NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 Q 4.1682 8.3331 119.6788 54.0964 30.8175 174.5148 10 G 4.4920 8.1780 115.6315 44.2580 0.0000 171.4702 11 D 4.8448 8.6910 127.0037 53.3070 43.3943 173.3477 12 I 4.8729 8.1038 119.1092 59.6137 40.5480 174.5580 13 V 5.0441 8.9339 121.4735 59.4957 36.4389 174.5926 14 V 4.8140 8.7856 121.4674 59.5938 34.0356 174.8986 15 A 4.0810 9.2528 127.1477 52.1912 18.8217 177.9422 16 L 3.8750 8.3667 121.4364 55.4390 42.6987 176.4113 17 Y 4.8239 7.4602 114.2825 55.7151 41.8262 172.5572 18 P 4.5262 0.0000 0.0000 63.2181 31.4484 175.5098 19 Y 3.4548 6.8650 122.4903 58.3066 39.3687 174.3852 20 D 4.2738 7.6539 120.3029 53.7006 39.5061 175.3840 21 G 4.0293 7.8312 108.8604 45.9747 0.0000 170.2674 22 I 4.1794 8.2375 118.8021 62.2956 39.4784 176.9739 23 H 4.4323 8.1752 117.7411 54.2420 29.2147 174.3701 24 P 4.4517 0.0000 0.0000 64.5923 31.4903 176.5973 25 D 4.9189 7.8734 116.7585 54.3081 42.9027 176.2826 26 D 4.4837 7.5572 118.7227 54.5609 41.2908 175.5363 27 L 4.5815 7.8583 125.9773 54.0711 42.6792 176.3419 28 S 4.6407 8.7832 122.1303 58.2614 64.1120 173.4350 29 F 5.1092 7.8927 116.4128 55.5363 41.6316 173.2709 30 K 5.1973 8.5016 119.8367 54.0204 35.3629 176.0122 31 K 4.0391 8.5241 119.8576 58.2446 33.3658 178.9578 32 G 3.9775 9.7992 109.9801 46.0588 0.0000 174.0339 33 E 4.3434 7.7763 120.0456 56.0286 30.0928 175.9428 34 K 4.8557 8.5355 122.2682 56.1212 34.9580 175.2746 35 M 5.1253 9.2434 122.0132 53.5377 37.0837 173.7904 36 K 4.7163 8.5740 122.8286 54.7401 34.4733 175.4891 37 V 4.1510 8.9425 128.5117 62.9722 32.2382 176.0319 38 L 4.4021 8.5051 126.5882 56.0110 44.4612 176.5831 39 E 4.4227 7.7970 120.5320 54.9696 31.4095 172.6332 40 E 4.3098 8.3509 125.9751 55.3391 31.2936 174.8385 41 H 4.2277 9.8403 126.4630 57.3930 27.2366 176.1689 42 G 4.4281 9.4399 115.5989 45.9809 0.0000 172.9660 43 E 4.8397 8.4779 115.2561 56.2757 35.8694 174.4628 44 W 4.7320 8.5165 117.4268 54.7033 31.6453 174.7527 45 W 5.0797 8.2213 125.6924 55.6091 30.8830 176.1425 46 K 4.3547 8.3303 124.5017 55.6801 32.6389 175.6075 47 A 5.1902 8.4081 130.6391 50.3885 22.6568 174.4453 48 K 5.0359 8.9097 118.6261 54.7777 35.3418 175.5958 49 S 4.6715 10.3431 122.9567 58.1645 62.9373 174.8208 50 L 4.2289 8.1611 127.6368 56.2082 41.8281 177.9859 51 L 4.1278 7.9422 120.7655 57.8834 41.8705 179.4480 52 T 4.3769 7.7654 109.1515 61.6933 67.7926 172.6738 53 K 3.9454 8.1621 115.4288 56.4238 29.2000 176.8910 54 K 4.5353 7.9274 117.8039 55.6048 33.9928 176.5755 55 E 5.0512 8.7193 122.5670 54.6910 31.8555 175.2034 56 G 4.2685 8.5839 109.9714 44.8254 0.0000 171.7188 57 F 4.8503 8.9644 119.3905 57.1657 40.3081 174.7834 58 I 4.9085 9.7931 117.6425 58.1102 40.1860 173.3023 59 P 3.2874 0.0000 0.0000 62.1854 32.2501 176.7077 60 S 2.7900 7.2340 115.2368 58.9497 62.8700 173.8416 61 N 4.5374 7.1493 117.9826 55.9383 39.9839 175.1364 62 Y 4.9749 7.5720 115.1454 61.8926 38.1951 177.2677 63 V 4.3624 7.5743 110.7118 61.1238 32.9936 174.6873 64 A 4.9232 9.0277 123.4005 49.9461 23.2664 176.0712 65 K 4.3644 8.5649 118.1336 55.7731 32.9156 178.3499 66 L 4.0733 7.7230 123.7040 58.1322 43.0637 178.1424 67 N 4.2541 7.9177 114.0756 54.5910 37.3589 174.9454 68 T 4.1750 8.5483 120.2734 62.7813 67.8011 172.6269 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 9 Q 8.33 4.17 0.00 2.03 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.77 0.00 0.00 0.00 0.00 0.00 2.23 2.34 0.00 10 G 8.18 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.69 4.84 0.00 2.51 2.55 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 12 I 8.10 4.87 1.85 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 1.33 1.58 0.89 0.00 0.00 13 V 8.93 5.04 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 0.79 0.00 0.00 1.04 0.00 0.00 14 V 8.79 4.81 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 0.87 0.00 0.00 0.94 0.00 0.00 15 A 9.25 4.08 1.09 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 0.00 0.00 0.00 16 L 8.37 3.87 0.00 1.34 0.45 0.93 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 17 Y 7.46 4.82 0.00 3.06 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 18 P 0.00 4.53 0.00 1.99 1.98 0.00 3.83 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.91 0.00 19 Y 6.87 3.45 0.00 1.43 1.95 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 20 D 7.65 4.27 0.00 2.40 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 0.00 0.00 0.00 21 G 7.83 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 22 I 8.24 4.18 1.87 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 1.54 0.89 0.92 0.00 0.00 23 H 8.18 4.43 0.00 3.50 3.27 0.00 5.62 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 P 0.00 4.45 0.00 2.20 2.18 0.00 3.74 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.98 0.00 25 D 7.87 4.92 0.00 2.71 2.85 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 26 D 7.56 4.48 0.00 3.05 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 27 L 7.86 4.58 0.00 1.69 1.71 1.22 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 28 S 8.78 4.64 0.00 3.92 3.90 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 0.00 0.00 0.00 29 F 7.89 5.11 0.00 3.07 3.22 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 0.00 30 K 8.50 5.20 0.00 1.63 1.80 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.73 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.52 7.81 31 K 8.52 4.04 0.00 1.83 1.96 0.00 1.45 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.51 1.51 7.81 32 G 9.80 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 0.00 0.00 0.00 33 E 7.78 4.34 0.00 2.25 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 2.35 2.31 0.00 34 K 8.54 4.86 0.00 1.77 1.90 0.00 1.45 0.00 0.00 1.81 0.00 0.00 2.81 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.40 7.81 35 M 9.24 5.13 0.00 1.89 1.81 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.52 0.00 36 K 8.57 4.72 0.00 1.84 1.65 0.00 1.61 0.00 0.00 1.57 0.00 0.00 2.79 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.33 1.48 7.81 37 V 8.94 4.15 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 1.04 0.00 0.00 1.01 0.00 0.00 38 L 8.51 4.40 0.00 1.67 1.63 0.94 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 39 E 7.80 4.42 0.00 2.01 1.75 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 2.20 2.29 0.00 40 E 8.35 4.31 0.00 1.27 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 1.68 1.47 0.00 41 H 9.84 4.23 0.00 3.52 3.26 0.00 5.71 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 42 G 9.44 4.43 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 0.00 0.00 0.00 43 E 8.48 4.84 0.00 2.23 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 0.00 2.47 2.44 0.00 44 W 8.52 4.73 0.00 3.17 3.43 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 45 W 8.22 5.08 0.00 3.44 2.95 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 46 K 8.33 4.35 0.00 1.16 1.41 0.00 1.39 0.00 0.00 1.50 0.00 0.00 2.79 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.01 0.21 7.81 47 A 8.41 5.19 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 48 K 8.91 5.04 0.00 1.75 1.63 0.00 1.63 0.00 0.00 1.58 0.00 0.00 2.79 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.34 7.81 49 S 10.34 4.67 0.00 4.02 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 50 L 8.16 4.23 0.00 1.86 1.71 0.94 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 51 L 7.94 4.13 0.00 1.61 1.74 0.94 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 52 T 7.77 4.38 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 1.23 0.00 0.00 53 K 8.16 3.95 0.00 1.97 2.08 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.79 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.34 1.39 7.81 54 K 7.93 4.54 0.00 1.75 1.77 0.00 1.66 0.00 0.00 1.92 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.53 1.46 7.81 55 E 8.72 5.05 0.00 1.90 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 2.17 2.28 0.00 56 G 8.58 4.27 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 0.00 0.00 0.00 57 F 8.96 4.85 0.00 3.21 3.21 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 58 I 9.79 4.91 1.90 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 1.47 0.84 1.12 0.00 0.00 59 P 0.00 3.29 0.00 1.43 0.78 0.00 4.07 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.45 0.00 60 S 7.23 2.79 0.00 4.11 3.58 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.15 4.54 0.00 2.48 2.46 0.00 0.00 6.25 6.52 0.00 0.00 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 7.57 4.97 0.00 3.31 3.52 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.57 4.36 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 -0.18 0.00 0.00 0.78 0.00 0.00 64 A 9.03 4.92 1.18 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 0.00 0.00 0.00 0.00 0.00 65 K 8.56 4.36 0.00 1.84 1.72 0.00 1.70 0.00 0.00 1.91 0.00 0.00 2.86 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.49 7.81 66 L 7.72 4.07 0.00 1.40 1.71 0.90 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 67 N 7.92 4.25 0.00 2.81 2.59 0.00 0.00 6.67 7.40 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 68 T 8.55 4.17 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