NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4064 8.3049 120.3347 56.7596 33.5487 174.8642 2 I 2.6660 7.0711 114.5764 60.7968 37.0429 169.4347 3 V 3.1975 8.5983 125.3013 61.5574 32.7784 173.4436 4 P 4.0535 0.0000 0.0000 62.5582 31.2778 176.3470 5 V 3.5354 8.2737 123.7497 63.9056 32.0538 173.1266 6 R 3.7655 8.5763 128.7229 56.0880 29.3834 175.3545 7 C 3.9857 8.5577 121.5771 58.6257 31.4738 173.2105 8 F 4.2200 7.6592 124.4732 61.5884 39.1511 176.7997 9 S 4.2980 8.2543 119.3939 61.9024 63.2994 175.6172 10 C 4.3835 8.8881 112.3618 60.2287 30.7417 173.3900 11 G 3.4910 7.5900 110.0249 45.0413 0.0000 174.3428 12 K 3.7420 8.1598 122.0184 56.5189 32.4811 176.1974 13 V 4.0335 8.1367 125.1987 63.6578 32.5326 176.1408 14 V 4.4374 8.1636 119.5320 63.0245 34.2746 176.2402 15 G 3.5407 8.2669 108.5608 49.2278 0.0000 174.8994 16 D 4.5265 8.2884 119.0948 56.1687 40.1777 178.7990 17 K 3.9090 7.3990 119.0788 57.9925 32.0738 178.2700 18 W 4.4110 8.5893 129.6253 60.6542 30.4105 177.4146 19 E 3.8131 8.3101 117.0575 59.8744 29.3687 178.8620 20 S 4.1159 8.2438 114.1457 62.0876 62.2609 175.7665 21 Y 3.9532 8.5414 121.8510 61.0288 38.0817 178.5491 22 L 3.5978 8.0035 120.3335 56.7611 41.9019 178.0718 23 N 4.2854 8.1342 117.3703 56.3304 39.3851 176.5288 24 L 3.9704 6.9392 115.1475 56.6618 41.7327 178.3621 25 L 4.0929 7.8995 119.6764 56.6374 42.1099 178.4377 26 Q 3.9622 7.6586 119.5562 58.4190 30.2228 176.7538 27 E 3.8795 8.0184 117.1212 57.4025 28.6336 177.1516 28 D 4.2264 9.0992 126.3946 56.3082 42.7623 176.8641 29 E 4.0401 8.1227 118.3320 56.3485 27.2264 173.5607 30 L 4.5465 7.6500 119.4610 53.3135 44.7011 176.6536 31 D 4.8215 7.7543 119.2070 52.2901 42.1291 176.6637 32 E 3.9252 8.9538 121.6294 60.2103 29.6784 180.2448 33 G 4.0663 7.9962 104.8201 48.1152 0.0000 175.4322 34 T 4.0044 7.8747 111.7447 64.6955 68.9896 176.8178 35 A 3.8926 7.6481 123.4337 54.7875 18.6566 178.8552 36 L 4.0629 8.2202 116.8797 58.5343 41.7505 179.7917 37 S 4.1223 7.9553 113.4124 62.1107 62.7437 177.2150 38 R 3.9363 8.0757 120.3390 59.3645 29.9245 178.1541 39 L 4.2950 7.8694 114.6511 55.1661 41.4048 178.1606 40 G 3.9597 7.9221 107.3828 45.5822 0.0000 175.3426 41 L 4.3611 7.4463 119.9086 53.5075 41.2593 177.0526 42 K 3.9776 8.6933 126.9430 56.8168 31.5721 179.2419 43 R 3.9391 9.2386 111.9312 57.0662 31.1975 176.3870 44 Y 4.3409 9.1430 120.9106 60.3018 37.0957 178.7754 45 C 4.4093 7.5593 115.9683 61.8347 29.9401 175.6976 46 C 4.1372 7.9064 119.6141 61.5583 27.6670 176.0682 47 R 3.9508 7.8374 120.6132 59.4577 29.6925 178.8576 48 R 4.0353 9.0504 116.8456 58.9402 29.1024 178.2138 49 M 3.9084 7.2887 118.1879 58.8863 32.1295 177.9602 50 I 3.9076 7.2344 118.6655 64.1643 37.2351 178.1299 51 L 3.9528 7.4773 119.2854 57.5126 41.8786 177.4614 52 T 4.4893 7.3280 112.9700 63.6030 70.3716 174.2654 53 H 4.0532 7.7584 121.4690 56.2227 30.1187 174.6754 54 V 4.0550 8.1685 126.3805 61.1032 32.3109 176.0681 55 D 4.5547 7.9251 132.3364 53.0449 39.4910 176.7189 56 L 3.6602 7.8215 123.6908 58.3747 41.9591 179.2478 57 I 3.8447 7.7669 117.5666 64.5368 37.6989 177.0467 58 E 4.0293 7.7867 117.7393 59.2417 29.4069 179.2094 59 K 4.1467 9.0191 119.2431 59.1393 32.1625 178.9528 60 F 4.8064 8.0288 116.4853 61.2559 39.1027 177.4138 61 L 4.3396 8.6560 118.6940 57.3827 41.1532 178.9009 62 R 4.0169 7.8561 115.1198 55.5644 29.9587 175.1875 63 Y 4.4984 8.3376 120.0287 57.6650 36.4873 175.9847 64 N 4.9858 9.1753 128.7229 54.5309 45.6368 171.3416 65 P 4.4515 0.0000 0.0000 63.0602 31.4175 176.9776 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 4.41 0.00 1.98 2.14 0.00 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.71 0.00 2 I 7.07 2.67 1.83 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 1.20 0.18 0.84 0.00 0.00 3 V 8.60 3.20 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 0.79 0.00 0.00 0.38 0.00 0.00 4 P 0.00 4.05 0.00 1.74 1.62 0.00 3.37 0.00 0.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.87 0.00 5 V 8.27 3.54 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 0.78 0.00 0.00 0.91 0.00 0.00 6 R 8.58 3.77 0.00 1.95 2.05 0.00 3.25 0.00 0.00 3.15 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 7 C 8.56 3.99 0.00 2.84 2.87 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 0.00 8 F 7.66 4.22 0.00 3.06 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 9 S 8.25 4.30 0.00 3.85 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 10 C 8.89 4.38 0.00 3.03 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 11 G 7.59 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.16 3.74 0.00 1.78 1.70 0.00 1.72 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.50 1.44 7.81 13 V 8.14 4.03 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 0.84 0.00 0.00 0.93 0.00 0.00 14 V 8.16 4.44 2.14 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 0.87 0.00 0.00 0.91 0.00 0.00 15 G 8.27 3.54 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 0.00 0.00 0.00 16 D 8.29 4.53 0.00 2.96 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 17 K 7.40 3.91 0.00 1.97 2.03 0.00 1.59 0.00 0.00 1.60 0.00 0.00 2.98 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.51 1.58 7.81 18 W 8.59 4.41 0.00 3.35 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 19 E 8.31 3.81 0.00 2.02 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 2.45 2.59 0.00 20 S 8.24 4.12 0.00 4.06 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 21 Y 8.54 3.95 0.00 3.01 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 22 L 8.00 3.60 0.00 1.06 1.29 0.57 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 23 N 8.13 4.29 0.00 2.99 2.67 0.00 0.00 7.02 6.68 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 24 L 6.94 3.97 0.00 1.59 1.60 0.89 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 25 L 7.90 4.09 0.00 1.45 1.40 0.51 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 7.66 3.96 0.00 1.95 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.96 0.00 0.00 0.00 0.00 0.00 2.31 2.41 0.00 27 E 8.02 3.88 0.00 2.13 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 2.32 2.26 0.00 28 D 9.10 4.23 0.00 2.57 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 29 E 8.12 4.04 0.00 1.94 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 2.23 2.45 0.00 30 L 7.65 4.55 0.00 1.62 1.55 1.01 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 31 D 7.75 4.82 0.00 2.73 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 32 E 8.95 3.93 0.00 2.15 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 0.00 2.55 2.49 0.00 33 G 8.00 4.07 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 0.00 34 T 7.87 4.00 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 35 A 7.65 3.89 1.19 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 0.00 0.00 0.00 0.00 0.00 0.00 36 L 8.22 4.06 0.00 1.79 1.78 0.98 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 37 S 7.96 4.12 0.00 4.20 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 38 R 8.08 3.94 0.00 1.78 2.16 0.00 3.24 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 39 L 7.87 4.30 0.00 1.86 1.74 1.14 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 40 G 7.92 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 41 L 7.45 4.36 0.00 1.68 1.66 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 42 K 8.69 3.98 0.00 1.72 1.55 0.00 1.82 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.45 7.81 43 R 9.24 3.94 0.00 1.83 2.01 0.00 2.92 0.00 0.00 3.31 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 44 Y 9.14 4.34 0.00 3.27 3.22 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 0.00 45 C 7.56 4.41 0.00 3.11 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 46 C 7.91 4.14 0.00 2.96 2.98 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 0.00 0.00 0.00 47 R 7.84 3.95 0.00 2.17 2.10 0.00 3.20 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.68 0.00 48 R 9.05 4.04 0.00 2.05 2.26 0.00 2.92 0.00 0.00 3.17 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 2.02 0.00 49 M 7.29 3.91 0.00 2.02 2.21 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 50 I 7.23 3.91 1.71 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.92 0.23 0.00 0.00 51 L 7.48 3.95 0.00 1.59 1.83 1.01 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 52 T 7.33 4.49 4.41 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 0.00 0.00 0.00 1.25 0.00 0.00 53 H 7.76 4.05 0.00 2.92 3.03 0.00 5.73 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 V 8.17 4.06 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 0.81 0.00 0.00 1.00 0.00 0.00 55 D 7.93 4.55 0.00 2.31 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.82 3.66 0.00 1.29 0.79 0.89 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 57 I 7.77 3.84 1.98 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.74 0.94 0.00 0.00 58 E 7.79 4.03 0.00 2.10 2.03 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 2.60 2.59 0.00 59 K 9.02 4.15 0.00 1.54 1.83 0.00 1.64 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.37 1.44 7.81 60 F 8.03 4.81 0.00 3.20 3.06 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 61 L 8.66 4.34 0.00 1.89 1.78 0.99 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 62 R 7.86 4.02 0.00 1.73 1.78 0.00 3.20 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.60 0.00 63 Y 8.34 4.50 0.00 3.26 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 0.00 0.00 0.00 0.00 64 N 9.18 4.99 0.00 2.69 2.59 0.00 0.00 6.87 7.69 0.00 0.00 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 P 0.00 4.45 0.00 2.23 2.04 0.00 3.90 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00