NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.7844 8.3544 109.7374 45.7854 0.0000 172.7502 2 S 3.4573 8.4769 111.1137 58.2983 60.7434 171.9686 3 S 4.2488 8.4103 115.2906 58.9170 64.2544 173.5561 4 G 4.0440 7.0607 108.5142 46.6496 0.0000 172.0201 5 S 4.3745 9.0842 113.1178 59.6207 63.6682 175.5613 6 S 4.7309 7.9365 119.8773 56.6028 63.0146 173.6939 7 G 3.9617 8.2829 116.9076 44.8494 0.0000 174.3657 8 E 4.0116 9.4321 118.8135 54.9220 30.4209 174.8383 9 P 4.8275 0.0000 0.0000 63.2680 32.8783 175.3772 10 I 4.3943 8.5268 121.7897 59.4359 39.2784 174.9677 11 E 4.3899 8.7861 127.1350 56.1414 30.2573 175.6384 12 A 4.8598 8.8385 127.1546 49.9518 22.5054 174.7088 13 I 4.4945 7.4589 119.1744 58.8149 40.2677 175.2363 14 A 3.9231 8.0682 127.9862 52.6960 18.5128 178.2608 15 K 3.5589 9.0547 125.3336 58.8136 32.8838 177.4269 16 F 5.0590 8.0901 115.7748 55.6054 42.8684 173.0695 17 D 4.5906 9.1532 123.6607 54.4726 39.1992 175.4089 18 Y 4.4958 8.6106 125.0288 55.1385 42.4375 174.5990 19 V 4.2634 6.7024 123.6926 59.2647 33.8116 174.6152 20 G 3.8243 8.2148 113.3897 46.5411 0.0000 172.5564 21 R 4.0632 8.8796 126.6847 58.1842 30.0458 177.1608 22 T 4.6051 7.4713 105.4649 58.9476 71.7549 174.4938 23 A 4.0210 8.6649 124.5353 55.5984 18.7660 179.2059 24 R 3.9937 8.2300 114.3232 59.7133 30.1264 176.9325 25 E 4.7099 7.3771 113.4930 56.3602 30.2118 175.8790 26 L 5.0710 8.5303 118.0519 53.1997 45.9717 176.1615 27 S 5.1208 8.7738 117.3135 56.8632 64.6792 173.0740 28 F 5.1299 8.5476 119.2372 55.0949 42.2721 173.4627 29 K 5.0237 8.5637 116.7388 53.8831 35.0842 175.7571 30 K 4.1576 8.9019 122.5264 58.3270 32.3986 174.5829 31 G 4.0778 8.8782 114.0159 45.5070 0.0000 174.0625 32 A 4.0463 8.4347 121.6142 52.4230 19.4383 177.0505 33 S 4.4754 8.6360 117.3407 58.0354 63.3113 173.2417 34 L 4.7572 8.7075 126.7311 52.7625 45.3540 175.1124 35 L 4.6750 8.0680 124.6331 53.5327 44.2735 174.9366 36 L 4.8313 8.3719 125.0677 53.5006 44.1521 176.1495 37 Y 4.8057 8.8384 120.3346 59.5610 40.0420 175.9552 38 Q 4.6477 7.9765 117.7724 54.8441 32.9505 173.8748 39 R 3.4954 8.3341 124.9488 54.8072 29.1307 175.6761 40 A 4.0900 8.3645 129.1523 55.1834 18.7449 176.8763 41 S 4.5284 7.6371 109.4197 57.8524 67.2606 175.0536 42 D 4.4370 8.5673 120.1728 56.8905 40.5478 176.9780 43 D 4.9003 7.8044 117.0884 53.1538 42.9508 175.0567 44 W 5.5749 7.9808 117.0819 55.8486 34.3972 173.4028 45 W 5.4659 9.7392 120.4327 55.3804 33.9994 174.4577 46 E 5.0664 10.0813 120.5387 55.2650 31.6807 174.6625 47 G 4.0469 8.4307 114.5156 44.9358 0.0000 169.9747 48 R 5.2556 8.2001 119.4824 54.7928 33.6443 174.6041 49 H 4.9233 9.1297 122.2761 56.0614 32.7676 173.0837 50 N 4.2524 9.9477 123.0635 54.1648 36.1664 174.0635 51 G 3.8168 8.6742 102.2394 46.4870 0.0000 174.4903 52 I 4.5224 8.2204 120.7181 59.0098 40.2576 174.5295 53 D 5.2463 8.8639 126.0614 52.9072 40.8834 175.7245 54 G 4.0319 8.4571 111.9566 46.5671 0.0000 171.8889 55 L 5.3972 8.5576 122.5936 53.2643 45.1525 175.9564 56 I 5.1301 8.8469 121.7246 58.8989 41.0267 173.5675 57 P 4.1840 0.0000 0.0000 63.0081 31.7489 175.7994 58 H 4.5879 8.5482 119.0549 56.9290 30.2020 175.4343 59 Q 4.4376 7.9349 115.9553 57.4562 29.6070 175.2774 60 Y 5.0764 7.7317 116.3350 56.8932 39.3671 174.9253 61 I 4.5646 7.5478 109.7140 60.0196 40.8177 174.2333 62 V 3.9379 8.2070 124.6868 60.7948 32.8471 174.6107 63 V 3.5108 7.9388 127.8799 62.6872 31.5744 175.2462 64 Q 4.1780 7.8295 125.4866 55.1157 29.1861 176.7909 65 D 4.8372 8.4488 125.4540 53.8089 40.2632 176.1616 66 T 4.4381 7.5056 112.8587 60.9621 70.0125 172.8480 67 S 4.0259 8.5788 123.1186 60.1935 62.0127 174.3343 68 G 3.9738 8.6391 114.0524 43.9374 0.0000 170.0155 69 P 4.5319 0.0000 0.0000 62.1625 31.7946 176.6003 70 S 4.5014 8.0618 114.9708 55.4160 61.9195 172.5908 71 S 3.9429 8.2146 118.4984 59.6524 62.7847 174.5651 72 G 4.0063 8.7444 114.1789 45.7869 0.0000 173.0731 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 3.78 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 0.00 0.00 0.00 0.00 0.00 0.00 2 S 8.48 3.46 0.00 4.00 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 3 S 8.41 4.25 0.00 3.88 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 4 G 7.06 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 5 S 9.08 4.37 0.00 3.83 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 6 S 7.94 4.73 0.00 3.89 3.81 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 0.00 0.00 0.00 0.00 7 G 8.28 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 8 E 9.43 4.01 0.00 2.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.32 0.00 9 P 0.00 4.83 0.00 2.12 2.37 0.00 3.78 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.16 0.00 10 I 8.53 4.39 1.73 0.00 0.00 1.05 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 0.82 0.80 0.00 0.00 11 E 8.79 4.39 0.00 1.85 1.81 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 0.00 2.33 2.26 0.00 12 A 8.84 4.86 0.84 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 0.00 0.00 13 I 7.46 4.49 1.72 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.94 0.85 0.00 0.00 14 A 8.07 3.92 1.26 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 15 K 9.05 3.56 0.00 1.33 1.21 0.00 1.62 0.00 0.00 1.66 0.00 0.00 3.16 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.30 0.86 7.81 16 F 8.09 5.06 0.00 3.23 2.94 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 17 D 9.15 4.59 0.00 2.85 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 18 Y 8.61 4.50 0.00 2.79 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 19 V 6.70 4.26 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.39 0.00 0.00 0.79 0.00 0.00 20 G 8.21 3.82 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 0.00 0.00 0.00 21 R 8.88 4.06 0.00 1.83 2.00 0.00 3.14 0.00 0.00 3.24 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 22 T 7.47 4.61 4.20 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 1.18 0.00 0.00 23 A 8.66 4.02 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 24 R 8.23 3.99 0.00 1.78 1.90 0.00 3.02 0.00 0.00 3.27 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.62 0.00 25 E 7.38 4.71 0.00 2.08 2.10 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 2.09 2.48 0.00 26 L 8.53 5.07 0.00 1.82 1.67 1.13 1.00 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 27 S 8.77 5.12 0.00 3.76 3.85 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 28 F 8.55 5.13 0.00 3.00 2.94 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 29 K 8.56 5.02 0.00 1.85 1.78 0.00 1.78 0.00 0.00 1.77 0.00 0.00 2.90 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.49 1.39 7.81 30 K 8.90 4.16 0.00 1.94 1.86 0.00 1.98 0.00 0.00 1.81 0.00 0.00 2.88 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.44 1.68 7.81 31 G 8.88 4.08 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 0.00 0.00 0.00 32 A 8.43 4.05 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 S 8.64 4.48 0.00 3.85 3.75 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.71 4.76 0.00 1.27 1.26 -0.17 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 35 L 8.07 4.68 0.00 1.64 1.18 0.87 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 36 L 8.37 4.83 0.00 1.54 1.59 -0.48 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 37 Y 8.84 4.81 0.00 3.10 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 38 Q 7.98 4.65 0.00 2.20 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 7.09 0.00 0.00 0.00 0.00 0.00 2.32 2.39 0.00 39 R 8.33 3.50 0.00 0.67 1.36 0.00 2.21 0.00 0.00 2.25 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.27 0.00 40 A 8.36 4.09 1.35 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 0.00 0.00 41 S 7.64 4.53 0.00 4.11 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 42 D 8.57 4.44 0.00 2.63 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 43 D 7.80 4.90 0.00 2.37 2.15 0.00 0.00 0.00 0.00 0.00 0.00 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 W 7.98 5.57 0.00 3.27 3.02 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 45 W 9.74 5.47 0.00 3.47 3.13 0.00 0.00 0.00 0.00 0.00 0.00 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 E 10.08 5.07 0.00 2.13 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 2.29 2.38 0.00 47 G 8.43 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.20 5.26 0.00 2.05 1.77 0.00 3.27 0.00 0.00 3.34 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.74 0.00 49 H 9.13 4.92 0.00 3.13 3.16 0.00 5.78 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 N 9.95 4.25 0.00 2.46 2.73 0.00 0.00 7.15 7.65 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 51 G 8.67 3.82 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 0.00 0.00 0.00 52 I 8.22 4.52 2.06 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.76 0.97 0.00 0.00 53 D 8.86 5.25 0.00 2.90 2.78 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 0.00 0.00 0.00 54 G 8.46 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 55 L 8.56 5.40 0.00 1.63 1.63 0.53 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 56 I 8.85 5.13 2.05 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.86 0.82 0.00 0.00 57 P 0.00 4.18 0.00 2.00 1.33 0.00 3.97 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.44 0.00 58 H 8.55 4.59 0.00 3.43 3.40 0.00 5.91 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 59 Q 7.93 4.44 0.00 2.23 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 7.28 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 60 Y 7.73 5.08 0.00 3.05 3.50 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 61 I 7.55 4.56 1.51 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 -0.02 0.57 0.00 0.00 62 V 8.21 3.94 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 0.80 0.00 0.00 0.73 0.00 0.00 63 V 7.94 3.51 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 0.59 0.00 0.00 0.32 0.00 0.00 64 Q 7.83 4.18 0.00 2.04 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 7.19 0.00 0.00 0.00 0.00 0.00 2.46 2.43 0.00 65 D 8.45 4.84 0.00 2.78 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 T 7.51 4.44 4.22 0.00 0.00 0.00 0.00 0.00 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 67 S 8.58 4.03 0.00 3.87 3.79 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 68 G 8.64 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 69 P 0.00 4.53 0.00 2.17 2.16 0.00 3.31 0.00 0.00 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.90 0.00 70 S 8.06 4.50 0.00 3.78 3.76 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 71 S 8.21 3.94 0.00 3.85 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 72 G 8.74 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00