NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.0745 8.2549 119.6830 56.3293 30.6385 175.4217 2 P 3.0692 0.0000 0.0000 61.5443 32.6945 175.0633 3 D 5.4404 7.2787 128.7564 55.8364 40.8994 179.2344 4 F 4.4027 7.1735 114.6596 59.6804 38.3258 177.9415 5 C 4.7107 7.9686 118.2405 60.1411 40.0215 174.9065 6 L 4.0630 7.6082 117.2549 56.4998 41.4746 177.2240 7 E 4.3172 8.3183 119.7737 54.7504 30.1357 175.0247 8 P 4.4267 0.0000 0.0000 61.6385 32.0587 174.4171 9 P 3.7396 0.0000 0.0000 62.7745 31.4724 174.9304 10 Y 4.8675 8.0502 121.4032 56.3502 41.4524 174.8269 11 T 4.4299 8.2092 121.7700 64.4666 70.2141 175.2674 12 G 3.4416 6.8889 104.7537 43.8017 0.0000 170.6615 13 P 4.3932 0.0000 0.0000 64.5519 31.8493 177.9614 14 C 4.5236 7.8766 114.1648 57.0310 40.6440 173.0233 15 K 4.4506 8.0569 118.7922 56.0692 32.8591 177.1209 16 A 4.2413 7.6219 123.5827 52.4359 20.7398 179.1565 17 R 4.5324 8.2958 109.7943 55.8332 31.3368 174.9395 18 I 4.5438 8.4137 124.3466 58.9546 40.6670 174.4041 19 I 4.7504 8.2920 126.1565 60.0693 38.4524 175.0248 20 R 4.8955 8.2034 125.4670 54.5432 34.5126 174.1004 21 Y 5.9040 9.0073 117.7132 56.6375 40.7919 175.2521 22 F 5.6014 9.4955 117.7091 55.0311 41.5553 173.4049 23 Y 4.2934 9.2600 123.7969 57.5621 39.0600 174.8216 24 N 3.9829 7.4791 125.7737 53.7600 39.1533 173.7314 25 A 4.1142 9.0558 130.3549 54.5989 19.1479 178.5446 26 K 4.3148 8.0576 118.6463 54.4662 32.1298 177.5795 27 A 4.2498 7.0941 117.1994 52.7603 21.9208 177.6721 28 G 3.9589 8.1836 111.8472 41.9413 0.0000 173.5550 29 L 4.3714 6.2921 121.5846 56.4267 44.4883 173.5780 30 C 5.1522 8.6717 115.2901 56.0553 42.8089 173.9395 31 Q 4.5861 7.8709 122.9016 54.4506 31.5282 174.7413 32 T 5.4342 8.1593 110.6569 61.0466 71.5006 173.1844 33 F 4.9122 8.9578 116.5583 56.5564 41.9578 172.3615 34 V 4.6448 8.4694 118.7749 61.4789 32.6360 174.0818 35 Y 4.8292 8.8269 129.9341 56.1774 40.1436 176.3561 36 G 3.3825 9.0323 114.2925 47.6649 0.0000 174.9864 37 G 3.6736 6.9757 108.6152 44.9188 0.0000 172.5000 38 C 4.9307 6.5190 111.2128 54.5563 44.7283 173.1367 39 R 3.6917 8.8853 119.0281 57.4811 27.1763 175.5025 40 A 4.4632 8.1453 119.1103 51.9222 19.5848 177.2220 41 K 4.5564 7.6899 117.4986 54.7752 35.2527 178.8528 42 R 3.1617 7.8342 121.6315 58.8596 30.1900 176.4639 43 N 4.1362 6.8352 117.7944 51.1353 37.2368 171.9665 44 N 4.3519 6.1866 115.3677 52.6675 40.7971 173.4227 45 F 5.0250 8.9204 125.1599 55.3830 42.0037 176.7607 46 K 4.0435 8.6426 122.8191 58.4003 32.5550 176.1941 47 S 3.7015 7.3177 111.2926 55.7084 65.8026 175.0292 48 A 4.3360 8.5127 121.9016 55.8706 17.9319 178.2330 49 E 3.8055 8.5551 116.4528 58.7173 29.2755 178.2907 50 D 4.4220 7.6142 117.1383 57.8653 41.5464 178.3226 51 C 2.0000 7.7035 118.3947 59.4908 43.2310 175.7398 52 M 4.2348 7.6457 119.8780 58.0504 31.8462 178.4498 53 R 3.8561 8.1465 118.6223 59.2160 30.1542 177.3012 54 T 4.2951 7.5756 113.3992 63.9752 70.2463 173.9512 55 C 4.3967 7.7747 118.3917 56.0840 42.1202 174.4448 56 G 3.8731 8.0859 111.5575 45.7103 0.0000 173.0897 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 R 8.25 4.07 0.00 1.68 1.72 0.00 2.77 0.00 0.00 3.01 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.49 0.00 2 P 0.00 3.07 0.00 0.82 0.96 0.00 3.44 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.88 0.00 3 D 7.28 5.44 0.00 2.76 2.79 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 0.00 0.00 0.00 0.00 4 F 7.17 4.40 0.00 3.10 3.35 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 0.00 5 C 7.97 4.71 0.00 2.93 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 6 L 7.61 4.06 0.00 1.87 1.78 0.91 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 7 E 8.32 4.32 0.00 2.20 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.45 0.00 8 P 0.00 4.43 0.00 2.10 2.04 0.00 3.78 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 1.97 1.95 0.00 9 P 0.00 3.74 0.00 0.49 0.49 0.00 3.34 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.44 0.00 10 Y 8.05 4.87 0.00 2.73 2.87 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 0.00 0.00 0.00 11 T 8.21 4.43 4.09 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 1.16 0.00 0.00 12 G 6.89 3.44 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 0.00 13 P 0.00 4.39 0.00 2.03 2.10 0.00 3.67 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 14 C 7.88 4.52 0.00 2.82 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 15 K 8.06 4.45 0.00 1.64 1.71 0.00 1.71 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.26 1.33 7.81 16 A 7.62 4.24 1.16 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 0.00 0.00 17 R 8.30 4.53 0.00 1.74 1.76 0.00 3.35 0.00 0.00 3.20 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.58 0.00 18 I 8.41 4.54 1.95 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.57 0.95 0.00 0.00 19 I 8.29 4.75 1.95 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.86 0.98 0.00 0.00 20 R 8.20 4.90 0.00 1.16 1.98 0.00 3.26 0.00 0.00 3.09 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.71 0.00 21 Y 9.01 5.90 0.00 3.12 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 22 F 9.50 5.60 0.00 3.01 2.91 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 0.00 0.00 0.00 0.00 23 Y 9.26 4.29 0.00 3.18 3.14 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.48 3.98 0.00 2.34 2.32 0.00 0.00 7.23 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 25 A 9.06 4.11 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.06 4.31 0.00 1.87 1.90 0.00 1.63 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.44 7.81 27 A 7.09 4.25 1.06 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 0.00 0.00 28 G 8.18 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 0.00 0.00 0.00 29 L 6.29 4.37 0.00 1.74 1.74 0.84 0.40 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 30 C 8.67 5.15 0.00 2.88 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 31 Q 7.87 4.59 0.00 1.59 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.69 0.00 0.00 0.00 0.00 0.00 2.13 1.94 0.00 32 T 8.16 5.43 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 33 F 8.96 4.91 0.00 3.07 3.08 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 0.00 0.00 0.00 0.00 34 V 8.47 4.64 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 0.74 0.00 0.00 0.93 0.00 0.00 35 Y 8.83 4.83 0.00 2.76 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.03 3.38 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 0.00 37 G 6.98 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 6.52 4.93 0.00 3.03 2.93 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 39 R 8.89 3.69 0.00 2.08 2.29 0.00 3.43 0.00 0.00 3.33 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 40 A 8.15 4.46 0.83 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 41 K 7.69 4.56 0.00 1.68 1.50 0.00 1.30 0.00 0.00 1.57 0.00 0.00 2.46 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.21 1.24 7.81 42 R 7.83 3.16 0.00 1.15 0.66 0.00 2.77 0.00 0.00 2.85 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.46 0.00 43 N 6.84 4.14 0.00 3.03 2.75 0.00 0.00 7.00 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 N 6.19 4.35 0.00 2.59 2.33 0.00 0.00 7.11 7.02 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 45 F 8.92 5.02 0.00 3.26 2.93 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 46 K 8.64 4.04 0.00 1.67 1.82 0.00 1.62 0.00 0.00 1.72 0.00 0.00 3.07 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.40 7.81 47 S 7.32 3.70 0.00 3.86 3.74 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 0.00 0.00 0.00 0.00 48 A 8.51 4.34 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.56 3.81 0.00 2.07 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.43 0.00 50 D 7.61 4.42 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 51 C 7.70 2.00 0.00 3.15 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 M 7.65 4.23 0.00 2.02 2.19 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 2.65 2.79 0.00 53 R 8.15 3.86 0.00 1.73 1.98 0.00 3.26 0.00 0.00 3.19 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.73 0.00 54 T 7.58 4.30 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 55 C 7.77 4.40 0.00 2.72 1.91 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 0.00 0.00 0.00 0.00 56 G 8.09 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00