NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 T 4.3197 8.0214 117.2906 63.7597 70.0835 175.3443 12 G 3.3928 7.5191 109.1554 47.6571 0.0000 172.1566 13 K 4.2187 8.5255 129.1785 57.4702 32.9051 175.5961 14 Y 5.8040 9.8104 131.5417 59.4965 37.1696 173.3965 15 G 3.9203 7.0760 107.4356 47.0405 0.0000 176.8936 16 V 3.8131 8.5548 123.7420 64.5343 31.7172 176.4910 17 R 3.7656 7.3051 118.7761 57.6852 30.2443 176.8219 18 Y 3.7690 8.2355 118.2021 57.6656 37.0327 167.5149 19 G 4.4332 8.0193 107.8670 43.9874 0.0000 172.6635 20 S 4.1183 9.0261 112.8214 61.5713 62.2367 177.7778 21 S 4.3065 8.1308 112.7182 60.3949 63.1513 174.6997 22 L 4.3061 7.7921 121.1222 56.7049 42.5413 178.3643 23 R 4.1238 7.8456 114.4890 59.6296 29.4287 178.4985 24 R 4.1011 7.3411 115.3447 58.8326 30.3099 178.4748 25 Q 4.2252 7.9319 117.0049 57.6347 28.9805 178.1455 26 V 3.6956 7.7406 118.9234 65.0909 31.6919 177.5257 27 K 4.1093 7.7106 118.1427 58.8748 31.7945 178.0213 28 K 4.2483 7.6270 116.8454 57.3108 32.0401 177.6959 29 L 4.3995 7.4799 120.6984 57.0533 42.8052 177.8747 30 E 3.8817 8.1153 118.5981 59.3168 28.9772 178.9379 31 I 3.3837 7.7876 118.9486 63.7867 37.7956 176.9662 32 Q 4.5019 7.4993 114.9972 56.9711 27.8310 176.3830 33 Q 4.9802 8.1569 121.4251 55.6564 30.0475 176.8621 34 H 4.2422 8.2644 116.1341 56.8551 27.3535 177.3320 35 A 3.9180 9.0475 124.3155 52.8020 19.5089 178.6785 36 R 4.0404 8.1566 118.8976 56.5908 30.2395 175.7984 37 Y 5.1836 8.3389 122.3025 55.9751 41.6920 174.9208 38 D 4.6249 8.7859 119.3531 54.7377 41.7836 176.4288 39 C 4.5946 8.1337 121.3898 58.2022 32.7612 173.9336 40 S 4.4028 8.5373 115.8030 60.0935 62.9179 174.5340 41 F 4.5474 8.0442 119.5394 57.5933 40.9546 173.2728 42 C 4.5825 7.1865 113.2320 60.8838 31.3410 172.3211 43 G 4.6493 7.9496 101.3710 46.1319 0.0000 172.3054 44 K 4.3835 7.9774 124.7201 54.4398 34.7292 176.6370 45 K 4.3100 8.3405 119.3611 57.2190 31.6624 175.7690 46 T 4.4717 8.1664 112.0112 62.9294 73.9854 174.4060 47 V 4.1379 7.6554 124.8358 62.0878 31.7026 174.3283 48 K 4.5049 7.7698 130.6188 54.9654 36.2160 174.9172 49 R 2.5100 6.2479 122.1681 56.7460 29.2415 178.1679 50 G 3.4723 8.4118 115.4281 46.5997 0.0000 172.8831 51 A 4.4210 7.9124 121.6367 48.8926 21.5348 175.8858 52 A 4.1594 8.1765 122.0799 54.4106 17.0742 177.6883 53 G 3.9539 8.9392 111.0138 45.9199 0.0000 171.9509 54 I 4.2281 7.3061 120.6747 59.6396 36.8002 174.7786 55 W 4.7998 8.7832 126.4881 55.4850 29.4755 176.5023 56 T 4.4860 8.2463 120.9446 61.3355 69.3916 172.9486 57 C 4.6381 8.2239 121.7060 58.6733 33.9140 175.0693 58 S 4.3348 8.9164 122.7214 60.2415 63.8929 174.8238 59 C 4.0134 8.1869 120.4070 60.9470 30.2560 172.9821 60 C 4.3568 8.9422 115.7862 58.6509 28.9263 173.0414 61 K 3.8817 7.9636 119.4198 55.5002 28.3372 173.4994 62 K 4.5454 7.9629 121.5944 54.7453 35.3279 175.9136 63 T 4.1505 8.5241 123.4186 63.3286 69.1142 174.3849 64 V 4.3313 8.1560 124.3859 60.0705 33.9164 175.3175 65 A 4.4638 8.2253 122.9252 51.2628 20.2607 175.0590 66 G 4.0588 8.2419 111.9587 44.3969 0.0000 174.5111 67 G 4.6181 6.9431 118.7188 44.8161 0.0000 171.9265 68 A 4.6153 7.5936 120.6887 52.8505 22.0223 176.6273 69 Y 3.8114 8.1267 112.9037 58.9355 36.6861 176.0390 70 T 3.2195 7.8473 119.1970 63.9898 72.1359 175.6790 71 V 4.3325 7.1590 115.6275 61.8524 35.0443 176.6193 72 S 4.6871 7.7292 114.0762 57.4218 67.7385 173.6147 73 T 4.6694 8.1826 115.7465 60.9092 70.1355 175.4289 74 A 4.1128 8.6462 118.3298 54.8419 18.5783 179.5281 75 A 3.9689 7.9224 118.8500 55.4998 18.4249 179.6500 76 A 4.0415 7.8000 118.4074 54.6611 18.2178 179.3879 77 A 4.0283 7.4981 117.2067 55.0484 18.6258 178.6425 78 T 4.1907 7.4088 113.6652 65.8978 68.7665 177.4681 79 V 3.7415 7.9854 115.7708 63.3335 32.9298 177.6441 80 R 4.5304 7.4014 118.3898 54.7438 29.5838 175.4236 81 S 4.7588 7.5591 113.3167 60.0387 70.0800 173.7405 82 T 4.1054 7.5965 119.7775 63.8136 68.1175 174.4285 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 11 T 8.02 4.32 4.17 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 1.25 0.00 0.00 12 G 7.52 3.39 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 0.00 13 K 8.53 4.22 0.00 1.76 1.88 0.00 1.89 0.00 0.00 1.73 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.46 7.81 14 Y 9.81 5.80 0.00 3.35 3.15 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 15 G 7.08 3.92 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 0.00 0.00 0.00 16 V 8.55 3.81 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 0.84 0.00 0.00 0.95 0.00 0.00 17 R 7.31 3.77 0.00 1.81 1.39 0.00 3.28 0.00 0.00 3.17 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.55 0.00 18 Y 8.24 3.77 0.00 3.07 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 19 G 8.02 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 20 S 9.03 4.12 0.00 3.88 3.92 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 21 S 8.13 4.31 0.00 4.01 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 22 L 7.79 4.31 0.00 1.56 1.24 -0.09 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 23 R 7.85 4.12 0.00 2.18 2.39 0.00 3.17 0.00 0.00 3.63 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.80 0.00 24 R 7.34 4.10 0.00 1.79 2.05 0.00 3.34 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.83 0.00 25 Q 7.93 4.23 0.00 2.10 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.82 0.00 0.00 0.00 0.00 0.00 2.36 2.60 0.00 26 V 7.74 3.70 2.12 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 0.90 0.00 0.00 1.04 0.00 0.00 27 K 7.71 4.11 0.00 1.95 1.77 0.00 1.80 0.00 0.00 1.63 0.00 0.00 3.05 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.49 7.81 28 K 7.63 4.25 0.00 1.86 1.84 0.00 1.88 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.43 7.81 29 L 7.48 4.40 0.00 1.77 1.86 1.03 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 30 E 8.12 3.88 0.00 2.14 1.97 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 2.28 2.41 0.00 31 I 7.79 3.38 1.90 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 1.60 1.33 0.93 0.00 0.00 32 Q 7.50 4.50 0.00 2.16 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.55 0.00 0.00 0.00 0.00 0.00 2.54 2.47 0.00 33 Q 8.16 4.98 0.00 2.33 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.75 6.78 0.00 0.00 0.00 0.00 0.00 2.32 2.73 0.00 34 H 8.26 4.24 0.00 3.32 2.96 0.00 5.74 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 35 A 9.05 3.92 1.23 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 0.00 0.00 0.00 36 R 8.16 4.04 0.00 1.66 1.93 0.00 3.24 0.00 0.00 3.08 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.54 0.00 37 Y 8.34 5.18 0.00 3.10 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 38 D 8.79 4.62 0.00 2.62 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 C 8.13 4.59 0.00 3.04 3.15 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 40 S 8.54 4.40 0.00 4.12 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 41 F 8.04 4.55 0.00 2.97 3.07 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 0.00 0.00 0.00 0.00 42 C 7.19 4.58 0.00 3.14 3.10 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 0.00 0.00 0.00 0.00 43 G 7.95 4.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.98 4.38 0.00 1.77 1.78 0.00 1.76 0.00 0.00 1.77 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.38 1.42 7.81 45 K 8.34 4.31 0.00 1.86 1.89 0.00 1.58 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.39 1.37 7.81 46 T 8.17 4.47 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 1.25 0.00 0.00 47 V 7.66 4.14 2.41 0.00 0.00 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 0.00 0.00 1.04 0.00 0.00 48 K 7.77 4.50 0.00 1.45 1.58 0.00 1.23 0.00 0.00 1.50 0.00 0.00 2.60 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.14 1.05 7.81 49 R 6.25 2.51 0.00 1.23 1.44 0.00 3.18 0.00 0.00 3.09 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.34 0.00 50 G 8.41 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 A 7.91 4.42 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 52 A 8.18 4.16 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 53 G 8.94 3.95 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 0.00 0.00 0.00 54 I 7.31 4.23 1.89 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.26 0.96 0.00 0.00 55 W 8.78 4.80 0.00 3.19 3.28 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.25 4.49 4.22 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 1.16 0.00 0.00 57 C 8.22 4.64 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 58 S 8.92 4.33 0.00 3.89 3.89 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 0.00 0.00 0.00 59 C 8.19 4.01 0.00 2.95 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 60 C 8.94 4.36 0.00 3.06 2.99 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 61 K 7.96 3.88 0.00 1.86 1.84 0.00 1.90 0.00 0.00 0.61 0.00 0.00 3.06 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.35 1.55 7.81 62 K 7.96 4.55 0.00 1.69 1.69 0.00 1.90 0.00 0.00 1.73 0.00 0.00 2.89 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.24 1.36 7.81 63 T 8.52 4.15 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 1.23 0.00 0.00 64 V 8.16 4.33 2.16 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 0.82 0.00 0.00 0.96 0.00 0.00 65 A 8.23 4.46 1.23 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 0.00 0.00 0.00 66 G 8.24 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 G 6.94 4.62 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 0.00 0.00 0.00 68 A 7.59 4.62 1.38 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 69 Y 8.13 3.81 0.00 2.91 2.78 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 70 T 7.85 3.22 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 -0.09 0.00 0.00 71 V 7.16 4.33 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 0.64 0.00 0.00 0.79 0.00 0.00 72 S 7.73 4.69 0.00 3.75 3.68 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 73 T 8.18 4.67 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 1.31 0.00 0.00 74 A 8.65 4.11 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 A 7.92 3.97 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 76 A 7.80 4.04 1.35 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 0.00 0.00 0.00 0.00 0.00 0.00 77 A 7.50 4.03 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 78 T 7.41 4.19 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 79 V 7.99 3.74 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 0.74 0.00 0.00 0.98 0.00 0.00 80 R 7.40 4.53 0.00 1.95 1.91 0.00 3.19 0.00 0.00 3.16 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.55 0.00 81 S 7.56 4.76 0.00 3.79 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 82 T 7.60 4.11 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