NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3846 8.3001 120.3489 55.2542 33.6739 175.0672 2 A 4.5746 7.4581 118.8009 50.3577 26.3000 173.9385 3 N 4.9666 8.1386 114.6757 50.7453 41.8577 172.3542 4 A 3.7761 8.9226 123.9997 52.2634 17.8758 178.7076 5 L 3.5517 9.0312 115.9447 54.7722 39.3507 174.2320 6 A 4.0503 7.3892 122.7574 53.3507 19.4745 178.0208 7 S 4.5463 7.3384 107.4787 57.5068 67.1446 175.3009 8 A 4.5813 8.7098 127.7441 51.8326 20.1937 175.4153 9 T 4.3378 8.1136 107.7943 59.4791 71.9152 173.8275 10 C 4.3087 6.9828 122.0993 59.2370 32.0814 174.0664 11 E 3.8374 7.9986 123.8694 59.1703 29.6100 178.2755 12 R 4.0858 7.9079 118.4583 58.9705 30.5096 177.2228 13 C 4.2605 8.0388 110.4368 58.0372 30.5039 173.2351 14 K 4.3021 7.1887 117.7974 56.1389 29.4236 175.1456 15 G 3.7006 7.5896 105.6694 44.7739 0.0000 173.8409 16 G 3.7668 8.7502 113.6244 47.0962 0.0000 171.9837 17 F 5.2306 7.5439 122.9713 56.4253 40.4817 173.6236 18 A 4.3224 8.5055 126.0836 51.7082 23.0317 176.1197 19 P 4.4101 0.0000 0.0000 62.3749 33.2366 177.4573 20 A 3.6347 8.4422 121.8902 54.3035 18.3682 179.4219 21 E 4.0713 7.9929 117.2522 58.7776 29.9453 177.8307 22 K 4.6687 7.8196 118.7220 56.6723 32.9109 176.4962 23 I 3.2933 7.9901 120.5965 60.3692 38.7940 175.9816 24 V 4.2713 8.0678 128.6392 61.6991 34.2487 173.1598 25 N 5.5179 8.7432 127.0171 52.5417 41.0580 174.4943 26 S 4.5015 9.4183 117.7510 58.5148 66.0515 174.9962 27 N 4.1568 9.8628 120.2395 53.0975 36.6529 173.8241 28 G 3.8973 7.7020 108.7582 46.0176 0.0000 174.4761 29 E 4.1993 8.2773 120.5351 55.3145 31.0217 174.1719 30 L 5.0749 7.4798 119.5340 53.1522 45.0335 175.5730 31 Y 5.0726 9.4258 119.9500 57.3555 43.2077 173.8332 32 H 5.7289 8.6634 117.5238 53.8757 31.4235 175.7970 33 E 4.1718 9.0350 116.7183 58.6196 29.9030 177.3605 34 Q 4.6643 7.6831 117.9269 55.2228 29.7131 174.9701 35 C 4.7885 8.2092 112.1414 58.9689 31.3672 173.8974 36 F 3.8557 8.6961 118.5483 58.2304 39.1447 174.9288 37 V 5.8389 8.6727 115.6891 58.7964 35.4672 174.7408 38 C 4.6760 8.7555 121.9374 58.2354 32.3168 174.1644 39 A 4.2937 9.0692 130.1182 54.1770 17.8464 177.0196 40 Q 4.1216 7.3260 112.2576 57.0642 31.2572 176.4584 41 C 3.9957 7.5819 111.0157 58.1304 30.5401 174.3343 42 F 4.0987 7.7940 118.1263 58.3996 36.9478 174.5520 43 Q 4.2779 7.7037 122.1772 56.3121 29.5370 175.5419 44 Q 5.0499 8.8205 125.6925 55.7397 30.4751 175.3140 45 F 4.5980 9.1949 124.3222 55.6824 42.5231 173.5959 46 P 4.5469 0.0000 0.0000 63.8060 31.2113 177.5301 47 E 3.8131 8.2888 121.2450 57.7931 29.5435 178.6710 48 G 3.6397 8.1086 105.3158 45.0406 0.0000 173.3250 49 L 3.3903 5.7826 114.4972 54.3312 45.8318 173.5814 50 F 4.5502 8.2693 122.2714 56.7285 37.0286 177.9971 51 Y 4.6228 5.3700 115.7432 56.4999 37.5975 174.9263 52 E 4.7816 8.3591 117.3262 56.6320 31.7982 177.0051 53 F 4.9470 8.7510 118.1768 55.6676 44.5069 173.7936 54 E 4.2224 9.1336 118.5950 57.4905 29.7885 177.7405 55 G 4.0753 9.9007 111.3310 45.7553 0.0000 172.7497 56 R 4.4924 7.2897 115.1999 56.9272 32.0023 173.4230 57 K 4.5530 7.2124 112.0997 57.2326 35.1584 173.5752 58 Y 5.1067 8.1285 119.4444 56.8963 43.2909 174.3262 59 C 4.3334 8.2130 116.6606 56.3691 33.1861 173.5609 60 E 4.1980 8.8518 117.6312 59.2835 28.9881 177.6449 61 H 4.4582 8.2803 118.2920 59.1224 29.8850 175.8868 62 D 3.8528 7.6016 120.7020 57.2989 41.4299 178.2615 63 F 3.4078 8.0095 120.9532 60.9485 39.4250 177.0787 64 Q 3.7950 7.8548 116.4125 58.6904 28.1589 178.0165 65 M 3.4589 7.2634 120.1008 58.2952 32.3169 177.6624 66 L 3.8980 6.9478 117.3597 54.7178 42.6981 176.6339 67 F 3.6357 7.1095 116.3333 58.7322 36.6387 177.1421 68 A 4.5755 7.1436 122.7133 49.2265 19.5501 175.2471 69 P 4.5825 0.0000 0.0000 64.9092 31.7930 176.8703 70 C 4.4039 7.8039 124.8464 59.8751 31.3874 172.7559 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 4.38 0.00 1.97 2.16 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.61 0.00 2 A 7.46 4.57 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 3 N 8.14 4.97 0.00 2.83 2.81 0.00 0.00 5.94 7.27 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 4 A 8.92 3.78 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 5 L 9.03 3.55 0.00 1.75 1.70 0.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 6 A 7.39 4.05 1.27 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 7 S 7.34 4.55 0.00 3.74 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 8 A 8.71 4.58 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 T 8.11 4.34 4.01 0.00 0.00 0.00 0.00 0.00 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 10 C 6.98 4.31 0.00 2.66 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 11 E 8.00 3.84 0.00 1.67 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.26 0.00 12 R 7.91 4.09 0.00 1.90 1.99 0.00 3.60 0.00 0.00 3.32 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 13 C 8.04 4.26 0.00 3.10 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 14 K 7.19 4.30 0.00 1.82 1.82 0.00 1.84 0.00 0.00 2.42 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.25 7.81 15 G 7.59 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 0.00 0.00 0.00 16 G 8.75 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 0.00 0.00 0.00 0.00 17 F 7.54 5.23 0.00 2.96 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 18 A 8.51 4.32 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 19 P 0.00 4.41 0.00 2.19 2.00 0.00 3.69 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.19 0.00 20 A 8.44 3.63 1.27 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 21 E 7.99 4.07 0.00 1.99 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 2.30 2.35 0.00 22 K 7.82 4.67 0.00 1.99 2.08 0.00 2.08 0.00 0.00 1.80 0.00 0.00 2.92 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.57 1.41 7.81 23 I 7.99 3.29 1.83 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.15 0.58 0.76 0.00 0.00 24 V 8.07 4.27 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 1.12 0.00 0.00 25 N 8.74 5.52 0.00 2.70 2.67 0.00 0.00 7.06 7.66 0.00 0.00 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 S 9.42 4.50 0.00 4.09 3.94 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 0.00 0.00 0.00 27 N 9.86 4.16 0.00 3.06 3.13 0.00 0.00 7.48 7.09 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 28 G 7.70 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 0.00 0.00 0.00 29 E 8.28 4.20 0.00 2.07 1.12 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 2.13 2.25 0.00 30 L 7.48 5.07 0.00 1.65 1.44 0.84 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 31 Y 9.43 5.07 0.00 1.97 2.27 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 32 H 8.66 5.73 0.00 3.32 3.40 0.00 6.09 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 E 9.03 4.17 0.00 2.12 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 2.48 2.49 0.00 34 Q 7.68 4.66 0.00 2.11 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.75 0.00 0.00 0.00 0.00 0.00 2.31 2.35 0.00 35 C 8.21 4.79 0.00 3.21 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 36 F 8.70 3.86 0.00 2.52 1.45 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 37 V 8.67 5.84 2.37 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 0.86 0.00 0.00 1.17 0.00 0.00 38 C 8.76 4.68 0.00 3.17 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 39 A 9.07 4.29 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 40 Q 7.33 4.12 0.00 2.11 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.91 0.00 0.00 0.00 0.00 0.00 2.34 2.65 0.00 41 C 7.58 4.00 0.00 3.01 3.02 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 0.00 0.00 0.00 42 F 7.79 4.10 0.00 3.30 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 43 Q 7.70 4.28 0.00 2.32 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.12 7.05 0.00 0.00 0.00 0.00 0.00 2.43 2.37 0.00 44 Q 8.82 5.05 0.00 2.04 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.54 0.00 0.00 0.00 0.00 0.00 2.46 2.41 0.00 45 F 9.19 4.60 0.00 3.27 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 46 P 0.00 4.55 0.00 2.28 2.28 0.00 3.61 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 2.06 1.91 0.00 47 E 8.29 3.81 0.00 1.92 1.68 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 2.12 2.15 0.00 48 G 8.11 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 5.78 3.39 0.00 1.11 1.20 0.81 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 50 F 8.27 4.55 0.00 2.83 2.29 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 51 Y 5.37 4.62 0.00 2.60 2.52 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 52 E 8.36 4.78 0.00 2.01 2.23 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 2.26 2.90 0.00 53 F 8.75 4.95 0.00 3.23 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 54 E 9.13 4.22 0.00 2.17 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 0.00 2.60 2.58 0.00 55 G 9.90 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 56 R 7.29 4.49 0.00 1.66 2.08 0.00 3.10 0.00 0.00 3.36 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.78 0.00 57 K 7.21 4.55 0.00 2.09 2.07 0.00 1.65 0.00 0.00 1.93 0.00 0.00 3.08 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.20 1.62 7.81 58 Y 8.13 5.11 0.00 3.26 2.82 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 59 C 8.21 4.33 0.00 3.46 3.56 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.85 4.20 0.00 1.94 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 0.00 2.44 2.42 0.00 61 H 8.28 4.46 0.00 3.30 3.31 0.00 5.74 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 D 7.60 3.85 0.00 2.71 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.01 3.41 0.00 3.20 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 64 Q 7.85 3.79 0.00 2.16 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.66 0.00 0.00 0.00 0.00 0.00 2.31 2.42 0.00 65 M 7.26 3.46 0.00 1.81 2.00 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.60 0.00 66 L 6.95 3.90 0.00 1.12 1.32 -0.05 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 67 F 7.11 3.64 0.00 3.22 3.05 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 68 A 7.14 4.58 1.07 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 0.00 0.00 69 P 0.00 4.58 0.00 2.28 2.29 0.00 3.84 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.04 0.00 70 C 7.80 4.40 0.00 2.99 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