NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4429 8.1627 118.3253 55.3091 33.8182 173.2639 2 Q 4.7557 8.2690 120.2346 52.4844 31.2022 172.7303 3 I 4.5324 9.1192 120.8888 58.9374 41.9642 173.7152 4 F 5.2856 8.8455 121.0491 55.6743 42.3753 174.8927 5 V 4.8103 9.2614 122.8490 61.3061 33.9212 174.0868 6 K 5.1063 9.1501 129.0000 55.1848 34.1467 177.0752 7 T 4.8048 8.5595 115.7309 59.7711 70.9338 174.3665 8 L 4.6596 8.2935 118.6372 54.9561 41.6368 177.1328 9 T 4.5066 7.7871 107.6585 61.4582 68.9560 174.6966 10 G 3.8647 8.5712 107.6751 46.3545 0.0000 173.3078 11 K 4.6115 7.7587 120.6534 54.6131 34.7209 174.8538 12 T 4.8340 8.5488 123.2952 61.9427 70.8470 173.3843 13 I 4.4064 9.0304 128.3969 60.0103 39.2721 174.8692 14 T 4.7693 8.5783 124.4324 62.2553 69.6047 174.2324 15 L 4.7075 8.6958 126.7415 52.7599 45.3095 175.4784 16 E 4.7747 8.6803 123.5412 55.1087 30.3756 174.6970 17 V 4.7386 8.4542 120.2490 59.6304 36.0334 174.6944 18 E 4.7208 9.5098 119.4261 54.1034 32.9383 175.9475 19 P 4.2639 0.0000 0.0000 65.7205 31.5586 178.5338 20 S 4.3440 7.8905 110.5313 59.6085 63.8835 174.2992 21 D 4.3731 8.2392 123.4699 54.8248 41.2128 176.3623 22 T 4.7185 8.4106 114.0395 60.9081 71.5136 176.1486 23 I 3.7411 8.3682 122.4983 64.3327 37.0062 178.4984 24 E 3.9230 8.1674 120.2282 59.4001 29.4400 178.6143 25 N 4.3353 7.9897 116.2977 56.2974 38.5642 177.5931 26 V 3.5534 7.8201 119.5713 65.9649 31.6540 178.2590 27 K 4.2486 8.5211 119.4333 58.8514 31.8664 179.1891 28 A 4.0075 8.1228 121.0688 55.1179 18.1792 179.8234 29 K 3.9335 8.2079 117.1339 59.6496 32.0049 179.6547 30 I 3.7145 7.8443 120.1686 64.3947 36.9233 178.2942 31 Q 4.1129 8.2558 120.4471 59.2104 28.6405 177.8426 32 D 4.3632 8.0932 119.4309 56.5712 41.0118 178.0096 33 K 4.4590 7.7482 115.8339 57.0450 33.6924 177.0554 34 E 4.6346 8.5183 118.2455 55.1711 31.4547 176.9258 35 G 3.8553 8.1433 106.2664 45.5808 0.0000 172.9532 36 I 4.1978 7.4356 120.3056 58.8268 38.0726 174.0822 37 P 4.3520 0.0000 0.0000 62.0027 32.0795 175.4976 38 P 4.2606 0.0000 0.0000 65.9319 31.3917 178.3478 39 D 4.4238 8.1238 115.9421 56.6890 40.9324 176.7578 40 Q 4.5717 8.1932 117.0475 55.6257 30.2412 174.7133 41 Q 4.6812 8.1613 120.3840 54.5164 30.9284 174.8531 42 R 4.7102 8.7660 123.6289 54.5011 32.3029 174.8000 43 L 4.9758 8.3166 124.6269 53.7370 43.7136 176.1056 44 I 5.0612 8.9427 123.6572 59.4655 41.5969 174.2621 45 F 5.1601 9.0997 127.5983 56.5605 42.2779 174.5794 46 A 3.6371 9.5919 130.1030 53.1126 15.8888 177.5658 47 G 3.8699 8.4600 106.4176 46.4575 0.0000 173.7533 48 K 4.4584 7.9601 122.2042 54.1852 33.6576 175.0687 49 Q 4.5013 8.5699 127.7153 56.2044 29.8060 174.7772 50 L 4.3097 8.4334 126.0176 53.1726 43.5579 175.7848 51 E 4.5143 9.4648 123.2098 55.1631 30.8864 177.3031 52 D 4.4507 9.1341 124.0183 57.4839 41.2875 179.2962 53 G 3.5785 8.0906 107.0463 48.2469 0.0000 174.1196 54 R 4.1912 7.8201 119.0892 56.0955 30.7269 175.3225 55 T 4.9687 8.6264 109.5427 59.5261 71.4128 175.5861 56 L 4.0115 8.4984 121.4856 57.9081 41.9817 180.0797 57 S 4.0847 8.2383 113.4588 61.3604 62.6015 175.7502 58 D 4.2190 7.8481 118.8697 57.6676 40.4954 177.0227 59 Y 4.4616 7.5372 113.4850 57.4356 37.7299 174.8498 60 N 4.2346 8.1536 116.9928 54.4679 37.9808 173.9114 61 I 3.6061 8.0070 118.0599 60.4393 37.3854 175.3703 62 Q 4.8266 8.1747 127.3080 53.7792 31.3581 174.7677 63 K 3.9937 8.4072 119.5293 58.5167 32.6122 177.6911 64 E 4.0623 8.7629 123.4344 56.8177 28.1037 175.0070 65 S 4.5660 7.7272 115.7308 59.0341 64.2763 173.2105 66 T 5.1863 8.7280 118.8281 62.0218 70.6268 173.6640 67 L 5.0905 9.2922 126.1295 53.3851 45.4136 174.9565 68 H 5.4290 9.2606 117.7720 54.0026 31.7862 172.9391 69 L 5.0619 8.9833 124.6545 53.3522 44.5337 174.9581 70 V 4.6607 8.8036 127.1061 60.9593 33.7647 174.6088 71 L 4.8123 8.5170 128.1267 54.4955 42.4992 176.9539 72 R 4.1815 8.6592 123.2476 55.8957 31.1454 176.5119 73 L 4.2353 8.5058 124.1171 54.1037 42.2944 178.1969 74 R 4.1400 8.7292 120.3041 58.1511 29.5915 177.2810 75 G 4.0337 7.5222 106.1608 44.6420 0.0000 172.7155 76 G 4.2030 7.9952 114.4572 45.7407 0.0000 174.2493 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 M 8.16 4.44 0.00 2.07 2.22 0.00 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.57 0.00 2 Q 8.27 4.76 0.00 2.08 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.73 0.00 0.00 0.00 0.00 0.00 1.91 2.25 0.00 3 I 9.12 4.53 1.86 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.72 0.83 0.00 0.00 4 F 8.85 5.29 0.00 3.04 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 5 V 9.26 4.81 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 1.00 0.00 0.00 0.93 0.00 0.00 6 K 9.15 5.11 0.00 1.70 1.73 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.83 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.40 1.39 7.81 7 T 8.56 4.80 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 1.23 0.00 0.00 8 L 8.29 4.66 0.00 1.65 1.71 0.91 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 9 T 7.79 4.51 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 10 G 8.57 3.86 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 0.00 0.00 0.00 11 K 7.76 4.61 0.00 1.84 1.66 0.00 1.68 0.00 0.00 1.95 0.00 0.00 2.87 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.45 7.81 12 T 8.55 4.83 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 1.30 0.00 0.00 13 I 9.03 4.41 1.98 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.02 0.92 0.00 0.00 14 T 8.58 4.77 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 1.11 0.00 0.00 15 L 8.70 4.71 0.00 1.46 1.46 0.89 0.85 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 16 E 8.68 4.77 0.00 1.89 1.83 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 2.17 2.34 0.00 17 V 8.45 4.74 2.17 0.00 0.00 0.00 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 0.85 0.00 0.00 18 E 9.51 4.72 0.00 1.93 1.76 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 2.18 2.37 0.00 19 P 0.00 4.26 0.00 2.15 2.10 0.00 3.56 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.07 0.00 20 S 7.89 4.34 0.00 3.96 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 21 D 8.24 4.37 0.00 2.83 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.41 4.72 4.50 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 1.21 0.00 0.00 23 I 8.37 3.74 2.01 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.09 0.91 0.00 0.00 24 E 8.17 3.92 0.00 2.17 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 2.31 2.36 0.00 25 N 7.99 4.34 0.00 3.02 2.84 0.00 0.00 6.71 7.44 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 26 V 7.82 3.55 2.20 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 1.00 0.00 0.00 0.98 0.00 0.00 27 K 8.52 4.25 0.00 1.99 1.84 0.00 1.85 0.00 0.00 1.90 0.00 0.00 3.00 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.60 1.50 7.81 28 A 8.12 4.01 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 K 8.21 3.93 0.00 1.99 1.85 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.44 1.67 7.81 30 I 7.84 3.71 2.16 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 1.40 0.91 0.95 0.00 0.00 31 Q 8.26 4.11 0.00 2.26 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.78 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 32 D 8.09 4.36 0.00 2.93 2.72 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 33 K 7.75 4.46 0.00 1.84 1.90 0.00 1.54 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.54 1.44 7.81 34 E 8.52 4.63 0.00 2.09 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 2.23 2.43 0.00 35 G 8.14 3.86 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 0.00 0.00 0.00 36 I 7.44 4.20 1.87 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.62 0.91 0.00 0.00 37 P 0.00 4.35 0.00 2.17 1.98 0.00 3.62 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.11 0.00 38 P 0.00 4.26 0.00 2.17 2.11 0.00 3.60 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.12 0.00 39 D 8.12 4.42 0.00 2.67 2.74 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 40 Q 8.19 4.57 0.00 2.13 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.29 2.31 0.00 41 Q 8.16 4.68 0.00 2.15 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.66 6.74 0.00 0.00 0.00 0.00 0.00 2.31 2.53 0.00 42 R 8.77 4.71 0.00 1.98 1.85 0.00 3.11 0.00 0.00 3.17 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 43 L 8.32 4.98 0.00 1.56 1.53 0.90 0.72 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 44 I 8.94 5.06 1.92 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 1.25 0.74 0.96 0.00 0.00 45 F 9.10 5.16 0.00 2.86 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 46 A 9.59 3.64 0.73 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 0.00 0.00 47 G 8.46 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 48 K 7.96 4.46 0.00 1.77 1.84 0.00 1.79 0.00 0.00 1.83 0.00 0.00 3.19 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.40 1.41 7.81 49 Q 8.57 4.50 0.00 2.08 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.51 0.00 0.00 0.00 0.00 0.00 2.34 2.45 0.00 50 L 8.43 4.31 0.00 1.40 1.22 0.71 0.31 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 51 E 9.46 4.51 0.00 2.01 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 2.45 2.54 0.00 52 D 9.13 4.45 0.00 2.72 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 53 G 8.09 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 0.00 0.00 0.00 54 R 7.82 4.19 0.00 1.98 1.57 0.00 3.03 0.00 0.00 3.14 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.61 0.00 55 T 8.63 4.97 4.32 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 1.25 0.00 0.00 56 L 8.50 4.01 0.00 1.87 1.69 0.90 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.24 4.08 0.00 3.98 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 58 D 7.85 4.22 0.00 2.61 2.36 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.54 4.46 0.00 2.89 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 60 N 8.15 4.23 0.00 2.92 3.03 0.00 0.00 7.13 8.31 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 61 I 8.01 3.61 1.78 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.28 0.58 0.00 0.00 62 Q 8.17 4.83 0.00 2.14 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.99 0.00 0.00 0.00 0.00 0.00 2.28 2.44 0.00 63 K 8.41 3.99 0.00 1.70 1.72 0.00 1.89 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.44 7.81 64 E 8.76 4.06 0.00 2.31 2.31 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 2.29 2.50 0.00 65 S 7.73 4.57 0.00 3.77 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 66 T 8.73 5.19 4.32 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 1.18 0.00 0.00 67 L 9.29 5.09 0.00 1.58 1.57 0.80 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 68 H 9.26 5.43 0.00 3.03 3.17 0.00 5.56 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.98 5.06 0.00 1.74 1.52 0.93 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.80 4.66 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 0.92 0.00 0.00 0.94 0.00 0.00 71 L 8.52 4.81 0.00 1.58 1.58 0.93 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.66 4.18 0.00 1.69 1.87 0.00 3.33 0.00 0.00 3.23 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.76 0.00 73 L 8.51 4.24 0.00 1.71 1.59 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 74 R 8.73 4.14 0.00 1.92 2.06 0.00 2.98 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 75 G 7.52 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 76 G 8.00 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 0.00 0.00 0.00 0.00