NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4823 8.3049 118.1972 54.3471 32.7690 175.5931 2 P 4.2268 0.0000 0.0000 63.1763 33.4672 175.6130 3 K 4.8446 9.4047 123.4949 55.3186 34.8711 174.6257 4 H 5.3438 9.3182 123.0013 54.2534 31.8564 174.0033 5 E 5.1406 8.4914 119.4635 54.7632 33.1539 175.0442 6 F 5.3466 9.5638 122.2934 55.7385 43.7006 173.6868 7 S 5.1721 9.1394 116.3086 56.8713 64.2330 173.1238 8 V 4.7976 8.4026 126.8422 60.7301 33.8766 176.0493 9 D 4.7879 8.1559 131.1160 52.9380 36.8012 176.1085 10 M 4.3343 7.8180 121.1473 55.9759 33.2972 176.8391 11 T 4.5206 8.4238 111.2501 61.5920 71.0420 172.9754 12 C 4.7678 7.6187 115.9840 55.4723 33.0618 174.7894 13 G 3.7790 8.8028 105.9413 47.9344 0.0000 175.9687 14 G 3.6795 8.0720 107.3928 47.7551 0.0000 175.4737 15 C 4.1579 7.9904 118.6172 62.6516 28.1415 176.0269 16 A 4.0251 7.9347 121.8803 55.1669 18.0641 179.3303 17 E 3.9265 8.3377 116.9237 59.5578 29.6264 179.4975 18 A 4.0028 7.9533 120.5218 55.0105 18.4289 179.8829 19 V 3.4466 7.6370 116.4757 66.0317 31.5186 178.1969 20 S 3.8264 8.0207 112.9244 61.3852 62.2435 176.3707 21 R 3.9004 7.9898 120.6739 59.4716 29.6924 179.5664 22 V 3.6367 7.5953 111.6179 64.1669 31.4445 178.6967 23 L 3.8893 7.5693 118.5057 57.6211 41.1789 179.1266 24 N 4.4499 8.1041 115.8658 56.1493 38.5099 177.0643 25 K 4.0814 7.8133 120.4471 59.1231 32.3145 178.5153 26 L 4.0374 7.4565 120.1800 56.7356 42.3337 178.1707 27 G 3.9570 7.6424 102.6500 45.6396 0.0000 172.3509 28 G 4.0384 8.6184 103.7745 46.4988 0.0000 173.9342 29 V 4.8350 7.7686 109.8018 59.2419 36.3388 175.8065 30 K 4.6342 8.9422 121.7443 54.9911 34.8771 174.9299 31 Y 5.5156 8.1252 122.2831 55.1208 41.6566 174.4502 32 D 4.8084 9.2115 118.8722 52.7667 44.8732 173.7966 33 I 4.7990 8.6583 126.2623 59.7648 39.7316 174.9688 34 D 4.6888 9.0158 128.0792 52.1642 41.5160 176.2858 35 L 3.9528 8.6121 126.7018 57.4619 42.4834 177.4482 36 P 4.2458 0.0000 0.0000 65.3859 31.2762 176.8939 37 N 4.6805 8.3274 111.9026 52.0356 39.3387 174.7604 38 K 3.9102 7.8780 117.7579 57.5865 30.3948 174.3034 39 K 5.1427 8.0321 117.8543 54.6930 36.5720 175.5404 40 V 4.8895 8.9001 125.0388 61.5263 34.9498 173.6060 41 C 5.3890 9.2010 125.7546 58.2387 30.7233 172.9376 42 I 5.1714 9.0288 123.7458 59.5900 41.1082 173.7714 43 E 5.0497 9.1288 128.7956 55.0401 31.0791 174.5187 44 S 4.9281 8.4975 119.9112 58.0955 65.6847 174.6169 45 E 4.3802 8.8601 121.6774 57.3449 30.0450 177.0147 46 H 4.3530 8.0590 116.8957 55.3031 29.5086 176.1257 47 S 4.3555 8.4752 117.7049 58.5483 64.8062 175.1463 48 M 3.9576 8.5170 121.9699 58.8272 31.9124 178.1963 49 D 4.3074 7.9950 118.6205 57.7604 41.0842 178.8250 50 T 3.8606 7.8141 115.8967 66.5407 68.4362 176.9227 51 L 3.8612 7.9332 120.9964 57.4775 41.5911 179.3441 52 L 3.6666 8.1534 120.2917 58.0433 41.8674 178.8660 53 A 3.9447 7.6416 119.3876 55.4226 18.7114 179.4270 54 T 3.8767 7.8568 114.1466 66.8106 68.6264 176.9368 55 L 3.8850 7.6318 120.8092 57.6086 41.6583 179.6008 56 K 4.1048 8.0237 117.8963 58.6087 31.6987 179.2315 57 K 4.0983 7.5623 118.0524 58.9469 31.9494 178.8348 58 T 4.0235 7.5091 109.2204 62.9359 68.8149 175.6071 59 G 3.9067 7.9955 109.1020 44.9694 0.0000 173.5283 60 K 4.3464 7.3850 118.5774 55.5532 33.3455 176.3475 61 T 4.3042 8.6093 118.0329 63.3720 69.4249 174.2528 62 V 4.9634 8.4249 125.8507 61.2167 34.7313 174.2989 63 S 4.8990 9.0229 120.3114 57.1574 67.3013 171.5742 64 Y 4.8450 8.6211 121.2831 56.2300 39.5810 175.0369 65 L 4.1420 8.4703 126.0472 54.4547 42.8786 176.9035 66 G 3.1332 5.7311 105.8116 43.9392 0.0000 172.6770 67 L 4.4917 7.6933 117.6764 54.8989 42.6678 177.2086 68 E 4.0737 8.3677 119.3978 57.0741 29.8858 174.6302 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 4.48 0.00 2.15 2.23 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 2.47 2.58 0.00 2 P 0.00 4.23 0.00 2.21 1.99 0.00 3.83 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.19 0.00 3 K 9.40 4.84 0.00 1.66 1.72 0.00 1.64 0.00 0.00 1.82 0.00 0.00 3.08 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.58 7.81 4 H 9.32 5.34 0.00 3.33 3.29 0.00 5.56 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 E 8.49 5.14 0.00 1.69 1.73 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 2.19 2.27 0.00 6 F 9.56 5.35 0.00 2.99 2.96 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 7 S 9.14 5.17 0.00 3.92 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 8 V 8.40 4.80 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 0.96 0.00 0.00 9 D 8.16 4.79 0.00 2.69 2.71 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 0.00 0.00 0.00 10 M 7.82 4.33 0.00 2.04 2.04 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.52 0.00 11 T 8.42 4.52 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 12 C 7.62 4.77 0.00 3.07 3.04 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.80 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 14 G 8.07 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 0.00 0.00 0.00 15 C 7.99 4.16 0.00 3.24 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 16 A 7.93 4.03 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 17 E 8.34 3.93 0.00 2.18 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 2.35 2.61 0.00 18 A 7.95 4.00 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 19 V 7.64 3.45 2.18 0.00 0.00 0.00 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 20 S 8.02 3.83 0.00 4.04 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 21 R 7.99 3.90 0.00 2.03 1.94 0.00 3.17 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.85 0.00 22 V 7.60 3.64 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 0.90 0.00 0.00 0.86 0.00 0.00 23 L 7.57 3.89 0.00 1.17 1.29 0.21 0.59 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 24 N 8.10 4.45 0.00 2.87 2.92 0.00 0.00 7.00 7.42 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 25 K 7.81 4.08 0.00 1.86 1.97 0.00 1.78 0.00 0.00 1.60 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.43 7.81 26 L 7.46 4.04 0.00 1.52 1.78 0.76 1.07 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 27 G 7.64 3.96 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 0.00 28 G 8.62 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.77 4.84 2.25 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 0.92 0.00 0.00 1.12 0.00 0.00 30 K 8.94 4.63 0.00 1.73 1.69 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.34 1.37 7.81 31 Y 8.13 5.52 0.00 3.06 2.94 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 32 D 9.21 4.81 0.00 2.71 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 33 I 8.66 4.80 1.97 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.02 0.96 0.00 0.00 34 D 9.02 4.69 0.00 2.71 2.56 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 35 L 8.61 3.95 0.00 1.78 1.67 0.97 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 36 P 0.00 4.25 0.00 2.09 2.12 0.00 4.00 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 37 N 8.33 4.68 0.00 2.84 2.84 0.00 0.00 7.03 7.61 0.00 0.00 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 K 7.88 3.91 0.00 1.97 2.02 0.00 1.61 0.00 0.00 1.59 0.00 0.00 2.85 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.52 1.36 7.81 39 K 8.03 5.14 0.00 1.84 1.61 0.00 1.58 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.53 7.81 40 V 8.90 4.89 2.19 0.00 0.00 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 0.96 0.00 0.00 41 C 9.20 5.39 0.00 2.98 2.88 0.00 0.00 0.00 0.00 0.00 0.00 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 I 9.03 5.17 2.13 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 1.25 1.04 1.05 0.00 0.00 43 E 9.13 5.05 0.00 2.07 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 2.25 2.37 0.00 44 S 8.50 4.93 0.00 3.95 3.79 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 45 E 8.86 4.38 0.00 1.95 1.96 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 2.27 2.26 0.00 46 H 8.06 4.35 0.00 3.14 3.23 0.00 5.86 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 S 8.48 4.36 0.00 4.04 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 0.00 48 M 8.52 3.96 0.00 1.91 1.91 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 2.16 0.00 49 D 7.99 4.31 0.00 2.70 2.68 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 50 T 7.81 3.86 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 1.11 0.00 0.00 51 L 7.93 3.86 0.00 1.87 1.49 1.06 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 52 L 8.15 3.67 0.00 1.93 1.80 1.06 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 53 A 7.64 3.94 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 54 T 7.86 3.88 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 1.09 0.00 0.00 55 L 7.63 3.88 0.00 1.60 1.53 0.10 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 56 K 8.02 4.10 0.00 1.93 1.83 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.58 7.81 57 K 7.56 4.10 0.00 1.85 1.83 0.00 1.64 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.61 7.81 58 T 7.51 4.02 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 1.14 0.00 0.00 59 G 8.00 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 60 K 7.38 4.35 0.00 1.77 1.94 0.00 1.71 0.00 0.00 1.69 0.00 0.00 2.77 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.42 1.53 7.81 61 T 8.61 4.30 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 1.23 0.00 0.00 62 V 8.42 4.96 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 0.95 0.00 0.00 0.91 0.00 0.00 63 S 9.02 4.90 0.00 3.97 3.96 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 64 Y 8.62 4.84 0.00 2.80 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 65 L 8.47 4.14 0.00 1.45 1.51 0.90 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 66 G 5.73 3.13 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 67 L 7.69 4.49 0.00 1.61 1.56 0.95 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 68 E 8.37 4.07 0.00 2.08 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 2.20 2.26 0.00