NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1001 M 4.4739 8.1476 118.1902 54.8608 32.7745 176.6957 1002 Q 4.2598 8.3467 117.6011 55.6587 28.0977 173.9765 1003 D 5.1512 10.6100 119.6459 54.0925 46.2110 175.6541 1004 C 4.3969 9.6063 120.5180 55.7831 42.3471 173.8609 1005 G 4.3166 8.3953 112.0869 45.0489 0.0000 173.4579 1006 L 4.3540 8.7478 122.2642 54.2356 42.2560 175.3472 1007 P 3.0399 0.0000 0.0000 61.0387 31.9094 174.3327 1008 P 4.2644 0.0000 0.0000 62.6837 31.7481 175.6873 1009 D 4.6058 8.4339 120.2209 53.2830 41.5656 175.7055 1010 V 4.1800 8.0922 126.5175 60.1315 33.1303 173.0333 1011 P 4.1277 0.0000 0.0000 63.8495 31.7726 175.9941 1012 N 4.2457 9.1380 117.8154 53.5548 35.6476 173.1037 1013 A 5.0999 7.4291 118.5417 50.2941 22.7576 176.2961 1014 Q 4.7043 9.0315 118.1662 53.4221 32.4443 173.6511 1015 P 4.2814 0.0000 0.0000 62.2552 32.8016 175.6954 1016 A 4.4853 7.9677 123.6799 50.9150 19.2030 176.9819 1017 L 4.4702 8.6272 121.6048 54.7143 42.9687 177.2345 1018 E 3.7619 9.3065 116.6237 57.3288 26.9098 175.3218 1019 G 3.9472 8.8206 104.2761 45.2749 0.0000 173.7782 1020 R 4.6399 7.5765 114.9576 54.2177 32.0976 175.4587 1021 T 4.5492 8.0595 106.2402 61.1278 70.2713 173.7351 1022 S 4.8510 7.1646 116.1874 56.5268 65.5503 172.8884 1023 F 5.0675 9.1038 124.3354 54.9989 43.0788 172.7373 1024 P 5.1045 0.0000 0.0000 61.3950 32.8859 175.2113 1025 E 3.9303 8.0718 121.5330 58.3786 29.8226 177.4084 1026 D 4.7301 9.5731 124.5626 54.4760 39.7090 174.6983 1027 T 4.1316 7.7641 117.7578 63.6085 69.5817 173.3702 1028 V 4.8518 8.5106 126.1773 61.3484 33.4731 174.5448 1029 I 4.4036 8.8671 129.2816 59.8435 39.6690 174.7089 1030 T 4.9499 8.3236 123.3488 62.4139 70.6279 173.2654 1031 Y 5.0710 9.3407 123.5350 56.4022 40.4648 175.2355 1032 K 4.8234 8.9533 121.9863 54.4945 35.1033 175.3546 1033 C 4.5799 9.0277 122.1193 57.3663 35.7406 173.5152 1034 E 4.3970 9.0713 122.3154 55.0298 31.1018 175.7058 1035 E 3.8864 8.7262 120.8794 58.6003 29.7363 176.9247 1036 S 3.9752 8.9712 119.4796 58.8129 60.2581 169.7813 1037 F 4.8094 8.1320 118.2786 55.4824 42.0022 174.6273 1038 V 4.5070 8.1171 123.2916 60.3224 34.1310 174.7850 1039 K 4.4283 8.5936 125.8500 57.1955 33.7675 176.3340 1040 I 4.2066 9.3148 124.7369 59.9052 38.1715 173.6377 1041 P 4.1053 0.0000 0.0000 63.8821 31.7890 176.6456 1042 G 3.8924 9.0172 110.9567 46.1478 0.0000 172.7822 1043 E 4.7723 7.4547 115.8876 53.5618 32.8363 176.2784 1044 K 4.0603 8.4242 121.3625 56.7766 32.7926 176.5217 1045 D 3.5561 8.2391 120.3607 52.2170 41.0978 174.6507 1046 S 5.2291 7.7414 111.7065 57.7675 66.3740 173.0039 1047 V 4.6976 9.0898 113.5326 59.6221 35.9039 174.4695 1048 I 5.2853 8.7908 121.3000 59.5119 41.7021 173.4709 1049 C 4.1321 9.1442 129.4446 56.1658 40.5346 172.8303 1050 L 5.1257 8.4037 127.7062 52.5221 44.4067 176.3069 1051 K 3.7947 8.3946 118.9545 58.5044 32.2390 177.7863 1052 G 3.7624 8.5979 110.0375 44.9117 0.0000 172.9124 1053 S 3.5244 7.7502 111.0904 59.4640 60.2693 170.7318 1054 Q 4.6207 7.5326 120.4673 54.0285 32.2211 174.8335 1055 W 5.1745 8.8412 125.8344 55.8730 30.4127 176.4113 1056 S 4.4914 8.8662 117.8687 58.2848 63.3577 173.9490 1057 D 4.6247 8.5521 120.7212 54.4904 41.4049 175.9551 1058 I 4.4737 7.8527 120.4852 59.7210 41.0289 173.9953 1059 E 4.6876 8.3725 126.0872 53.9681 31.8855 175.5901 1060 E 3.9074 8.6824 120.1768 57.5250 29.9121 177.2264 1061 F 5.1152 8.3184 115.5584 56.3309 39.1097 175.6908 1062 C 4.9550 7.6303 123.2651 56.5998 41.4634 173.6626 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 1001 M 8.15 4.47 0.00 2.20 2.25 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 2.57 2.53 0.00 1002 Q 8.35 4.26 0.00 2.25 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.84 0.00 0.00 0.00 0.00 0.00 2.39 2.49 0.00 1003 D 10.61 5.15 0.00 2.57 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1004 C 9.61 4.40 0.00 2.18 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 1005 G 8.40 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 1006 L 8.75 4.35 0.00 1.76 1.68 0.98 1.15 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 1007 P 0.00 3.04 0.00 1.54 0.49 0.00 3.66 0.00 0.00 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.20 0.00 1008 P 0.00 4.26 0.00 1.97 2.00 0.00 3.38 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.06 0.00 1009 D 8.43 4.61 0.00 2.63 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 1010 V 8.09 4.18 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 0.83 0.00 0.00 0.35 0.00 0.00 1011 P 0.00 4.13 0.00 2.08 1.87 0.00 3.72 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.03 0.00 1012 N 9.14 4.25 0.00 2.05 1.42 0.00 0.00 7.24 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 1013 A 7.43 5.10 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 1014 Q 9.03 4.70 0.00 1.93 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.90 0.00 0.00 0.00 0.00 0.00 2.42 2.41 0.00 1015 P 0.00 4.28 0.00 1.47 0.49 0.00 3.67 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 1.75 1.67 0.00 1016 A 7.97 4.49 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 1017 L 8.63 4.47 0.00 1.80 2.13 0.99 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 1018 E 9.31 3.76 0.00 2.15 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 2.24 2.34 0.00 1019 G 8.82 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 0.00 0.00 0.00 1020 R 7.58 4.64 0.00 1.56 1.75 0.00 2.93 0.00 0.00 3.12 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.72 0.00 1021 T 8.06 4.55 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 1.22 0.00 0.00 1022 S 7.16 4.85 0.00 3.75 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1023 F 9.10 5.07 0.00 3.04 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 1024 P 0.00 5.10 0.00 2.12 2.17 0.00 4.04 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.83 0.00 1025 E 8.07 3.93 0.00 1.93 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.25 0.00 1026 D 9.57 4.73 0.00 2.75 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 1027 T 7.76 4.13 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 1028 V 8.51 4.85 2.12 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 0.88 0.00 0.00 1.03 0.00 0.00 1029 I 8.87 4.40 1.38 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.35 0.32 0.00 0.00 1030 T 8.32 4.95 4.21 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 1.26 0.00 0.00 1031 Y 9.34 5.07 0.00 2.93 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1032 K 8.95 4.82 0.00 1.69 1.73 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.87 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.41 7.81 1033 C 9.03 4.58 0.00 2.89 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 1034 E 9.07 4.40 0.00 1.88 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 2.31 2.19 0.00 1035 E 8.73 3.89 0.00 1.97 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 2.32 2.39 0.00 1036 S 8.97 3.98 0.00 3.90 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 1037 F 8.13 4.81 0.00 3.10 2.77 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 1038 V 8.12 4.51 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 1.09 0.00 0.00 0.93 0.00 0.00 1039 K 8.59 4.43 0.00 2.16 2.01 0.00 1.75 0.00 0.00 1.78 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.59 7.81 1040 I 9.31 4.21 1.95 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 1.26 1.31 0.95 0.00 0.00 1041 P 0.00 4.11 0.00 1.95 2.03 0.00 3.76 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.15 0.00 1042 G 9.02 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1043 E 7.45 4.77 0.00 2.26 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 0.00 2.25 2.37 0.00 1044 K 8.42 4.06 0.00 1.61 1.59 0.00 1.66 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.38 1.37 7.81 1045 D 8.24 3.56 0.00 2.20 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 1046 S 7.74 5.23 0.00 3.94 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 1047 V 9.09 4.70 2.22 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 0.68 0.00 0.00 0.73 0.00 0.00 1048 I 8.79 5.29 1.95 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 1.14 1.72 0.97 0.00 0.00 1049 C 9.14 4.13 0.00 1.82 2.64 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 1050 L 8.40 5.13 0.00 1.57 1.56 0.93 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 1051 K 8.39 3.79 0.00 1.71 1.72 0.00 1.75 0.00 0.00 1.91 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.52 1.37 7.81 1052 G 8.60 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1053 S 7.75 3.52 0.00 4.20 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1054 Q 7.53 4.62 0.00 2.05 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.69 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 1055 W 8.84 5.17 0.00 3.21 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 1056 S 8.87 4.49 0.00 3.93 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 1057 D 8.55 4.62 0.00 2.70 2.64 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 1058 I 7.85 4.47 1.72 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.49 0.65 0.00 0.00 1059 E 8.37 4.69 0.00 1.95 1.83 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 2.21 2.34 0.00 1060 E 8.68 3.91 0.00 1.91 1.81 0.00 0.00 0.00 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 2.28 0.00 1061 F 8.32 5.12 0.00 3.13 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 1062 C 7.63 4.96 0.00 2.50 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