 123.8647 55.7224 30.5882 176.1496 21 V 3.6175 8.0205 121.9966 61.4895 31.9875 174.1420 22 P 4.2084 0.0000 0.0000 62.6496 31.2589 176.8757 23 A 3.9882 8.8214 123.5676 55.4005 18.6939 179.7725 24 W 4.1567 8.0570 112.8148 59.2571 28.5047 178.7403 25 V 3.3844 7.1474 119.2199 65.7141 30.7033 177.9166 26 M 4.0642 7.4599 118.5869 58.1171 31.6265 178.2353 27 L 4.2174 7.7900 116.8245 56.2916 42.1351 178.2075 28 K 4.3219 7.7186 118.8379 58.3649 32.7503 177.6835 29 T 4.1800 7.9401 107.3615 60.9408 70.4012 173.9235 30 D 4.2712 8.6793 120.4623 55.5906 38.0294 170.1855 31 R 3.6126 8.2694 124.6241 55.4823 31.4835 177.0977 *35 R 3.8887 8.4013 119.9817 56.0383 30.7345 174.2641 36 N 4.6165 8.4976 121.9273 52.3881 39.9313 174.2418 37 H 4.7319 8.5663 121.7589 56.3346 29.6465 175.6148 38 K 4.5018 7.6079 118.7413 55.9236 32.3044 176.6378 39 R 3.9545 8.0628 118.8246 56.6107 29.7621 176.0947 40 R 4.6400 8.4161 123.1069 54.4441 32.7536 174.2071 41 H 5.1173 8.3851 123.3266 53.8387 32.1749 174.9191 42 W 4.4541 8.7685 121.4943 58.2123 28.6481 176.4504 43 R 4.0303 6.6527 117.1907 57.8522 30.8188 177.2479 44 R 3.9038 7.4421 114.6151 58.1422 30.2765 176.2563 45 N 4.9072 7.3495 112.7822 51.3533 40.9115 173.3135 46 D 4.8369 8.2775 117.9678 52.7987 44.0434 175.1723 47 T 4.5331 8.2161 116.5751 60.4833 71.3560 173.4410 48 D 4.6067 7.6239 121.2045 54.1731 42.2513 176.5810 49 E 4.1197 8.5957 118.4965 57.2107 29.4656 174.8100 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 3.88 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 2 K 8.53 4.21 0.00 1.83 1.76 0.00 1.76 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.43 7.81 3 K 8.31 4.36 0.00 1.86 1.80 0.00 1.56 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.37 1.42 7.81 4 S 8.03 4.69 0.00 4.06 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 0.00 5 K 8.39 3.91 0.00 1.84 1.84 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.51 1.50 7.81 6 A 7.90 3.97 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 7.54 3.82 4.46 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 0.00 0.00 0.00 1.22 0.00 0.00 8 K 7.77 3.98 0.00 1.93 1.97 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.47 7.81 9 K 7.97 4.00 0.00 2.05 1.85 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.62 7.81 10 R 8.18 3.97 0.00 2.02 1.97 0.00 3.28 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.79 0.00 11 L 7.78 4.07 0.00 1.64 1.75 0.93 0.89 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 12 A 8.00 4.13 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 13 K 7.80 3.92 0.00 1.82 1.96 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.49 7.81 14 L 8.01 4.19 0.00 1.93 1.73 0.94 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 15 D 7.78 4.17 0.00 2.91 2.82 0.00 0.00 0.00 0.00 0.00 0.00 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 8.24 4.54 0.00 2.97 2.85 0.00 0.00 6.94 6.93 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 17 Q 7.38 4.21 0.00 2.15 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 7.06 0.00 0.00 0.00 0.00 0.00 2.40 2.54 0.00 18 N 7.44 4.69 0.00 2.75 2.86 0.00 0.00 7.15 7.70 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 19 S 7.06 4.53 0.00 3.97 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 20 R 8.19 4.02 0.00 1.75 1.80 0.00 3.21 0.00 0.00 3.13 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.57 0.00 21 V 8.02 3.62 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 0.69 0.00 0.00 0.83 0.00 0.00 22 P 0.00 4.21 0.00 1.92 2.17 0.00 3.52 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.74 0.00 23 A 8.82 3.99 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 8.06 4.16 0.00 3.61 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 25 V 7.15 3.38 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 0.78 0.00 0.00 -0.37 0.00 0.00 26 M 7.46 4.06 0.00 1.87 2.21 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 2.57 2.63 0.00 27 L 7.79 4.22 0.00 1.85 1.78 0.99 0.87 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 28 K 7.72 4.32 0.00 2.16 1.93 0.00 2.17 0.00 0.00 1.99 0.00 0.00 3.19 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.50 1.56 7.81 29 T 7.94 4.18 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 1.24 0.00 0.00 30 D 8.68 4.27 0.00 2.84 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 R 8.27 3.61 0.00 1.93 1.94 0.00 3.19 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 *35 R 8.40 3.89 0.00 1.79 1.84 0.00 3.22 0.00 0.00 3.20 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.61 0.00 36 N 8.50 4.62 0.00 2.59 2.65 0.00 0.00 7.20 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 8.57 4.73 0.00 3.15 3.32 0.00 5.92 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 K 7.61 4.50 0.00 1.70 1.81 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.39 7.81 39 R 8.06 3.95 0.00 1.79 1.90 0.00 3.18 0.00 0.00 3.13 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.72 0.00 40 R 8.42 4.64 0.00 1.75 1.80 0.00 3.22 0.00 0.00 3.17 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 41 H 8.39 5.12 0.00 3.14 2.99 0.00 5.92 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 W 8.77 4.45 0.00 3.55 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 43 R 6.65 4.03 0.00 0.67 1.19 0.00 2.38 0.00 0.00 2.83 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.00 0.00 44 R 7.44 3.90 0.00 1.79 1.92 0.00 3.34 0.00 0.00 3.13 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.56 0.00 45 N 7.35 4.91 0.00 2.93 2.74 0.00 0.00 6.69 7.94 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 46 D 8.28 4.84 0.00 2.57 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 47 T 8.22 4.53 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 7.62 4.61 0.00 2.83 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 49 E 8.60 4.12 0.00 2.13 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 2.21 2.29 0.00 * Residues marked with a * may have inaccurate shift predictions.