NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *1 G 3.9127 8.3549 109.7364 45.1079 0.0000 174.2838 2 R 3.9710 8.1655 121.0085 54.8998 31.0157 173.9498 3 Q 4.4425 9.0038 123.7677 53.8191 33.2927 173.4859 4 F 4.2796 8.5933 123.1790 58.9261 39.3333 175.2231 5 G 4.1291 9.2239 113.0549 46.0509 0.0000 173.9688 6 H 4.9736 8.1204 114.1886 55.3706 29.5890 174.6478 7 L 4.0605 7.4008 120.1629 56.2850 42.0065 178.2258 8 T 4.4930 7.1781 113.5949 61.3007 70.7842 172.5191 9 R 4.4721 8.3272 122.7449 54.6385 31.0241 175.4900 10 V 4.4748 8.1640 123.9280 61.1305 34.5261 174.5047 11 R 4.4931 7.8845 124.3439 55.8388 33.6953 174.3283 12 H 4.1371 8.7188 115.9053 56.8638 26.0796 174.5099 13 V 4.3414 7.8489 118.3398 61.0015 33.1368 174.5725 14 I 4.3423 8.2164 127.4341 59.6040 39.2250 174.9571 15 T 4.4934 8.0242 120.6955 61.7507 71.1208 172.8631 16 Y 4.8011 8.5093 123.2873 56.3331 40.4232 175.2697 17 S 4.7687 8.4402 118.4570 56.9816 67.2106 173.2152 18 L 4.7981 8.0794 121.7784 52.5719 44.2673 176.7736 19 S 4.3092 8.3735 116.0997 57.5532 62.9580 173.5617 20 P 4.2386 0.0000 0.0000 65.4533 31.2156 178.2227 21 F 4.3376 7.7139 116.2867 59.3213 38.9532 175.9074 22 E 4.3901 7.9582 119.0272 56.5880 29.7929 175.2398 23 Q 4.7003 7.4533 115.5971 53.9184 31.8189 174.6700 24 R 4.3213 8.2650 116.4481 55.3796 31.0038 177.1117 25 A 4.0427 8.4712 124.0437 53.7492 19.4734 177.6090 26 F 4.8981 7.7020 114.8949 55.6471 39.8280 173.7016 27 P 4.4665 0.0000 0.0000 64.8978 31.8535 175.8604 28 H 4.0963 8.9704 120.1895 55.9716 26.8970 176.0908 29 Y 4.1080 7.8170 120.5198 60.7566 38.4451 176.5802 30 F 4.4743 7.9380 116.8545 59.3729 40.0987 178.1013 31 S 4.3653 8.3648 111.5994 60.5485 62.8755 174.9134 32 K 4.4126 8.1087 120.2097 57.3113 34.9357 178.4054 33 G 4.0506 8.1318 106.3798 47.2289 0.0000 175.4463 34 I 3.6961 7.4679 122.2590 63.6136 37.2208 176.7383 35 P 4.2220 0.0000 0.0000 65.6950 31.1133 178.2085 36 N 4.3327 8.3130 115.8728 56.5307 38.7679 177.1843 37 V 3.6173 7.8750 119.8445 65.8915 31.5688 178.0731 38 L 3.9667 8.2308 119.1406 57.5636 41.4571 179.3925 39 R 3.8534 7.9646 118.6352 59.6858 29.9493 178.9119 40 R 3.9734 8.3960 118.1916 59.3041 29.8744 179.3418 41 T 3.9411 8.1991 115.9212 66.8670 68.3720 177.0948 42 R 3.8857 8.2383 118.6409 59.2228 30.1121 178.7261 43 A 4.1796 8.0211 119.8444 54.0130 18.5797 178.2860 44 C 4.6187 7.5650 110.7481 59.2906 31.3139 176.0429 45 I 3.5619 7.9796 122.5612 64.7187 36.4576 177.8172 46 L 4.1693 7.9026 117.6945 56.8465 41.6195 178.5998 47 R 4.3023 8.3660 117.7632 57.9205 30.7373 178.5323 48 V 3.9190 7.6487 116.2805 65.6797 32.1977 177.4011 49 A 4.3213 8.0622 120.4196 54.8264 18.2929 177.4340 50 P 4.2107 0.0000 0.0000 65.7161 31.4300 176.7956 51 P 4.2027 0.0000 0.0000 65.7190 31.1210 178.6504 52 F 4.3941 7.9991 115.8892 60.1938 38.9850 177.8699 53 V 3.8214 8.0503 118.1344 65.6543 31.1966 178.0444 54 A 4.0369 8.1588 120.8430 54.9686 18.2463 179.1927 55 F 4.1548 8.3497 119.2583 61.7289 39.4604 176.4725 56 Y 3.9229 8.5984 119.3667 60.7386 38.4738 178.2894 57 L 3.7897 8.0941 119.5371 57.8700 41.7866 179.5589 58 V 3.6267 8.0199 118.4995 66.1258 31.3030 177.3886 59 Y 3.7962 8.0486 119.7338 60.8294 38.6460 178.1255 60 T 3.4936 7.6897 110.7245 64.3253 68.6803 176.1924 61 W 4.0084 8.5078 131.8303 60.0417 30.8242 178.2174 62 G 3.3778 8.6534 106.1240 47.9516 0.0000 175.8181 63 T 3.6750 7.7598 118.5164 66.4805 68.4293 176.9180 64 Q 3.8713 7.8194 119.9033 58.7693 28.6548 178.5031 65 E 3.5202 7.8221 120.7338 58.8766 29.2490 178.6635 66 F 4.0689 7.7915 119.8140 61.1654 39.7356 176.6838 67 E 3.8521 8.0298 118.0845 59.3791 29.4558 179.2721 68 K 3.7701 7.9323 118.6048 59.6944 31.9448 179.5060 69 S 4.0741 7.7255 112.8079 60.8197 62.8327 175.8271 70 K 4.0909 7.2843 119.8792 55.9239 32.5431 177.1274 71 R 4.0426 7.2544 119.0219 55.3354 30.6353 176.3325 72 K 3.7943 8.1965 120.5743 56.6331 32.2946 175.9889 73 N 4.6527 8.4084 122.0121 49.5991 36.9316 171.2935 74 P 4.0200 0.0000 0.0000 63.3469 31.1486 175.6655 75 A 4.5408 8.3203 125.3997 49.8894 21.5261 175.5463 *76 A 4.1172 8.4995 123.2705 52.4718 18.9464 176.6122 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 G 8.35 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 2 R 8.17 3.97 0.00 1.81 1.77 0.00 3.13 0.00 0.00 3.12 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 3 Q 9.00 4.44 0.00 2.02 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.09 7.07 0.00 0.00 0.00 0.00 0.00 2.34 2.42 0.00 4 F 8.59 4.28 0.00 3.10 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 G 9.22 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 0.00 0.00 0.00 0.00 6 H 8.12 4.97 0.00 3.22 3.20 0.00 5.68 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 L 7.40 4.06 0.00 1.61 1.55 0.62 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 8 T 7.18 4.49 4.23 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 0.00 0.00 0.00 1.21 0.00 0.00 9 R 8.33 4.47 0.00 1.80 1.80 0.00 3.23 0.00 0.00 3.14 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 10 V 8.16 4.47 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.93 0.00 0.00 11 R 7.88 4.49 0.00 1.56 1.25 0.00 3.35 0.00 0.00 3.18 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.55 0.00 12 H 8.72 4.14 0.00 3.33 3.39 0.00 5.66 0.00 0.00 0.00 0.00 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.85 4.34 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 0.82 0.00 0.00 0.99 0.00 0.00 14 I 8.22 4.34 1.73 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 1.32 0.72 0.27 0.00 0.00 15 T 8.02 4.49 4.14 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 1.18 0.00 0.00 16 Y 8.51 4.80 0.00 2.89 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 17 S 8.44 4.77 0.00 3.80 3.70 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 18 L 8.08 4.80 0.00 1.61 1.56 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 19 S 8.37 4.31 0.00 3.92 3.81 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.24 0.00 1.84 2.09 0.00 3.72 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.75 0.00 21 F 7.71 4.34 0.00 3.10 3.12 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 22 E 7.96 4.39 0.00 2.12 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 0.00 2.38 2.43 0.00 23 Q 7.45 4.70 0.00 2.08 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.78 0.00 0.00 0.00 0.00 0.00 2.37 2.23 0.00 24 R 8.27 4.32 0.00 1.84 1.93 0.00 3.23 0.00 0.00 3.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 25 A 8.47 4.04 0.96 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 0.00 0.00 26 F 7.70 4.90 0.00 2.94 2.81 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.47 0.00 2.28 2.13 0.00 3.98 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.01 0.00 28 H 8.97 4.10 0.00 3.34 3.42 0.00 5.65 0.00 0.00 0.00 0.00 7.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 Y 7.82 4.11 0.00 3.14 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 30 F 7.94 4.47 0.00 3.18 3.03 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 31 S 8.36 4.37 0.00 4.10 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 32 K 8.11 4.41 0.00 2.00 1.81 0.00 1.65 0.00 0.00 1.60 0.00 0.00 2.45 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.33 1.37 7.81 33 G 8.13 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 34 I 7.47 3.70 1.91 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.06 0.93 0.00 0.00 35 P 0.00 4.22 0.00 2.24 2.11 0.00 3.69 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.16 0.00 36 N 8.31 4.33 0.00 2.91 2.88 0.00 0.00 6.84 7.20 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 37 V 7.88 3.62 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 1.05 0.00 0.00 0.95 0.00 0.00 38 L 8.23 3.97 0.00 1.87 1.70 0.92 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 39 R 7.96 3.85 0.00 1.97 2.10 0.00 3.09 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 1.67 0.00 40 R 8.40 3.97 0.00 1.97 1.96 0.00 3.16 0.00 0.00 3.25 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.77 0.00 41 T 8.20 3.94 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 42 R 8.24 3.89 0.00 1.81 2.01 0.00 3.23 0.00 0.00 3.23 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.66 0.00 43 A 8.02 4.18 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 44 C 7.57 4.62 0.00 3.19 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.98 3.56 1.88 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 1.74 1.00 0.93 0.00 0.00 46 L 7.90 4.17 0.00 1.63 1.74 0.93 0.89 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 47 R 8.37 4.30 0.00 1.87 1.99 0.00 3.34 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 48 V 7.65 3.92 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 1.01 0.00 0.00 0.98 0.00 0.00 49 A 8.06 4.32 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 0.00 0.00 0.00 0.00 0.00 50 P 0.00 4.21 0.00 2.18 2.17 0.00 3.67 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.25 0.00 51 P 0.00 4.20 0.00 1.65 1.87 0.00 3.74 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.11 0.00 52 F 8.00 4.39 0.00 3.32 3.20 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 53 V 8.05 3.82 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 1.05 0.00 0.00 54 A 8.16 4.04 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 0.00 0.00 0.00 0.00 0.00 55 F 8.35 4.15 0.00 3.21 3.45 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 0.00 0.00 0.00 0.00 56 Y 8.60 3.92 0.00 3.27 3.29 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 57 L 8.09 3.79 0.00 1.92 1.69 0.97 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 58 V 8.02 3.63 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 1.09 0.00 0.00 0.98 0.00 0.00 59 Y 8.05 3.80 0.00 2.32 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.69 3.49 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 0.70 0.00 0.00 61 W 8.51 4.01 0.00 3.34 3.26 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 0.00 62 G 8.65 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.76 3.67 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 1.04 0.00 0.00 64 Q 7.82 3.87 0.00 1.97 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.81 0.00 0.00 0.00 0.00 0.00 2.28 2.28 0.00 65 E 7.82 3.52 0.00 1.16 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 1.47 1.99 0.00 66 F 7.79 4.07 0.00 2.97 3.17 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 67 E 8.03 3.85 0.00 2.04 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 2.58 2.44 0.00 68 K 7.93 3.77 0.00 1.86 1.76 0.00 1.53 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.44 7.81 69 S 7.73 4.07 0.00 3.92 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 K 7.28 4.09 0.00 1.56 1.68 0.00 1.10 0.00 0.00 0.89 0.00 0.00 2.85 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.14 0.86 7.81 71 R 7.25 4.04 0.00 1.85 1.80 0.00 3.14 0.00 0.00 3.17 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.58 0.00 72 K 8.20 3.79 0.00 1.71 1.75 0.00 1.68 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.45 7.81 73 N 8.41 4.65 0.00 2.77 2.80 0.00 0.00 6.18 7.75 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 74 P 0.00 4.02 0.00 2.18 2.17 0.00 3.72 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.00 0.00 75 A 8.32 4.54 1.25 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 0.00 0.00 0.00 *76 A 8.50 4.12 1.24 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.