NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9348 8.3549 109.7362 45.1425 0.0000 173.7337 2 K 4.0738 8.4513 123.0100 53.8424 32.9145 174.5664 3 K 4.6305 8.1690 120.1864 54.9294 36.5626 175.4717 4 S 4.7195 8.0093 114.1792 56.5627 66.2359 174.8423 5 K 3.9035 8.5101 122.2657 59.4892 32.0086 178.3423 6 A 4.0944 7.8795 120.6279 55.4903 18.5016 179.2620 7 T 3.8084 7.8020 113.7804 66.9343 68.3825 176.6771 8 K 4.0968 8.2469 120.9435 59.0005 32.0047 178.9607 9 K 4.1147 8.2775 119.3898 59.1118 32.1216 179.2358 10 R 3.9173 7.9277 117.8216 59.3912 30.0050 178.8903 11 L 3.9667 8.4059 118.8412 57.6772 41.5649 179.5245 12 A 3.9744 7.5797 119.3589 54.9136 18.2843 179.5815 13 K 3.8413 8.2722 118.3227 59.8139 32.1465 178.9023 14 L 3.9438 7.9431 117.9345 57.7193 41.6254 178.4826 15 D 4.5497 7.8252 117.1463 56.3823 41.2236 177.8680 16 N 4.3533 8.0979 117.9103 56.6032 38.7702 176.9370 17 Q 4.1333 8.1731 118.5835 58.2644 28.7035 176.5213 18 N 4.7206 7.5014 117.7389 53.6039 38.6731 174.4399 19 S 4.7683 7.3783 110.8376 55.8875 65.1982 173.7828 20 R 4.1182 8.0975 121.2042 55.3923 30.6559 176.2052 21 V 3.5588 8.0817 122.6408 61.6870 32.1562 174.0318 22 P 4.0338 0.0000 0.0000 63.0918 31.0278 176.9434 23 A 4.0286 8.7601 124.5715 54.7461 18.9251 179.4984 24 W 4.2165 8.0043 113.6401 59.5429 28.5370 178.7309 25 V 3.2512 6.5438 118.6527 65.3905 30.6818 177.7276 26 M 3.9534 7.3232 118.4706 58.6808 31.8257 178.7373 27 L 4.0778 7.8837 118.2649 57.5618 41.6319 179.4156 28 K 4.1811 8.0050 119.1136 59.1531 32.3108 178.2211 29 T 4.2374 7.9253 107.5383 61.1304 69.3048 174.3994 30 D 4.3290 8.1704 118.9485 55.3172 39.0584 170.9161 31 R 3.8724 7.7101 122.6242 55.8022 30.6326 176.3358 *35 R 3.7399 8.3285 120.8042 56.1125 30.1465 174.5039 36 N 4.5310 8.3834 125.2333 52.5232 38.4182 174.2715 37 H 4.6133 8.5014 122.0412 56.7215 29.0352 175.9537 38 K 4.5991 7.5517 118.2568 55.8311 32.7159 177.1410 39 R 4.0296 8.1384 118.7237 55.7756 29.9929 176.7501 40 R 4.3902 8.3374 124.6243 54.5077 30.3976 175.2019 41 H 4.6100 8.4543 125.7011 55.3258 30.8938 176.2176 42 W 4.1934 8.3879 121.6045 59.7182 28.4121 177.8118 43 R 3.7040 6.1503 117.9992 58.6661 29.7359 177.4632 44 R 3.9006 7.7441 115.2633 58.6790 30.1749 176.7724 45 N 4.8738 7.4410 113.1651 51.5587 40.6437 173.6640 46 D 4.7478 8.1605 118.0075 52.7637 44.0233 175.5697 47 T 4.3118 8.3327 116.6754 61.0126 70.9801 173.4336 48 D 4.6244 8.3265 121.0865 54.6491 42.3153 176.5031 49 E 4.1202 8.6272 118.6151 57.0295 29.0326 174.8165 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 K 8.45 4.07 0.00 1.84 1.74 0.00 1.70 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.43 7.81 3 K 8.17 4.63 0.00 1.81 1.76 0.00 1.54 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.28 1.37 7.81 4 S 8.01 4.72 0.00 4.05 4.02 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 0.00 0.00 0.00 5 K 8.51 3.90 0.00 1.77 1.88 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.08 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.42 1.51 7.81 6 A 7.88 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 7.80 3.81 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 1.24 0.00 0.00 8 K 8.25 4.10 0.00 1.98 1.94 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.48 7.81 9 K 8.28 4.11 0.00 2.00 1.83 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.71 7.81 10 R 7.93 3.92 0.00 2.02 1.99 0.00 3.14 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 1.73 1.73 0.00 11 L 8.41 3.97 0.00 1.72 1.72 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 12 A 7.58 3.97 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 13 K 8.27 3.84 0.00 1.83 1.96 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.49 7.81 14 L 7.94 3.94 0.00 1.93 1.76 0.93 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 15 D 7.83 4.55 0.00 2.88 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 8.10 4.35 0.00 3.00 2.80 0.00 0.00 7.11 6.88 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 17 Q 8.17 4.13 0.00 2.07 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 7.30 0.00 0.00 0.00 0.00 0.00 2.40 2.57 0.00 18 N 7.50 4.72 0.00 2.83 3.01 0.00 0.00 7.08 7.49 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 19 S 7.38 4.77 0.00 3.96 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 20 R 8.10 4.12 0.00 1.78 1.84 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 1.55 1.57 0.00 21 V 8.08 3.56 1.96 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 0.67 0.00 0.00 0.83 0.00 0.00 22 P 0.00 4.03 0.00 1.19 2.08 0.00 3.52 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.57 0.00 23 A 8.76 4.03 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 24 W 8.00 4.22 0.00 3.60 3.36 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 25 V 6.54 3.25 1.63 0.00 0.00 0.00 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 -0.53 0.00 0.00 26 M 7.32 3.95 0.00 2.10 2.36 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 2.57 2.76 0.00 27 L 7.88 4.08 0.00 1.78 1.77 1.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 28 K 8.01 4.18 0.00 2.05 1.96 0.00 2.11 0.00 0.00 2.06 0.00 0.00 3.17 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.56 1.55 7.81 29 T 7.93 4.24 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 8.17 4.33 0.00 2.90 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 7.71 3.87 0.00 2.00 1.99 0.00 3.19 0.00 0.00 3.14 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.55 0.00 *35 R 8.33 3.74 0.00 1.73 1.73 0.00 3.23 0.00 0.00 3.20 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.58 0.00 36 N 8.38 4.53 0.00 2.65 2.69 0.00 0.00 7.28 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 8.50 4.61 0.00 3.16 3.31 0.00 5.89 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 K 7.55 4.60 0.00 1.74 1.77 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.37 1.38 7.81 39 R 8.14 4.03 0.00 1.80 1.90 0.00 3.16 0.00 0.00 3.14 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.79 0.00 40 R 8.34 4.39 0.00 1.77 1.88 0.00 3.27 0.00 0.00 3.17 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 41 H 8.45 4.61 0.00 3.18 3.06 0.00 5.92 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 W 8.39 4.19 0.00 3.51 3.10 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 0.00 0.00 0.00 43 R 6.15 3.70 0.00 0.67 1.03 0.00 2.63 0.00 0.00 2.94 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.30 0.00 44 R 7.74 3.90 0.00 1.77 1.91 0.00 3.33 0.00 0.00 3.12 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.48 0.00 45 N 7.44 4.87 0.00 2.96 2.75 0.00 0.00 6.75 7.84 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 46 D 8.16 4.75 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 8.33 4.31 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 8.33 4.62 0.00 2.69 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 49 E 8.63 4.12 0.00 2.15 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 2.19 2.29 0.00 * Residues marked with a * may have inaccurate shift predictions.