NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4254 8.3049 120.3246 55.2240 33.4126 174.2063 2 I 4.1593 7.9551 121.3799 58.9020 39.1246 174.5456 3 A 4.2427 8.4756 128.2900 51.4861 20.0452 177.3128 4 N 4.3139 8.7025 118.7378 56.6754 39.0936 176.2816 5 E 4.0590 8.0301 116.1250 58.2728 29.5857 176.5790 6 N 4.6178 7.9124 118.8194 52.4722 37.5799 174.9307 7 I 3.8857 7.8567 118.7751 62.5376 38.1202 177.8395 8 Q 3.7510 7.9045 121.5354 59.4513 29.0261 177.6719 9 D 4.1596 8.6380 120.1160 56.7865 40.8675 178.6261 10 K 3.7775 7.6425 119.5923 59.3271 32.0697 178.7661 11 A 3.4101 7.6105 120.8809 54.9917 18.2399 179.6802 12 L 3.3797 7.4405 117.6830 57.5645 41.3791 179.4214 13 E 4.0857 8.1461 119.5100 59.2320 29.4688 178.6951 14 N 4.3121 7.8016 116.1849 56.1824 38.6478 177.3268 15 F 4.4586 7.9115 119.4509 60.4912 39.1024 177.6466 16 K 4.2937 8.6310 120.2634 59.1831 31.8968 178.7953 17 A 4.0809 8.2011 119.9335 54.7836 18.4004 178.3930 18 N 4.6264 8.3498 112.1701 52.3686 39.2228 175.0016 19 Q 3.4280 7.7683 118.0013 56.9130 27.2101 173.8902 20 T 4.1093 7.6568 111.1306 61.6918 67.7852 173.6590 21 E 4.2174 8.7767 129.3384 56.4046 30.6184 175.3442 22 V 4.4863 8.9772 127.5983 61.3352 34.9518 174.1519 23 T 4.7337 8.6551 122.8857 61.8479 70.8587 173.4756 24 V 4.3551 8.4735 127.2975 61.2045 33.5514 174.3317 25 F 4.9082 8.9745 127.3131 56.1714 41.1897 175.7427 26 F 4.9750 9.1604 121.9970 55.7789 41.0314 176.9934 27 L 4.0068 8.8661 120.2541 58.0035 41.3703 178.4663 28 N 4.6404 8.3459 113.1494 52.9148 37.5946 175.8801 29 G 4.0938 8.5935 108.6664 45.4931 0.0000 173.8560 30 F 4.7872 8.5029 122.4161 57.9588 40.2043 173.5116 31 Q 4.6983 5.8797 120.2313 54.6235 31.5162 173.9747 32 M 4.6985 8.5249 118.9283 53.4480 36.6337 174.1623 33 K 4.8562 8.3801 121.7007 54.6710 35.6644 175.9746 34 G 3.9030 7.9008 112.0448 45.8551 0.0000 171.0259 35 V 4.7413 7.8071 119.3638 60.9765 33.9983 175.8834 36 I 4.4667 8.3413 128.6181 61.5707 37.3976 176.2480 37 E 4.2492 9.1666 128.0769 58.6758 30.4436 176.7367 38 E 4.7219 7.9559 116.3115 56.0201 33.5694 173.1499 39 Y 5.1787 7.5232 116.8094 56.7662 40.0554 173.7095 40 D 4.4931 8.8184 118.9791 52.6246 41.6535 175.5271 41 K 4.0080 8.6187 118.6274 59.1077 32.4273 177.8457 42 Y 5.0061 8.8626 115.5036 58.2461 40.3659 175.3558 43 V 5.2148 7.8224 108.1575 59.5362 36.8591 174.8120 44 V 4.7199 8.7710 121.1689 61.3719 34.9045 174.0234 45 S 5.0827 9.3554 123.5586 57.0522 63.8555 172.2264 46 L 5.0780 9.2141 130.4294 53.3013 44.5905 174.4320 47 N 5.1822 9.3972 126.3661 52.8288 40.1827 173.9373 48 S 5.0953 8.7802 123.0829 56.0273 67.2570 173.3151 49 Q 4.0333 8.6684 118.9530 57.3181 27.9694 176.5568 50 G 3.9617 8.9983 110.7388 45.5540 0.0000 172.5979 51 K 4.5729 7.7103 118.5015 54.3577 36.1043 174.6596 52 Q 4.8370 8.4934 122.7870 54.5871 31.4129 174.1408 53 H 5.0276 9.3933 123.4356 53.8391 32.3622 172.4971 54 L 5.0248 8.6459 124.5312 53.6090 43.5868 175.1425 55 I 4.5986 8.7136 128.2345 59.6432 39.9019 175.0000 56 Y 4.7357 8.4699 124.3710 57.2316 38.8460 176.8545 57 K 4.0145 9.3035 125.1417 59.6842 32.3959 178.9261 58 H 4.3217 8.3876 112.8323 57.6562 28.6880 175.6871 59 A 4.6353 8.3437 122.4531 52.2002 19.5506 176.4807 60 I 4.2450 7.5098 117.5970 60.5908 38.2336 175.3510 61 S 4.5542 8.9005 120.3155 60.2491 63.1803 174.2009 62 T 4.7182 7.4103 114.1809 62.2416 73.0471 171.9873 63 Y 5.3726 8.6304 121.2740 56.6286 40.6479 175.2134 64 T 4.8247 9.0538 112.3333 60.2243 72.9351 172.7472 65 V 4.3922 8.3751 121.7415 61.6769 35.0305 175.2942 66 E 4.1351 7.9304 117.9238 56.5963 29.7243 174.8910 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 4.43 0.00 2.01 2.06 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.56 0.00 2 I 7.96 4.16 1.85 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.68 0.88 0.00 0.00 3 A 8.48 4.24 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 4 N 8.70 4.31 0.00 2.68 2.86 0.00 0.00 7.07 7.65 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 5 E 8.03 4.06 0.00 1.97 1.98 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 2.30 2.34 0.00 6 N 7.91 4.62 0.00 2.72 2.86 0.00 0.00 6.78 7.12 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 7 I 7.86 3.89 1.82 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.44 0.88 0.00 0.00 8 Q 7.90 3.75 0.00 2.11 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.95 0.00 0.00 0.00 0.00 0.00 2.28 2.38 0.00 9 D 8.64 4.16 0.00 2.82 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.64 3.78 0.00 1.76 1.84 0.00 1.58 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.31 1.38 7.81 11 A 7.61 3.41 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 L 7.44 3.38 0.00 0.71 0.52 0.38 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 13 E 8.15 4.09 0.00 2.23 1.93 0.00 0.00 0.00 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 2.40 0.00 14 N 7.80 4.31 0.00 2.76 2.77 0.00 0.00 6.99 8.03 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 15 F 7.91 4.46 0.00 3.07 2.92 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 16 K 8.63 4.29 0.00 2.11 2.10 0.00 1.80 0.00 0.00 1.85 0.00 0.00 2.97 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.50 1.65 7.81 17 A 8.20 4.08 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 18 N 8.35 4.63 0.00 2.86 2.90 0.00 0.00 7.19 8.37 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 19 Q 7.77 3.43 0.00 2.20 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.85 0.00 0.00 0.00 0.00 0.00 2.33 2.29 0.00 20 T 7.66 4.11 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 1.41 0.00 0.00 21 E 8.78 4.22 0.00 2.10 1.78 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 2.33 2.31 0.00 22 V 8.98 4.49 1.88 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 0.90 0.00 0.00 0.06 0.00 0.00 23 T 8.66 4.73 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 0.75 0.00 0.00 24 V 8.47 4.36 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 0.18 0.00 0.00 0.87 0.00 0.00 25 F 8.97 4.91 0.00 2.81 2.91 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 26 F 9.16 4.98 0.00 3.20 3.08 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 27 L 8.87 4.01 0.00 1.75 1.82 1.05 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 28 N 8.35 4.64 0.00 2.88 2.99 0.00 0.00 6.22 7.00 0.00 0.00 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 G 8.59 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 F 8.50 4.79 0.00 3.03 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 31 Q 5.88 4.70 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.55 0.00 0.00 0.00 0.00 0.00 1.59 1.80 0.00 32 M 8.52 4.70 0.00 1.87 1.97 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.46 0.00 33 K 8.38 4.86 0.00 1.59 1.56 0.00 1.79 0.00 0.00 1.66 0.00 0.00 2.73 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.42 7.81 34 G 7.90 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 35 V 7.81 4.74 2.09 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 0.99 0.00 0.00 1.01 0.00 0.00 36 I 8.34 4.47 1.98 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.54 1.11 0.00 0.00 37 E 9.17 4.25 0.00 1.88 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 2.48 2.45 0.00 38 E 7.96 4.72 0.00 1.99 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 2.29 2.29 0.00 39 Y 7.52 5.18 0.00 3.16 2.93 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.82 4.49 0.00 2.80 2.73 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 0.00 0.00 0.00 41 K 8.62 4.01 0.00 1.47 1.23 0.00 1.50 0.00 0.00 1.60 0.00 0.00 2.86 0.00 0.00 3.02 0.00 0.00 0.00 0.00 0.99 0.75 7.81 42 Y 8.86 5.01 0.00 3.14 3.09 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 0.00 0.00 0.00 0.00 43 V 7.82 5.21 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 0.65 0.00 0.00 1.07 0.00 0.00 44 V 8.77 4.72 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 1.12 0.00 0.00 1.11 0.00 0.00 45 S 9.36 5.08 0.00 3.94 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 46 L 9.21 5.08 0.00 1.79 1.58 0.98 0.39 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 47 N 9.40 5.18 0.00 2.81 2.90 0.00 0.00 6.57 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 48 S 8.78 5.10 0.00 3.93 3.80 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.67 4.03 0.00 2.16 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.11 0.00 0.00 0.00 0.00 0.00 2.34 2.31 0.00 50 G 9.00 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 51 K 7.71 4.57 0.00 1.60 1.43 0.00 1.63 0.00 0.00 1.55 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.33 1.51 7.81 52 Q 8.49 4.84 0.00 1.97 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.68 0.00 0.00 0.00 0.00 0.00 2.21 2.40 0.00 53 H 9.39 5.03 0.00 3.09 3.17 0.00 5.62 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 L 8.65 5.02 0.00 1.57 1.49 0.89 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 55 I 8.71 4.60 1.95 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.70 1.08 0.00 0.00 56 Y 8.47 4.74 0.00 2.90 2.44 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.30 4.01 0.00 1.97 1.99 0.00 1.96 0.00 0.00 1.80 0.00 0.00 3.05 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.61 1.54 7.81 58 H 8.39 4.32 0.00 3.25 3.52 0.00 5.53 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 59 A 8.34 4.64 1.60 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 0.00 0.00 60 I 7.51 4.24 1.82 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.70 0.27 0.00 0.00 61 S 8.90 4.55 0.00 3.84 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 62 T 7.41 4.72 4.16 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 1.16 0.00 0.00 63 Y 8.63 5.37 0.00 2.94 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 64 T 9.05 4.82 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 65 V 8.38 4.39 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 0.84 0.00 0.00 0.68 0.00 0.00 66 E 7.93 4.14 0.00 2.16 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 0.00 2.20 2.22 0.00