NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4501 8.3049 120.3260 54.9481 33.4238 175.1281 2 K 4.1448 8.3942 121.5463 55.6262 33.0807 174.9148 3 I 4.5954 7.7370 121.7005 59.2769 40.8761 176.0123 4 S 4.1287 8.8834 119.7909 60.9210 63.1496 174.4687 5 G 3.7792 8.1547 109.6394 45.8481 0.0000 173.2137 6 R 3.9467 8.6175 125.2604 58.3402 30.6864 176.5069 7 N 4.7639 8.1330 116.1986 52.0440 39.6803 174.5114 8 K 4.9282 8.6083 123.7497 54.4220 34.6629 175.8851 9 L 4.1845 8.7050 125.6547 52.5477 44.0948 176.0671 10 E 4.6424 8.8780 124.6320 56.1719 29.7669 175.8382 11 A 5.1116 8.9868 126.6011 50.2796 23.5776 174.0866 12 T 4.9783 8.4588 114.0208 61.6905 72.2434 174.4603 13 V 4.0402 8.8067 126.8236 63.3144 32.0949 176.2927 14 K 4.3536 9.2245 127.4178 57.9359 33.6830 176.4398 15 E 4.7937 7.7782 118.2943 54.9408 33.3613 173.8826 16 I 5.0869 8.2544 124.6569 59.5518 40.9673 174.6826 17 V 4.3383 8.7630 126.8301 61.0712 33.9147 174.1039 18 K 4.6652 8.8138 127.7335 55.1279 33.4780 176.5703 19 G 4.3132 8.5296 116.1847 44.5867 0.0000 172.9352 20 T 4.1028 8.5077 114.9151 65.7613 69.1347 175.3427 21 V 4.2679 7.8639 118.7316 63.9550 34.4968 175.5021 22 M 5.1721 7.9998 118.0308 53.6206 35.2825 174.8560 23 A 5.1302 9.1102 121.6797 50.1653 23.1430 174.9018 24 K 4.7399 9.0838 123.4452 55.1490 34.1956 175.2443 25 I 4.7551 8.8532 129.2316 59.7503 39.3284 174.6183 26 V 4.5934 8.7624 128.7707 61.9224 33.0870 174.7979 27 M 5.3357 9.2208 126.6227 53.6465 36.9093 173.4332 28 D 5.2710 9.1249 120.5940 52.9422 43.8731 174.5956 29 Y 5.0115 9.0629 126.7208 55.4820 41.1515 175.1190 30 K 3.7575 9.8334 129.0815 57.1207 29.8963 176.4962 31 G 3.9675 8.2193 106.2863 45.2815 0.0000 174.0254 32 T 4.5293 7.7916 117.2874 61.5987 70.2996 173.1544 33 E 4.7763 8.6689 127.0422 55.9137 30.5554 175.4695 34 L 4.9251 9.1377 126.6915 52.9934 45.3033 175.6678 35 V 4.8495 8.2915 120.3813 61.2948 34.2000 174.2449 36 A 4.8695 9.0920 129.5331 49.9697 22.1484 174.7780 37 A 5.2283 8.6352 122.8576 50.2745 21.0390 175.3916 38 I 4.7994 8.3930 115.0950 59.4140 41.9944 175.2281 39 T 4.5493 8.3039 111.8943 60.9983 69.7151 175.7200 40 I 3.7503 8.5230 117.5892 64.1893 37.3193 178.1140 41 D 4.3806 8.1561 120.3014 57.6349 40.5693 178.9427 42 S 4.1041 7.8851 114.9582 61.4034 62.7923 176.7636 43 V 3.5496 7.6035 120.3877 65.9423 31.1842 178.0437 44 A 3.9427 8.1108 120.3827 55.1284 18.0510 179.0620 45 D 4.2486 8.0627 115.4970 57.5883 41.4836 178.1597 46 L 4.0923 8.1308 117.1874 54.7380 42.5942 176.1049 47 D 4.3751 7.6350 117.3574 55.0232 39.9838 173.7774 48 L 4.4380 7.7914 118.0231 54.9136 42.8823 177.7535 49 V 4.5616 8.8491 115.1037 58.5705 35.7537 173.3077 50 P 4.5690 0.0000 0.0000 64.6066 31.5587 176.5367 51 G 4.0760 9.0725 111.2795 45.3606 0.0000 173.9236 52 D 4.5415 7.9714 119.7078 54.3898 42.0939 175.8054 53 K 4.7439 8.5128 121.7029 56.0144 33.1388 176.5191 54 V 4.5985 8.8817 117.2559 60.0743 36.9233 174.2550 55 T 4.8914 8.3295 117.7241 61.7797 70.3962 174.2503 56 A 4.2800 8.8628 129.6902 51.3863 20.0155 175.7510 57 L 5.1868 8.3573 122.9320 53.2044 45.3747 175.7968 58 V 4.4361 8.5881 125.0486 60.7265 34.9483 174.6764 59 K 4.2575 8.7453 128.7280 55.9576 33.0375 177.1764 60 A 3.9880 8.7946 128.5398 55.6355 18.3666 179.5488 61 T 4.0830 7.8647 103.6441 63.5841 69.0983 174.7443 62 E 4.4271 8.1904 121.1644 56.1336 29.7846 174.8560 63 M 4.4602 7.6600 119.6588 53.7834 33.3068 175.5350 64 E 4.4958 8.5281 125.5975 55.2015 31.3342 175.5262 65 V 4.4408 8.0342 118.9276 61.0347 34.1788 174.5475 66 L 4.8336 8.4339 126.0488 52.9041 44.3301 176.3312 67 K 4.1305 8.3401 122.1102 56.7719 32.3842 175.6792 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 8.30 4.45 0.00 2.02 2.06 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.57 0.00 2 K 8.39 4.14 0.00 1.83 1.73 0.00 1.68 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.44 1.52 7.81 3 I 7.74 4.60 1.86 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 1.46 0.61 0.94 0.00 0.00 4 S 8.88 4.13 0.00 3.97 3.99 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 0.00 0.00 0.00 5 G 8.15 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 6 R 8.62 3.95 0.00 1.81 2.00 0.00 3.36 0.00 0.00 3.23 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.59 0.00 7 N 8.13 4.76 0.00 2.82 2.75 0.00 0.00 6.72 7.29 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 8 K 8.61 4.93 0.00 1.57 1.68 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.32 1.46 7.81 9 L 8.71 4.18 0.00 0.93 0.13 0.73 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.88 4.64 0.00 1.96 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 2.32 2.34 0.00 11 A 8.99 5.11 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 12 T 8.46 4.98 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 1.27 0.00 0.00 13 V 8.81 4.04 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 0.81 0.00 0.00 0.98 0.00 0.00 14 K 9.22 4.35 0.00 1.74 1.83 0.00 1.77 0.00 0.00 1.64 0.00 0.00 3.04 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.40 1.38 7.81 15 E 7.78 4.79 0.00 2.00 1.72 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 2.28 2.34 0.00 16 I 8.25 5.09 1.87 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 1.23 0.78 0.91 0.00 0.00 17 V 8.76 4.34 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 0.93 0.00 0.00 18 K 8.81 4.67 0.00 1.67 1.72 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.42 7.81 19 G 8.53 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 0.00 0.00 0.00 0.00 20 T 8.51 4.10 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 21 V 7.86 4.27 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 1.09 0.00 0.00 0.93 0.00 0.00 22 M 8.00 5.17 0.00 1.96 1.93 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.46 0.00 23 A 9.11 5.13 1.17 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 0.00 0.00 0.00 0.00 0.00 0.00 24 K 9.08 4.74 0.00 1.82 1.68 0.00 1.59 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.40 7.81 25 I 8.85 4.76 1.86 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 1.11 0.82 0.90 0.00 0.00 26 V 8.76 4.59 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 1.00 0.00 0.00 0.99 0.00 0.00 27 M 9.22 5.34 0.00 1.98 1.88 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.44 0.00 28 D 9.12 5.27 0.00 2.69 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 9.06 5.01 0.00 2.93 2.90 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 30 K 9.83 3.76 0.00 1.40 1.62 0.00 1.62 0.00 0.00 1.61 0.00 0.00 2.38 0.00 0.00 2.54 0.00 0.00 0.00 0.00 1.24 1.12 7.81 31 G 8.22 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 32 T 7.79 4.53 4.40 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 1.25 0.00 0.00 33 E 8.67 4.78 0.00 2.00 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 0.00 2.30 2.49 0.00 34 L 9.14 4.93 0.00 1.57 1.52 0.80 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 35 V 8.29 4.85 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 0.79 0.00 0.00 0.94 0.00 0.00 36 A 9.09 4.87 1.20 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 37 A 8.64 5.23 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 38 I 8.39 4.80 1.86 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 1.28 0.87 0.90 0.00 0.00 39 T 8.30 4.55 4.39 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 1.21 0.00 0.00 40 I 8.52 3.75 1.87 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 1.72 0.78 0.95 0.00 0.00 41 D 8.16 4.38 0.00 2.78 2.77 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 42 S 7.89 4.10 0.00 4.04 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 43 V 7.60 3.55 2.22 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 1.01 0.00 0.00 0.93 0.00 0.00 44 A 8.11 3.94 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 45 D 8.06 4.25 0.00 2.74 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 46 L 8.13 4.09 0.00 1.75 1.70 0.96 1.25 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 47 D 7.64 4.38 0.00 2.73 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 48 L 7.79 4.44 0.00 1.69 1.58 0.91 0.84 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 49 V 8.85 4.56 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 0.81 0.00 0.00 1.00 0.00 0.00 50 P 0.00 4.57 0.00 2.04 2.19 0.00 3.64 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 51 G 9.07 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 52 D 7.97 4.54 0.00 2.70 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.51 4.74 0.00 1.64 1.75 0.00 1.72 0.00 0.00 1.72 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.42 7.81 54 V 8.88 4.60 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 0.74 0.00 0.00 0.91 0.00 0.00 55 T 8.33 4.89 4.21 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 1.16 0.00 0.00 56 A 8.86 4.28 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 57 L 8.36 5.19 0.00 1.56 1.48 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 58 V 8.59 4.44 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 0.87 0.00 0.00 0.90 0.00 0.00 59 K 8.75 4.26 0.00 1.82 1.77 0.00 1.78 0.00 0.00 2.00 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.50 1.43 7.81 60 A 8.79 3.99 1.31 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 0.00 0.00 0.00 61 T 7.86 4.08 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 62 E 8.19 4.43 0.00 2.10 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 2.26 2.26 0.00 63 M 7.66 4.46 0.00 2.02 1.95 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.48 0.00 64 E 8.53 4.50 0.00 2.00 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 2.27 2.28 0.00 65 V 8.03 4.44 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 0.85 0.00 0.00 0.94 0.00 0.00 66 L 8.43 4.83 0.00 1.64 1.53 0.93 0.83 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 67 K 8.34 4.13 0.00 1.65 1.59 0.00 1.81 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.31 1.42 7.81