NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4121 8.3049 120.3478 55.2664 32.5162 173.9896 2 N 4.8150 9.1733 121.8183 49.2401 41.5374 169.3683 3 V 3.7685 8.4568 120.7221 64.5829 32.7130 174.4584 4 G 3.9699 8.6604 118.9951 46.1283 0.0000 174.2337 5 D 4.3603 8.1440 120.0215 54.7915 42.1266 176.5313 6 R 4.6377 8.4987 123.1628 55.4124 30.5397 176.0831 7 V 4.3699 8.1407 120.6964 60.2431 34.3500 175.0558 8 R 4.9559 8.4428 120.8870 54.6414 33.6083 174.4810 9 V 3.9554 8.9988 127.1083 63.1508 31.1829 176.1468 10 T 4.1371 8.4171 118.9638 64.0875 69.9017 175.8271 11 S 4.5420 8.1567 117.6771 57.4350 64.7627 173.6854 12 S 4.5689 8.4852 117.1616 58.2788 63.0190 173.5302 13 V 4.3683 8.5266 126.2758 61.3036 34.4207 173.8080 14 V 4.5870 8.4633 128.2395 61.9053 32.7096 175.1279 15 V 4.7759 8.4560 119.4955 59.9967 36.5112 175.2344 16 Y 5.0971 9.1228 115.3762 56.3800 40.3482 176.4485 17 H 4.8170 8.5114 113.8422 55.3848 29.2644 173.6474 18 H 4.1275 8.1049 120.9782 55.3067 30.1938 174.0275 19 P 4.2944 0.0000 0.0000 65.6514 30.7841 176.6089 20 E 4.3697 7.9511 114.7850 56.3891 30.0927 175.6164 21 H 4.7617 8.3947 117.6581 54.0059 30.0246 173.4055 22 A 4.1713 8.1672 121.6764 53.9394 18.5286 179.0352 23 K 4.0996 8.9380 120.8858 56.8783 31.3630 175.7055 24 T 4.9473 7.6522 109.4489 59.2658 71.5414 173.7868 25 A 3.4993 8.5524 125.5180 52.3325 19.5568 176.8946 26 F 4.5952 8.0586 122.3430 57.2348 43.3907 172.8374 27 D 4.7652 7.9863 126.3840 53.7918 41.8124 175.8180 28 L 4.0642 8.6696 125.9695 54.9205 42.3430 176.5319 29 Q 4.1515 7.9705 120.4588 58.1039 29.1749 176.7551 30 G 4.0276 9.1094 113.7146 45.4320 0.0000 173.7727 31 M 4.4386 7.9992 119.5561 55.2506 33.1668 175.4189 32 E 5.1694 8.5457 120.8535 55.3209 33.2190 176.0949 33 G 3.9176 8.2033 107.0738 46.1703 0.0000 171.7055 34 E 5.1044 7.7707 118.4480 54.0626 34.0843 175.8916 35 V 3.8412 8.6212 123.1973 63.2599 31.6234 176.3865 36 A 4.2227 8.8789 131.4028 54.3956 19.0887 176.7727 37 A 4.2597 7.3296 114.2740 51.5149 22.5000 175.5863 38 V 4.6857 8.1943 118.8804 59.8200 31.3237 172.8238 39 L 4.1188 8.2344 121.1020 55.4366 41.9374 176.5932 40 T 4.6932 8.7482 110.9476 62.2732 73.3505 173.6215 41 G 4.3668 7.6886 108.0983 44.1541 0.0000 172.3447 42 W 4.5810 8.6710 129.6275 55.8881 31.5482 174.9520 43 Q 3.1267 9.1867 127.7893 56.6938 25.5686 173.7206 44 G 4.3210 8.4266 108.7288 45.8798 0.0000 174.9248 45 R 4.1438 7.7402 118.5349 55.0356 30.7625 174.2367 46 P 4.7647 0.0000 0.0000 62.6036 32.2699 175.6934 47 I 4.6046 8.1292 122.0614 59.7228 39.7907 176.1275 48 S 4.7525 8.3649 117.3398 57.5240 63.1967 174.2245 49 A 4.3194 7.9166 123.1069 52.7185 19.4276 177.6891 50 N 4.7479 8.6585 118.7640 53.1037 38.6411 175.3313 51 L 4.8698 7.3498 117.7008 52.6266 42.2857 174.0567 52 P 4.2895 0.0000 0.0000 65.8649 31.8933 177.8262 53 V 3.7014 7.3971 123.9932 62.7605 31.8387 173.5535 54 L 4.7361 8.8549 130.8613 53.9330 43.5839 175.2836 55 V 4.6050 9.0964 126.3144 60.8707 34.6429 173.8136 56 K 4.5614 8.2843 129.0138 55.2254 33.9201 175.5454 57 F 5.2846 9.0747 127.1700 55.5930 41.7781 173.9451 58 E 3.9629 9.3548 120.5611 59.1082 30.3751 177.5894 59 Q 3.1911 8.5408 122.6531 57.5753 27.4494 177.0466 60 A 4.4337 8.4817 121.9931 50.7659 17.1919 175.8679 61 F 4.7949 7.6495 121.9533 56.3951 42.7055 172.8794 62 K 4.9831 7.7721 125.8488 55.4841 36.2990 174.8641 63 A 4.5070 8.6923 119.1090 51.4911 22.8216 175.4115 64 H 5.1719 8.6805 117.3918 55.2127 30.6635 174.5643 65 F 5.0958 9.2607 119.0755 56.2069 44.1170 173.9774 66 R 4.6885 10.6400 119.4249 54.3802 31.6568 175.9460 67 P 4.2618 0.0000 0.0000 66.2311 31.3227 178.3751 68 D 4.5890 8.0526 114.7225 56.2699 41.0820 177.3945 69 E 4.4765 8.5441 119.1433 57.3078 29.9487 176.6019 70 V 4.9792 7.5478 110.6292 59.6453 35.1003 175.4815 71 T 4.6675 8.5870 118.8413 61.3718 72.0966 173.8029 72 L 4.3979 8.6265 127.3130 55.2810 43.3946 176.8491 73 I 4.2004 7.8851 121.6685 61.5588 38.1671 175.4981 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 2.08 0.00 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.64 0.00 2 N 9.17 4.82 0.00 2.82 2.65 0.00 0.00 6.54 6.80 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 3 V 8.46 3.77 2.06 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 0.82 0.00 0.00 0.92 0.00 0.00 4 G 8.66 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 0.00 0.00 0.00 5 D 8.14 4.36 0.00 2.60 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 R 8.50 4.64 0.00 1.79 1.85 0.00 3.35 0.00 0.00 3.22 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.74 0.00 7 V 8.14 4.37 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 0.62 0.00 0.00 0.77 0.00 0.00 8 R 8.44 4.96 0.00 1.84 1.69 0.00 3.08 0.00 0.00 3.09 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.55 0.00 9 V 9.00 3.96 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 1.04 0.00 0.00 0.81 0.00 0.00 10 T 8.42 4.14 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 1.20 0.00 0.00 11 S 8.16 4.54 0.00 3.89 3.85 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 12 S 8.49 4.57 0.00 3.87 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 13 V 8.53 4.37 2.28 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 0.96 0.00 0.00 1.22 0.00 0.00 14 V 8.46 4.59 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 0.60 0.00 0.00 0.87 0.00 0.00 15 V 8.46 4.78 2.36 0.00 0.00 0.00 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 1.12 0.00 0.00 16 Y 9.12 5.10 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 17 H 8.51 4.82 0.00 3.38 3.46 0.00 5.52 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 H 8.10 4.13 0.00 3.00 2.98 0.00 5.70 0.00 0.00 0.00 0.00 6.76 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 4.29 0.00 2.14 2.19 0.00 2.90 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.91 0.00 20 E 7.95 4.37 0.00 1.45 1.56 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 2.09 2.17 0.00 21 H 8.39 4.76 0.00 2.80 3.00 0.00 5.64 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 A 8.17 4.17 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 K 8.94 4.10 0.00 2.01 2.03 0.00 1.68 0.00 0.00 1.78 0.00 0.00 3.06 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.41 7.81 24 T 7.65 4.95 4.28 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 1.31 0.00 0.00 25 A 8.55 3.50 1.04 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 26 F 8.06 4.60 0.00 2.75 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 27 D 7.99 4.77 0.00 2.44 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 0.00 0.00 0.00 0.00 28 L 8.67 4.06 0.00 1.85 1.67 1.23 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 29 Q 7.97 4.15 0.00 2.13 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.45 0.00 0.00 0.00 0.00 0.00 2.34 2.44 0.00 30 G 9.11 4.03 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 0.00 0.00 0.00 31 M 8.00 4.44 0.00 1.90 1.96 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.53 0.00 32 E 8.55 5.17 0.00 1.89 1.87 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 2.23 2.31 0.00 33 G 8.20 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 34 E 7.77 5.10 0.00 1.78 1.72 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 2.16 2.20 0.00 35 V 8.62 3.84 2.04 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 0.94 0.00 0.00 0.93 0.00 0.00 36 A 8.88 4.22 1.20 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 0.00 0.00 0.00 37 A 7.33 4.26 1.20 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 0.00 0.00 0.00 38 V 8.19 4.69 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 0.87 0.00 0.00 0.93 0.00 0.00 39 L 8.23 4.12 0.00 1.62 1.71 1.01 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 40 T 8.75 4.69 4.26 0.00 0.00 0.00 0.00 0.00 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 41 G 7.69 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 0.00 0.00 0.00 0.00 42 W 8.67 4.58 0.00 3.17 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 43 Q 9.19 3.13 0.00 1.23 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.32 0.00 0.00 0.00 0.00 0.00 1.89 1.62 0.00 44 G 8.43 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 R 7.74 4.14 0.00 2.20 1.98 0.00 3.37 0.00 0.00 3.50 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.80 0.00 46 P 0.00 4.76 0.00 2.20 2.07 0.00 3.77 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.01 0.00 47 I 8.13 4.60 2.04 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.06 0.97 0.00 0.00 48 S 8.36 4.75 0.00 3.94 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 49 A 7.92 4.32 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 50 N 8.66 4.75 0.00 2.83 2.94 0.00 0.00 5.93 7.79 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 51 L 7.35 4.87 0.00 1.59 1.63 0.88 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.29 0.00 2.21 2.32 0.00 3.89 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 2.04 2.00 0.00 53 V 7.40 3.70 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.97 0.00 0.00 54 L 8.85 4.74 0.00 1.67 1.61 0.63 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 55 V 9.10 4.61 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 0.20 0.00 0.00 0.82 0.00 0.00 56 K 8.28 4.56 0.00 1.78 1.51 0.00 1.59 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.37 7.81 57 F 9.07 5.28 0.00 3.40 3.19 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 58 E 9.35 3.96 0.00 2.10 2.04 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 2.41 2.50 0.00 59 Q 8.54 3.19 0.00 2.26 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.50 0.00 0.00 0.00 0.00 0.00 2.30 2.39 0.00 60 A 8.48 4.43 1.30 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 0.00 0.00 0.00 61 F 7.65 4.79 0.00 3.00 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 62 K 7.77 4.98 0.00 1.69 1.63 0.00 1.61 0.00 0.00 1.69 0.00 0.00 2.73 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.24 1.35 7.81 63 A 8.69 4.51 1.20 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 0.00 0.00 0.00 64 H 8.68 5.17 0.00 2.92 3.47 0.00 5.85 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 F 9.26 5.10 0.00 2.99 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 66 R 10.64 4.69 0.00 2.11 1.89 0.00 3.20 0.00 0.00 3.20 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 67 P 0.00 4.26 0.00 2.20 2.15 0.00 3.64 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 2.15 2.18 0.00 68 D 8.05 4.59 0.00 2.70 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 69 E 8.54 4.48 0.00 2.38 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 2.42 2.42 0.00 70 V 7.55 4.98 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 0.23 0.00 0.00 0.95 0.00 0.00 71 T 8.59 4.67 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 1.20 0.00 0.00 72 L 8.63 4.40 0.00 1.62 1.56 0.90 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 73 I 7.89 4.20 1.98 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 1.26 0.94 0.91 0.00 0.00