NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 T 4.3353 8.1744 110.9440 61.2662 70.6417 173.5393 6 N 4.7625 7.9191 120.1912 53.0687 39.2490 173.2290 7 S 4.3905 8.1817 111.9434 57.6895 64.7244 173.1765 8 D 4.7599 8.5970 122.0544 54.7522 42.3240 174.6242 9 F 5.3134 7.8566 116.2533 55.3601 41.6685 173.7950 10 V 4.6112 8.7292 111.6457 59.5078 35.6224 174.9004 11 V 4.8591 8.5928 123.2278 61.2694 34.0735 174.3964 12 I 4.9304 9.0586 128.4466 59.4838 40.6459 174.0725 13 K 4.9961 9.1379 129.3954 54.3425 34.2292 175.2049 14 A 4.4520 8.8234 130.1748 52.1751 19.2094 177.4514 15 L 4.8054 9.0232 122.0229 54.4858 42.6383 175.8521 16 E 4.6617 7.6817 115.6711 54.9427 32.3234 174.3689 17 D 4.4896 8.3359 119.2043 55.5260 41.3755 177.0394 18 G 3.8772 8.4445 108.9921 45.5891 0.0000 174.0174 19 V 3.8648 7.5916 119.6445 63.2454 32.7645 174.3116 20 N 5.3461 9.0656 124.6556 51.4492 41.4328 173.6321 21 V 4.5110 8.7385 124.3232 61.3691 33.6622 174.1285 22 I 4.5902 8.6371 130.0135 59.3787 39.6481 174.9999 23 G 4.1157 8.8281 115.0633 44.9439 0.0000 172.7124 24 L 5.3521 8.8331 126.5696 53.5792 43.7836 176.4541 25 T 4.5322 8.7932 114.1887 61.6895 69.2117 174.3947 26 R 4.4241 7.9611 126.1860 57.1134 29.8861 174.8712 27 G 3.7546 8.7949 108.1246 44.1473 0.0000 174.0142 28 A 4.1350 8.6696 120.8761 54.2468 18.6574 177.5670 29 D 4.8110 7.3161 112.4996 53.0243 42.5887 176.1680 30 T 4.6616 8.3442 123.1276 61.7398 69.4510 172.8669 31 R 4.6967 9.0359 123.2330 54.0561 33.7652 173.9627 32 F 5.5728 8.6000 117.5390 57.1052 39.5833 175.9434 33 H 4.9712 8.9019 118.0181 56.2283 30.2403 173.9395 34 H 4.6956 7.5371 116.7238 55.3625 33.2264 172.4644 35 S 4.8773 8.1586 119.7095 56.5739 65.5728 173.0811 36 E 4.2411 9.1427 127.8175 55.3951 30.6968 175.1977 37 K 4.8580 8.6005 126.7773 55.3390 33.7014 175.9077 38 L 4.9456 8.8850 125.3794 53.0318 44.7376 176.3495 39 D 5.0919 9.2516 123.6778 52.8038 43.0077 175.8477 40 K 4.0609 9.4145 122.4362 58.3381 32.2636 176.7675 41 G 4.0533 8.9503 115.6923 45.1882 0.0000 173.6012 42 E 4.2490 8.0711 119.4585 56.3163 30.7455 176.1210 43 V 4.9751 8.2852 121.7781 61.0120 34.6247 174.2936 44 L 4.7483 9.0143 129.0733 53.2690 45.0466 174.8253 45 I 5.0239 8.5045 126.5607 59.6006 39.1907 174.7759 46 A 4.6992 8.8401 128.9320 50.0991 21.9960 175.4263 47 Q 4.7703 8.6306 120.8608 55.1449 30.2736 175.8313 48 F 4.7398 8.3927 120.2027 58.0565 39.9339 175.2008 49 T 4.6456 8.7546 110.9290 60.4133 71.8377 172.9833 50 E 4.0181 9.0093 121.4013 59.7849 29.5519 177.6597 51 H 4.4337 8.1556 113.9781 56.8555 29.6329 174.3319 52 T 5.2303 8.1161 116.2262 62.0059 71.2504 174.4118 53 S 4.9703 8.9794 120.2432 58.0574 64.8420 173.5059 54 A 5.1707 7.9102 121.5142 51.0669 22.6429 175.1109 55 I 4.9463 8.5407 120.6194 59.3765 40.5821 174.7225 56 K 4.6103 8.9417 128.2213 54.5043 34.8223 174.6846 57 V 4.8101 8.3593 126.1269 61.1328 33.8509 174.5554 58 R 4.5461 9.0757 126.9247 55.3974 32.8898 175.9516 59 G 4.1451 9.0335 109.6853 44.0356 0.0000 172.7758 60 K 4.4716 9.0893 121.0112 56.3460 33.0632 175.6670 61 A 5.0313 8.7256 127.6300 51.0960 23.3904 173.7605 62 Y 4.9686 9.1462 121.9186 56.1110 41.0192 174.5839 63 I 4.9387 8.2854 127.1073 59.4897 41.0630 174.2563 64 Q 5.0152 8.8113 125.6698 54.2956 31.7502 174.9021 65 T 4.8414 8.7814 113.1361 59.5017 72.5416 174.5782 66 R 3.7024 8.5707 121.0085 59.5349 29.7988 176.4048 67 H 4.7570 8.2724 112.5376 55.1366 29.2418 173.9088 68 G 3.7653 7.0093 106.6291 44.0667 0.0000 173.3204 69 V 4.8073 7.8732 112.1504 59.9581 34.6842 175.1906 70 I 4.4312 8.1155 121.1610 60.1585 41.9326 172.7804 71 E 5.2774 8.6617 126.7554 54.5027 31.7480 176.0471 72 S 4.5538 8.8087 119.4785 58.0351 65.0104 172.8618 73 E 4.8362 8.7561 120.4446 54.5252 32.3655 176.3607 74 G 3.7238 8.6622 111.4668 45.6762 0.0000 173.1801 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 5 T 8.17 4.34 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 6 N 7.92 4.76 0.00 2.80 2.85 0.00 0.00 7.09 6.75 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 7 S 8.18 4.39 0.00 4.07 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 8 D 8.60 4.76 0.00 2.90 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 9 F 7.86 5.31 0.00 2.96 2.92 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 0.00 0.00 0.00 10 V 8.73 4.61 2.02 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 0.59 0.00 0.00 0.88 0.00 0.00 11 V 8.59 4.86 2.13 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 1.16 0.00 0.00 1.15 0.00 0.00 12 I 9.06 4.93 1.86 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.67 0.91 0.00 0.00 13 K 9.14 5.00 0.00 1.91 1.84 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.38 1.40 7.81 14 A 8.82 4.45 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 15 L 9.02 4.81 0.00 1.62 1.71 0.99 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 16 E 7.68 4.66 0.00 2.03 1.89 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 2.19 2.33 0.00 17 D 8.34 4.49 0.00 2.69 2.64 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 0.00 0.00 0.00 0.00 18 G 8.44 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 0.00 0.00 0.00 19 V 7.59 3.86 2.08 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 1.05 0.00 0.00 1.04 0.00 0.00 20 N 9.07 5.35 0.00 2.59 2.58 0.00 0.00 6.28 7.45 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 21 V 8.74 4.51 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 0.93 0.00 0.00 0.89 0.00 0.00 22 I 8.64 4.59 1.53 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.32 -0.25 0.00 0.00 23 G 8.83 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.83 5.35 0.00 1.90 1.72 0.99 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.79 4.53 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 26 R 7.96 4.42 0.00 1.90 1.96 0.00 3.19 0.00 0.00 3.07 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.44 0.00 27 G 8.79 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 0.00 0.00 0.00 28 A 8.67 4.14 1.29 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 0.00 0.00 29 D 7.32 4.81 0.00 2.60 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 T 8.34 4.66 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 1.28 0.00 0.00 31 R 9.04 4.70 0.00 1.79 2.00 0.00 2.78 0.00 0.00 3.44 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.64 0.00 32 F 8.60 5.57 0.00 2.91 2.86 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 0.00 0.00 0.00 0.00 33 H 8.90 4.97 0.00 3.14 3.49 0.00 5.79 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 H 7.54 4.70 0.00 3.28 3.07 0.00 5.80 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.16 4.88 0.00 3.68 3.57 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.14 4.24 0.00 2.11 1.80 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 2.29 2.33 0.00 37 K 8.60 4.86 0.00 1.66 1.71 0.00 1.73 0.00 0.00 1.69 0.00 0.00 2.88 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.36 1.41 7.81 38 L 8.89 4.95 0.00 1.52 1.53 0.91 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 39 D 9.25 5.09 0.00 2.58 2.68 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 40 K 9.41 4.06 0.00 1.66 1.73 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.31 7.81 41 G 8.95 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 42 E 8.07 4.25 0.00 2.06 1.88 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 2.32 2.26 0.00 43 V 8.29 4.98 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 0.84 0.00 0.00 0.96 0.00 0.00 44 L 9.01 4.75 0.00 1.73 1.44 0.90 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.50 5.02 1.73 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.76 0.62 0.00 0.00 46 A 8.84 4.70 1.11 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 0.00 0.00 47 Q 8.63 4.77 0.00 1.96 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.95 0.00 0.00 0.00 0.00 0.00 2.46 2.39 0.00 48 F 8.39 4.74 0.00 3.06 2.97 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 49 T 8.75 4.65 4.30 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 1.32 0.00 0.00 50 E 9.01 4.02 0.00 1.93 2.01 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 2.04 2.28 0.00 51 H 8.16 4.43 0.00 3.26 3.19 0.00 5.80 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.12 5.23 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 1.36 0.00 0.00 53 S 8.98 4.97 0.00 3.81 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 54 A 7.91 5.17 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 55 I 8.54 4.95 1.87 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.77 0.88 0.00 0.00 56 K 8.94 4.61 0.00 1.81 1.51 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.29 1.35 7.81 57 V 8.36 4.81 2.06 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 0.86 0.00 0.00 0.90 0.00 0.00 58 R 9.08 4.55 0.00 1.73 1.77 0.00 3.16 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.50 0.00 59 G 9.03 4.15 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 0.00 0.00 0.00 60 K 9.09 4.47 0.00 1.87 1.72 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.42 7.81 61 A 8.73 5.03 1.21 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 0.00 0.00 0.00 0.00 0.00 62 Y 9.15 4.97 0.00 3.06 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 63 I 8.29 4.94 1.83 0.00 0.00 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 1.17 0.50 0.82 0.00 0.00 64 Q 8.81 5.02 0.00 1.94 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.58 0.00 0.00 0.00 0.00 0.00 2.15 2.05 0.00 65 T 8.78 4.84 4.13 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 1.15 0.00 0.00 66 R 8.57 3.70 0.00 1.68 1.65 0.00 3.15 0.00 0.00 3.20 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 67 H 8.27 4.76 0.00 3.18 3.26 0.00 5.69 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 7.01 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 69 V 7.87 4.81 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 0.69 0.00 0.00 0.98 0.00 0.00 70 I 8.12 4.43 1.82 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 1.21 1.22 0.85 0.00 0.00 71 E 8.66 5.28 0.00 1.90 1.88 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 2.41 2.42 0.00 72 S 8.81 4.55 0.00 3.99 3.98 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 0.00 0.00 0.00 73 E 8.76 4.84 0.00 1.84 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 2.21 2.28 0.00 74 G 8.66 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00