NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1001 A 4.3254 8.2493 123.5831 52.2483 19.8214 175.7208 1002 S 4.4966 8.2812 115.4958 55.1867 66.2576 171.0985 1003 K 4.5989 8.9477 119.9791 54.3765 35.5557 177.2547 1004 K 3.9196 8.5392 118.8290 57.1479 32.5169 176.3770 1005 S 3.6543 8.6346 108.8053 58.6046 60.7870 171.8186 1006 V 3.5416 7.7214 124.9360 61.9562 32.0076 177.1968 1007 R 3.9988 8.3668 120.8331 56.1374 29.9698 177.4662 1008 W 4.4887 9.0383 135.0000 59.8932 28.4161 174.1429 1009 C 3.6923 6.5399 117.4698 54.4790 43.4791 173.0165 1010 T 4.2186 7.4457 112.7244 62.7095 70.7235 171.6632 1011 T 4.8250 8.1835 111.6531 62.1834 69.5490 175.5466 1012 S 4.6841 8.2020 115.2285 56.7931 62.3780 174.0878 1013 P 4.2097 0.0000 0.0000 63.6743 30.9207 177.1644 1014 A 3.3447 8.9885 115.1115 55.2009 18.1156 177.6763 1015 E 3.4847 9.1432 112.4325 61.0076 30.3671 177.9274 1016 S 4.3102 8.0215 113.6802 59.6385 62.8932 175.6974 1017 K 3.7616 7.9560 120.6404 60.5589 31.6203 177.7542 1018 K 4.0198 8.0926 115.0238 57.8269 32.5387 179.2068 1019 C 4.6065 8.9791 121.1891 59.2227 43.5858 175.2747 1020 A 3.7494 7.2567 121.9016 54.2356 19.1869 177.8932 1021 Q 3.8170 9.6693 114.6486 57.2770 27.6846 178.4885 1022 W 4.5126 9.0200 117.2645 56.0756 28.8943 176.9621 1023 Q 5.2907 8.1470 115.3204 55.1630 30.0533 176.1118 1024 R 4.4832 7.4728 112.7417 55.2408 32.2104 175.9551 1025 R 3.7627 10.6400 116.5964 57.7517 30.5803 177.3694 1026 M 3.6195 7.4067 117.8819 58.0233 32.1838 175.1515 1027 K 4.6265 8.0156 117.9471 53.7162 33.3335 176.6030 1028 K 5.2854 8.1990 135.0000 57.1373 35.0699 174.6942 1029 V 3.7025 7.0758 120.9485 62.9901 31.8306 175.8728 1030 R 5.0751 8.1066 114.7842 56.1573 29.1957 175.9899 1031 G 3.8398 8.4536 106.6443 45.5047 0.0000 174.6543 1032 P 3.9040 0.0000 0.0000 63.1951 27.4723 175.7376 1033 S 4.7054 8.1669 122.0079 57.3090 62.3873 174.6102 1034 V 4.5675 8.3062 121.3464 60.1161 34.3098 174.5747 1035 T 4.8489 8.1805 122.3804 61.4053 68.8498 172.0153 1036 C 5.1055 8.6637 117.9942 53.3383 44.9944 177.1152 1037 V 3.8877 9.0466 114.9667 61.3311 30.4405 170.0613 1038 K 3.9214 7.9780 121.5769 54.0832 33.0094 173.5928 1039 K 3.9306 8.0822 122.4704 55.3619 33.2664 176.5009 1040 T 4.6821 8.2286 118.5592 59.7654 66.4546 172.6956 1041 S 4.6927 7.0498 119.7448 59.2869 67.7721 178.2967 1042 R 4.3086 8.3867 119.7170 57.0924 30.8984 176.2847 1043 F 4.5053 8.1176 117.4132 58.5942 40.8683 175.1747 1044 E 3.7552 9.0045 121.0507 58.7132 28.2904 176.8208 1045 C 4.1082 5.7800 116.5536 56.4171 40.3569 173.9913 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 A 8.25 4.33 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 1002 S 8.28 4.50 0.00 4.03 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1003 K 8.95 4.60 0.00 1.84 1.81 0.00 1.52 0.00 0.00 1.71 0.00 0.00 2.88 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.30 1.48 7.81 1004 K 8.54 3.92 0.00 1.75 1.90 0.00 1.79 0.00 0.00 1.76 0.00 0.00 3.15 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.47 1.55 7.81 1005 S 8.63 3.65 0.00 4.11 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 1006 V 7.72 3.54 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 0.73 0.00 0.00 0.95 0.00 0.00 1007 R 8.37 4.00 0.00 1.83 1.95 0.00 3.26 0.00 0.00 3.17 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 1008 W 9.04 4.49 0.00 3.46 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1009 C 6.54 3.69 0.00 2.83 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 1010 T 7.45 4.22 4.34 0.00 0.00 0.00 0.00 0.00 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 1011 T 8.18 4.83 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 1.21 0.00 0.00 1012 S 8.20 4.68 0.00 3.95 3.21 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 1013 P 0.00 4.21 0.00 2.20 2.11 0.00 3.70 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.13 0.00 1014 A 8.99 3.34 1.36 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 0.00 0.00 0.00 0.00 0.00 0.00 1015 E 9.14 3.48 0.00 2.11 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 2.41 2.50 0.00 1016 S 8.02 4.31 0.00 3.97 3.88 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 1017 K 7.96 3.76 0.00 1.85 1.78 0.00 1.81 0.00 0.00 1.83 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.54 1.52 7.81 1018 K 8.09 4.02 0.00 1.89 1.98 0.00 1.77 0.00 0.00 2.02 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.57 1.43 7.81 1019 C 8.98 4.61 0.00 3.14 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 1020 A 7.26 3.75 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 1021 Q 9.67 3.82 0.00 2.02 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 7.13 0.00 0.00 0.00 0.00 0.00 2.50 2.61 0.00 1022 W 9.02 4.51 0.00 3.06 2.49 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 1023 Q 8.15 5.29 0.00 2.07 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.71 0.00 0.00 0.00 0.00 0.00 2.34 2.20 0.00 1024 R 7.47 4.48 0.00 1.64 1.98 0.00 3.16 0.00 0.00 3.18 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.57 0.00 1025 R 10.64 3.76 0.00 0.67 1.11 0.00 2.87 0.00 0.00 2.90 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.17 0.00 1026 M 7.41 3.62 0.00 2.29 1.82 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.59 0.00 1027 K 8.02 4.63 0.00 1.68 1.61 0.00 1.94 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.31 1.34 7.81 1028 K 8.20 5.29 0.00 1.72 1.78 0.00 1.72 0.00 0.00 1.55 0.00 0.00 2.91 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.19 1.15 7.81 1029 V 7.08 3.70 2.05 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 1.07 0.00 0.00 0.90 0.00 0.00 1030 R 8.11 5.08 0.00 1.96 2.08 0.00 3.36 0.00 0.00 3.28 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.51 0.00 1031 G 8.45 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1032 P 0.00 3.90 0.00 2.25 2.31 0.00 3.93 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 2.16 2.03 0.00 1033 S 8.17 4.71 0.00 3.84 3.86 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 0.00 0.00 0.00 1034 V 8.31 4.57 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 0.99 0.00 0.00 1.15 0.00 0.00 1035 T 8.18 4.85 4.45 0.00 0.00 0.00 0.00 0.00 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 1036 C 8.66 5.11 0.00 3.19 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 1037 V 9.05 3.89 2.11 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 0.74 0.00 0.00 0.95 0.00 0.00 1038 K 7.98 3.92 0.00 1.96 1.81 0.00 1.73 0.00 0.00 1.73 0.00 0.00 2.83 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.42 7.81 1039 K 8.08 3.93 0.00 2.00 2.46 0.00 1.64 0.00 0.00 1.72 0.00 0.00 2.82 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.40 1.41 7.81 1040 T 8.23 4.68 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 1041 S 7.05 4.69 0.00 3.95 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 1042 R 8.39 4.31 0.00 1.68 1.89 0.00 3.41 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 1.48 1.44 0.00 1043 F 8.12 4.51 0.00 2.95 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 1044 E 9.00 3.76 0.00 2.01 1.80 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 2.27 2.27 0.00 1045 C 5.78 4.11 0.00 3.06 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