NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.1230 0.0000 0.0000 61.9370 33.6125 176.7652 3 L 3.9682 7.3865 118.3936 53.4241 42.4067 175.9332 4 K 4.1460 9.7553 124.4764 55.6999 34.9287 176.5829 5 P 4.4352 0.0000 0.0000 65.5207 31.1700 178.8455 6 E 3.9612 8.0866 118.0083 59.2163 29.5877 178.4573 7 E 3.9456 8.0012 118.2116 59.6255 29.6159 178.6671 8 H 4.1481 8.7033 118.7430 59.2465 30.0897 176.8850 9 E 3.9589 8.4205 121.1756 59.4245 29.3038 178.4489 10 D 4.3906 8.2855 119.1034 57.5586 40.9635 178.9455 11 I 3.7750 7.5288 120.0639 64.2038 36.8483 178.4749 12 L 4.0196 7.6234 119.1448 57.2979 41.6378 178.8537 13 N 4.4204 7.9328 117.1112 56.4109 38.4624 176.5986 14 K 3.8267 7.7301 120.9368 59.8634 32.0179 178.6485 15 L 4.0595 7.5740 116.8274 57.3573 41.5002 178.8834 16 L 4.1705 7.6340 119.9197 56.6103 42.1931 176.4531 17 D 4.5245 7.4888 118.9713 52.8670 41.2303 175.0022 18 P 4.3936 0.0000 0.0000 64.4435 31.4598 176.7427 19 E 4.4345 9.2953 117.8048 55.6705 30.3203 176.1373 20 L 3.8879 7.6774 121.3724 54.9836 42.7690 177.1269 21 A 4.0612 8.5783 126.7387 52.5141 20.0290 178.2708 22 Q 3.9242 8.7986 123.9254 59.6998 28.9948 178.8079 23 S 4.1010 8.2210 115.5648 62.1565 62.8621 176.4562 24 E 4.1252 8.0288 119.1988 58.7683 29.5443 179.0258 25 R 3.8429 7.8916 120.4594 59.8815 30.2123 178.5499 26 T 3.8915 8.3546 116.0317 66.2965 68.3902 176.3994 27 E 3.8882 8.5381 121.5789 59.1770 29.6866 178.6597 28 A 3.9499 8.1908 121.0071 55.3742 18.5524 179.3647 29 L 3.9183 8.0277 117.3469 58.1559 41.6851 179.9597 30 Q 3.9902 8.2476 117.6981 59.0901 28.6514 178.5378 31 Q 3.9772 8.0164 118.8850 59.3519 28.8419 179.1338 32 L 3.9745 8.0380 119.5549 58.0700 41.6004 179.8225 33 R 3.8915 8.0275 118.1708 59.4485 30.1638 178.5501 34 V 3.6033 8.2936 118.3358 66.1914 31.4437 177.4949 35 N 4.3396 8.9354 117.0868 56.9558 38.9545 176.2458 36 Y 4.1932 8.8073 121.4818 60.3208 38.8250 178.2349 37 G 3.6109 8.5137 107.2566 47.6936 0.0000 175.5748 38 S 4.0905 8.1556 115.9854 61.0777 62.4860 175.6400 39 F 4.3630 8.3605 123.5104 61.7381 38.9082 177.4127 40 V 3.4380 7.5427 116.9727 66.1335 31.2233 177.3486 41 S 4.0693 8.1437 112.6887 61.5899 62.0301 175.6549 42 E 3.9597 8.5524 120.7768 59.9717 29.3552 178.7039 43 Y 4.4153 8.1920 118.8956 61.1875 38.7413 177.9331 44 N 4.2136 8.4214 116.9310 56.6109 38.7132 176.7272 45 D 4.3371 8.2496 120.0312 57.5121 40.9412 178.6531 46 L 3.9047 8.6478 121.1302 58.7825 42.0118 179.2368 47 T 3.6625 8.3182 115.9534 66.2894 68.2759 176.5208 48 K 3.8358 8.5653 121.7490 59.6377 32.3332 178.4842 49 S 4.0593 8.3511 113.8231 61.8585 62.0574 175.8129 50 H 4.0122 8.4759 120.8355 59.3126 29.8056 176.8627 51 E 3.9568 8.2736 120.4109 59.3919 29.2799 179.3169 52 K 3.8558 8.0802 119.3160 59.5211 32.1915 178.3718 53 L 3.8696 7.8910 120.2624 58.2723 41.8501 178.8707 54 A 3.9062 8.3394 120.5597 54.7989 18.2738 179.5259 55 A 3.9426 7.7937 119.4806 55.0985 18.4757 179.3915 56 E 3.8345 8.2840 118.0666 59.1533 29.6417 178.6931 57 K 3.8078 8.2310 119.9039 59.9331 32.2534 178.3137 58 D 4.3598 7.8171 118.9728 57.3102 40.6157 178.2179 59 D 4.3046 8.0019 118.2533 57.6060 41.2183 178.4342 60 L 3.9642 8.3919 119.6838 57.7298 41.5121 179.7255 61 I 3.7231 8.0580 120.3256 64.2614 37.1370 178.5936 62 V 3.5614 7.8809 119.0093 66.0414 31.4379 177.8518 63 S 4.0702 8.2459 113.0693 61.7357 62.1291 176.0212 64 N 4.2324 8.5051 119.3063 55.8768 38.2289 177.2721 65 S 4.3307 8.3084 114.9288 61.4685 62.4538 176.5122 66 K 3.9829 7.9468 120.6053 59.4882 31.7691 179.1286 67 L 3.9061 7.8528 119.1536 57.9452 41.5167 179.7742 68 F 4.2345 8.8041 118.3532 60.6920 38.8371 177.5122 69 R 3.9378 8.1999 118.3091 59.7805 29.5556 177.8026 70 Q 3.9690 8.6846 119.3638 59.5512 28.8915 178.4277 71 I 3.9351 8.0918 120.5028 63.3232 37.1982 178.4579 72 G 3.7710 7.9832 106.7664 47.7339 0.0000 175.7177 73 L 4.1715 8.0132 120.9111 57.5371 41.6985 177.4768 74 T 4.0580 7.5007 119.0419 63.8534 68.3429 173.9383 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 2 P 0.00 4.12 0.00 1.93 2.07 0.00 3.39 0.00 0.00 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 2.11 0.00 3 L 7.39 3.97 0.00 1.85 1.57 0.96 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 4 K 9.76 4.15 0.00 1.84 1.71 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.59 7.81 5 P 0.00 4.44 0.00 2.17 2.13 0.00 3.59 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.16 0.00 6 E 8.09 3.96 0.00 2.00 1.94 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 2.38 2.34 0.00 7 E 8.00 3.95 0.00 2.18 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.36 0.00 8 H 8.70 4.15 0.00 3.16 3.30 0.00 5.59 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 E 8.42 3.96 0.00 2.34 2.14 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 2.32 2.41 0.00 10 D 8.29 4.39 0.00 3.00 2.70 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 0.00 0.00 0.00 0.00 11 I 7.53 3.78 1.98 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 1.51 0.92 0.87 0.00 0.00 12 L 7.62 4.02 0.00 1.81 1.71 1.01 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 13 N 7.93 4.42 0.00 2.82 2.90 0.00 0.00 6.67 5.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 K 7.73 3.83 0.00 1.80 1.95 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.49 7.81 15 L 7.57 4.06 0.00 1.83 1.70 0.89 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 16 L 7.63 4.17 0.00 1.72 1.75 0.91 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 17 D 7.49 4.52 0.00 2.74 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.39 0.00 2.07 2.09 0.00 3.70 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 19 E 9.30 4.43 0.00 2.00 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 2.26 2.36 0.00 20 L 7.68 3.89 0.00 1.62 1.68 0.98 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 21 A 8.58 4.06 1.28 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 0.00 0.00 22 Q 8.80 3.92 0.00 2.17 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.77 0.00 0.00 0.00 0.00 0.00 2.43 2.53 0.00 23 S 8.22 4.10 0.00 3.90 3.89 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 0.00 0.00 0.00 0.00 24 E 8.03 4.13 0.00 2.19 2.21 0.00 0.00 0.00 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 2.53 0.00 25 R 7.89 3.84 0.00 1.91 2.13 0.00 3.27 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 26 T 8.35 3.89 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 1.21 0.00 0.00 27 E 8.54 3.89 0.00 2.12 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 2.31 2.33 0.00 28 A 8.19 3.95 1.37 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 0.00 0.00 0.00 29 L 8.03 3.92 0.00 1.66 1.75 0.90 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 30 Q 8.25 3.99 0.00 2.38 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.73 0.00 0.00 0.00 0.00 0.00 2.39 2.56 0.00 31 Q 8.02 3.98 0.00 2.29 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.71 0.00 0.00 0.00 0.00 0.00 2.40 2.69 0.00 32 L 8.04 3.97 0.00 1.92 1.77 0.89 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 33 R 8.03 3.89 0.00 1.92 2.14 0.00 3.13 0.00 0.00 3.11 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.69 0.00 34 V 8.29 3.60 2.23 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 0.96 0.00 0.00 0.96 0.00 0.00 35 N 8.94 4.34 0.00 2.83 2.93 0.00 0.00 6.92 8.15 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 36 Y 8.81 4.19 0.00 3.27 3.04 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 37 G 8.51 3.61 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 S 8.16 4.09 0.00 3.94 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 39 F 8.36 4.36 0.00 3.09 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 40 V 7.54 3.44 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 1.04 0.00 0.00 0.59 0.00 0.00 41 S 8.14 4.07 0.00 3.96 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 42 E 8.55 3.96 0.00 2.37 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.45 0.00 43 Y 8.19 4.42 0.00 2.98 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 44 N 8.42 4.21 0.00 2.99 2.85 0.00 0.00 7.12 8.18 0.00 0.00 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 D 8.25 4.34 0.00 2.94 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.65 3.90 0.00 1.78 1.78 0.94 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 47 T 8.32 3.66 4.11 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 0.00 0.00 0.00 1.04 0.00 0.00 48 K 8.57 3.84 0.00 1.82 1.89 0.00 1.64 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.42 7.81 49 S 8.35 4.06 0.00 3.88 4.11 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 0.00 0.00 0.00 0.00 50 H 8.48 4.01 0.00 3.27 3.42 0.00 5.66 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 E 8.27 3.96 0.00 2.20 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 2.34 2.48 0.00 52 K 8.08 3.86 0.00 1.81 1.94 0.00 1.63 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.58 1.44 7.81 53 L 7.89 3.87 0.00 1.91 1.74 0.89 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 54 A 8.34 3.91 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 55 A 7.79 3.94 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 56 E 8.28 3.83 0.00 2.28 1.94 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 2.29 2.35 0.00 57 K 8.23 3.81 0.00 1.83 2.00 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.50 7.81 58 D 7.82 4.36 0.00 2.88 2.70 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 0.00 0.00 0.00 0.00 59 D 8.00 4.30 0.00 2.93 2.89 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 0.00 0.00 0.00 0.00 60 L 8.39 3.96 0.00 1.82 1.70 0.91 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 61 I 8.06 3.72 2.07 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 1.44 0.90 0.94 0.00 0.00 62 V 7.88 3.56 2.23 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 1.00 0.00 0.00 0.97 0.00 0.00 63 S 8.25 4.07 0.00 3.90 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 64 N 8.51 4.23 0.00 2.90 2.74 0.00 0.00 6.69 7.96 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 65 S 8.31 4.33 0.00 4.06 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 66 K 7.95 3.98 0.00 2.03 1.84 0.00 1.73 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.49 7.81 67 L 7.85 3.91 0.00 1.86 1.45 0.87 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 68 F 8.80 4.23 0.00 3.10 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.20 3.94 0.00 2.13 2.12 0.00 3.12 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 70 Q 8.68 3.97 0.00 2.26 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.59 0.00 0.00 0.00 0.00 0.00 2.35 2.46 0.00 71 I 8.09 3.94 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 1.55 0.91 0.97 0.00 0.00 72 G 7.98 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 0.00 0.00 0.00 73 L 8.01 4.17 0.00 1.61 1.76 0.98 1.06 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 74 T 7.50 4.06 4.25 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 1.22 0.00 0.00