NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.4461 8.3049 120.3269 55.6952 33.0294 175.9472 1 R 4.0639 7.7950 124.2751 52.1832 28.7799 174.8161 2 K 4.1164 8.2534 116.1868 57.5094 36.9050 174.5756 3 R 3.5303 8.4657 125.7478 57.4818 28.1160 176.1242 4 G 3.9429 8.4454 112.3225 49.9843 0.0000 174.5135 5 R 3.5925 6.7441 118.7700 57.0588 31.3761 176.5526 6 Q 4.2833 7.8826 119.0700 55.7663 30.7439 171.9828 7 T 4.0437 8.1909 119.5782 62.6632 68.3906 174.5939 8 Y 4.5165 8.5962 126.0670 57.5529 37.9461 175.8542 9 T 4.3072 8.8659 115.8575 61.4404 69.9837 176.1875 10 R 3.5552 7.8545 122.2939 59.0872 30.7121 177.3119 11 Y 4.1539 8.2400 118.8762 61.0915 38.8661 178.6141 12 Q 3.6476 8.2193 118.4204 59.3960 28.8258 179.0018 13 T 3.7708 7.8747 115.7347 66.6513 68.2498 175.7008 14 L 4.0580 8.0049 122.4871 57.5193 41.5800 179.0441 15 E 3.8773 7.7871 117.2577 59.3287 29.7280 179.1823 16 L 3.6105 7.3377 119.6426 57.3961 41.3540 179.2119 17 E 4.1366 7.6758 118.4892 59.4255 29.5006 179.6109 18 K 4.0281 7.6853 118.4053 59.5610 32.1222 178.8543 19 E 4.0488 8.5632 119.1803 59.7167 29.2618 178.9966 20 F 4.2328 8.3463 119.6149 61.8921 39.4329 176.2343 21 H 4.4218 8.6550 116.6425 59.5757 29.6998 176.6099 22 F 4.2743 8.0663 120.4587 59.9635 39.6299 175.1031 23 N 4.6455 8.4482 118.2088 52.0292 37.9786 174.5257 24 R 3.7053 8.2968 123.3845 59.4127 30.3746 177.4945 25 Y 4.0523 8.0348 114.5128 57.9337 38.2651 175.3419 26 L 4.7037 8.0736 124.6152 52.6552 44.0972 176.5821 27 T 3.8732 8.5503 119.5946 63.9485 68.5194 174.4626 28 R 3.5053 7.9893 123.4424 60.6404 31.2531 177.1860 29 R 4.2733 7.7973 114.8066 57.1177 30.4625 178.5132 30 R 3.9855 8.1237 120.5519 59.2792 29.9614 178.2526 31 R 3.8272 8.1049 118.1783 59.4217 30.0773 178.8445 32 I 3.7104 7.7111 118.6908 64.5208 37.1814 178.0632 33 E 3.9854 7.6711 117.8894 59.4353 29.2611 179.3835 34 I 3.6561 7.7641 119.4802 64.4829 37.1722 178.0199 35 A 4.0071 8.0786 121.5052 55.7339 18.1985 179.5302 36 H 3.9222 8.4670 114.0526 59.0459 28.6825 177.6275 37 A 4.0469 7.8173 121.0847 54.8229 18.2106 178.6857 38 L 4.4830 7.9352 114.0095 53.4603 43.7422 176.1499 39 S 3.6791 7.8887 113.4790 59.9743 60.0400 169.1029 40 L 4.9647 8.0461 119.9975 53.1525 45.3814 176.3718 41 T 4.6507 8.3389 108.3007 60.2106 71.1500 175.0270 42 E 3.9039 9.0844 123.3593 60.3710 29.3641 179.6238 43 R 3.8161 8.0310 117.4005 60.1272 30.1334 178.0581 44 Q 4.2022 8.3911 117.5413 59.0493 27.9581 178.8910 45 I 4.0423 7.8628 120.2684 63.8306 37.2248 178.2239 46 K 3.9011 8.0939 119.9307 59.4228 31.9559 179.1396 47 I 3.7386 8.2558 119.9913 64.3343 37.1625 178.0555 48 W 4.0578 8.7370 129.3885 60.7641 30.4181 178.0415 49 F 4.4582 8.4031 114.1430 60.7218 38.3687 177.1664 50 Q 3.9435 8.7922 119.5366 59.3645 28.5214 177.6994 51 N 4.1650 8.6008 118.0579 57.0114 38.8542 176.5892 52 R 3.5597 7.6056 118.8870 59.3351 29.9800 178.8368 53 R 4.1054 8.5617 117.7995 60.0289 29.5818 178.4781 54 M 3.9893 8.3905 118.2440 58.8171 32.0253 179.0038 55 K 3.9354 7.9234 118.6446 59.4271 32.4569 178.4293 56 W 4.3556 8.5731 129.1600 60.6523 30.2276 177.5859 57 K 3.7694 8.5957 118.5297 59.6266 31.7781 178.3907 58 K 4.0241 7.2638 117.4941 59.5867 32.0491 178.9226 59 E 4.0808 7.7730 117.7431 58.5216 30.9434 178.3894 60 N 4.3520 7.6433 118.1548 51.6236 35.3500 175.4622 61 K 3.6569 7.4053 122.4350 58.9617 32.0577 177.8984 62 T 4.2951 7.0449 109.9829 60.8518 68.1127 173.9325 63 K 4.1303 7.3949 123.9733 57.6622 33.7044 176.9897 64 G 4.2602 8.3113 111.3572 46.5974 0.0000 173.7992 65 E 3.6053 7.5837 118.8389 54.2873 29.6066 174.6788 66 P 4.0624 0.0000 0.0000 63.3344 31.8414 176.4675 67 G 3.6798 9.0327 110.8895 45.4101 0.0000 173.3226 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 0 M 8.30 4.45 0.00 2.01 2.11 0.00 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.63 0.00 1 R 7.80 4.06 0.00 1.89 1.91 0.00 3.45 0.00 0.00 3.19 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 2 K 8.25 4.12 0.00 1.71 1.70 0.00 1.90 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.20 1.24 7.81 3 R 8.47 3.53 0.00 2.02 1.96 0.00 3.32 0.00 0.00 3.34 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.70 0.00 4 G 8.45 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 R 6.74 3.59 0.00 1.78 1.85 0.00 3.27 0.00 0.00 3.15 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.66 0.00 6 Q 7.88 4.28 0.00 1.77 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.62 0.00 0.00 0.00 0.00 0.00 1.48 1.83 0.00 7 T 8.19 4.04 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 1.29 0.00 0.00 8 Y 8.60 4.52 0.00 3.05 2.84 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 9 T 8.87 4.31 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 1.26 0.00 0.00 10 R 7.85 3.56 0.00 1.97 1.94 0.00 3.24 0.00 0.00 3.31 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.79 0.00 11 Y 8.24 4.15 0.00 3.08 2.96 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 12 Q 8.22 3.65 0.00 2.30 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.65 0.00 0.00 0.00 0.00 0.00 2.51 2.59 0.00 13 T 7.87 3.77 4.35 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 14 L 8.00 4.06 0.00 1.69 1.53 0.95 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 15 E 7.79 3.88 0.00 2.05 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 1.99 2.08 0.00 16 L 7.34 3.61 0.00 0.66 0.13 -0.05 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 17 E 7.68 4.14 0.00 2.27 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.63 0.00 18 K 7.69 4.03 0.00 1.88 1.88 0.00 1.67 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.55 7.81 19 E 8.56 4.05 0.00 2.21 2.32 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 2.46 2.55 0.00 20 F 8.35 4.23 0.00 2.94 3.27 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 21 H 8.66 4.42 0.00 3.43 3.68 0.00 5.81 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 F 8.07 4.27 0.00 3.18 3.26 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 0.00 23 N 8.45 4.65 0.00 3.03 2.99 0.00 0.00 7.63 7.95 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 24 R 8.30 3.71 0.00 1.58 1.55 0.00 2.41 0.00 0.00 2.25 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.65 0.00 25 Y 8.03 4.05 0.00 2.76 2.83 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 26 L 8.07 4.70 0.00 1.38 1.46 0.67 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 27 T 8.55 3.87 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 28 R 7.99 3.51 0.00 1.84 1.82 0.00 3.17 0.00 0.00 3.33 7.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.70 0.00 29 R 7.80 4.27 0.00 1.88 1.93 0.00 3.18 0.00 0.00 3.26 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.67 0.00 30 R 8.12 3.99 0.00 1.92 1.92 0.00 3.24 0.00 0.00 3.15 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.80 0.00 31 R 8.10 3.83 0.00 1.90 1.93 0.00 3.22 0.00 0.00 2.88 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.76 0.00 32 I 7.71 3.71 2.06 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 1.70 0.78 0.93 0.00 0.00 33 E 7.67 3.99 0.00 2.20 2.00 0.00 0.00 0.00 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 2.57 0.00 34 I 7.76 3.66 2.01 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.84 0.93 0.00 0.00 35 A 8.08 4.01 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 36 H 8.47 3.92 0.00 3.22 3.39 0.00 5.65 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 A 7.82 4.05 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 38 L 7.94 4.48 0.00 1.61 1.72 0.75 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 39 S 7.89 3.68 0.00 4.09 3.95 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 0.00 0.00 0.00 40 L 8.05 4.96 0.00 1.63 1.77 1.05 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 41 T 8.34 4.65 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 1.21 0.00 0.00 42 E 9.08 3.90 0.00 2.04 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 0.00 2.43 2.43 0.00 43 R 8.03 3.82 0.00 1.90 1.97 0.00 3.20 0.00 0.00 3.36 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.82 0.00 44 Q 8.39 4.20 0.00 2.43 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.53 0.00 0.00 0.00 0.00 0.00 2.45 2.46 0.00 45 I 7.86 4.04 1.88 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.35 0.91 0.00 0.00 46 K 8.09 3.90 0.00 1.98 1.87 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.69 7.81 47 I 8.26 3.74 2.08 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.88 1.05 0.00 0.00 48 W 8.74 4.06 0.00 3.28 3.25 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 0.00 49 F 8.40 4.46 0.00 3.35 3.20 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.79 3.94 0.00 2.21 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.74 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 51 N 8.60 4.17 0.00 2.70 2.90 0.00 0.00 7.28 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 52 R 7.61 3.56 0.00 1.46 1.01 0.00 2.33 0.00 0.00 2.25 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.80 0.00 53 R 8.56 4.11 0.00 2.04 2.04 0.00 2.99 0.00 0.00 2.82 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.98 0.00 54 M 8.39 3.99 0.00 2.09 2.41 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.65 0.00 55 K 7.92 3.94 0.00 1.84 1.79 0.00 1.55 0.00 0.00 1.56 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.60 7.81 56 W 8.57 4.36 0.00 3.44 3.45 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.60 3.77 0.00 2.05 2.06 0.00 1.95 0.00 0.00 1.84 0.00 0.00 3.13 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.58 7.81 58 K 7.26 4.02 0.00 2.09 1.84 0.00 1.66 0.00 0.00 1.87 0.00 0.00 3.14 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.48 1.53 7.81 59 E 7.77 4.08 0.00 1.87 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 2.30 2.45 0.00 60 N 7.64 4.35 0.00 2.42 2.15 0.00 0.00 6.13 5.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 K 7.41 3.66 0.00 1.94 1.87 0.00 1.50 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.19 1.29 7.81 62 T 7.04 4.30 4.16 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 1.09 0.00 0.00 63 K 7.39 4.13 0.00 1.74 1.80 0.00 1.78 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.41 1.40 7.81 64 G 8.31 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 0.00 0.00 0.00 0.00 65 E 7.58 3.61 0.00 2.03 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.45 0.00 66 P 0.00 4.06 0.00 2.07 2.03 0.00 3.72 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 67 G 9.03 3.68 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 0.00 0.00 0.00