NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1000 M 4.2818 8.1633 120.3489 56.5296 33.2759 175.9181 1001 N 4.1289 8.8894 121.3244 53.2837 36.4443 172.3511 1002 Q 4.4086 7.9648 119.7596 55.0121 30.3449 175.0074 1003 A 4.7610 8.5566 126.4247 51.0164 21.1586 175.9738 1004 S 5.1814 8.6604 116.6009 56.3041 66.8385 173.7420 1005 V 4.1861 8.5037 122.4863 63.0673 32.4839 175.0602 1006 V 4.8967 8.6888 127.1847 60.5856 35.0844 174.3539 1007 A 4.5712 8.8993 129.8876 52.4227 18.8063 177.4457 1008 N 4.6699 9.2847 121.6440 54.6972 39.5254 174.3987 1009 Q 4.6536 7.6509 114.7001 54.8279 33.3278 173.8190 1010 L 4.1170 8.5492 123.0436 55.9576 42.9287 176.3079 1011 I 4.3788 8.6401 127.4625 58.9351 38.6812 173.6659 1012 P 4.6617 0.0000 0.0000 61.7786 32.1828 176.3387 1013 I 3.5934 8.3950 121.5363 62.4513 38.4610 174.9078 1014 N 4.3223 8.5238 123.8707 54.8027 36.9722 174.0002 1015 T 4.6866 7.6253 113.0762 61.5873 71.2479 174.0625 1016 A 4.6252 8.5209 128.0862 51.6104 19.3190 177.2478 1017 L 4.2588 9.2097 124.3930 55.0282 43.0425 176.5911 1018 T 4.8546 8.2874 112.1911 59.4632 72.2825 174.9485 1019 L 4.0104 8.5579 121.4758 58.0583 41.7592 180.1663 1020 V 3.8031 7.1265 110.9656 63.7489 31.7686 177.0609 1021 M 4.1580 8.1199 119.2722 56.6855 32.1587 175.1786 1022 M 5.1477 7.7320 118.0364 53.4163 33.8263 175.7703 1023 R 4.5865 8.6992 121.9080 55.0169 32.2979 175.2476 1024 S 5.2825 8.2931 112.5863 56.9923 66.0535 173.2210 1025 E 4.6925 8.7005 119.3160 55.2373 34.5254 174.9001 1026 V 4.3737 8.3759 123.3030 62.3678 31.5098 175.4222 1027 V 4.6287 8.2458 120.2605 59.5406 35.5871 175.2416 1028 T 4.6687 8.0561 110.6522 58.8028 71.2502 172.2635 1029 P 4.3946 0.0000 0.0000 62.5397 32.0067 175.8643 1030 V 3.8214 8.2067 119.5787 62.7451 32.4246 175.9441 1031 G 4.2313 8.4170 117.1322 45.2758 0.0000 172.7737 1032 I 3.9223 8.2352 122.1891 61.0977 38.2111 174.4813 1033 P 4.7326 0.0000 0.0000 62.3138 32.1906 177.2768 1034 A 3.9513 8.7006 125.1513 55.6440 18.0243 180.1722 1035 E 4.0701 8.1553 115.1887 58.8684 29.7258 178.0155 1036 D 4.7008 8.2696 118.2187 54.5181 41.2214 177.9090 1037 I 3.7023 7.7475 122.2982 64.2839 36.7838 176.1063 1038 P 4.2909 0.0000 0.0000 65.8110 30.9407 178.8361 1039 R 3.9933 7.6536 115.8766 59.2324 30.2058 178.8390 1040 L 4.2376 7.8703 118.2022 56.0560 41.5812 177.6033 1041 V 3.8718 6.7806 118.9641 64.3168 31.6943 176.1769 1042 S 4.3557 9.1962 121.9542 58.3582 63.1470 169.3787 1043 M 4.3752 7.9965 121.2876 55.5241 33.1950 175.3447 1044 Q 5.3737 8.3906 120.0841 54.0308 31.3805 175.6919 1045 V 4.3315 8.3096 115.8511 61.1796 32.8511 176.0453 1046 N 4.8852 8.7733 120.3747 52.4588 38.4038 174.0531 1047 R 4.5419 7.5213 113.3050 55.2377 32.1253 174.2620 1048 A 4.2504 8.6623 122.5156 52.2663 19.2733 177.2165 1049 V 4.1983 8.8472 123.1784 60.2841 33.4063 173.4045 1050 P 4.6356 0.0000 0.0000 62.0204 32.6628 175.9539 1051 L 3.9614 8.4799 123.5490 57.1594 42.1701 177.7624 1052 G 3.9619 8.9342 113.4969 45.6777 0.0000 173.5817 1053 T 4.2202 7.6163 117.3954 63.3345 69.8424 174.2006 1054 T 4.4363 8.3597 122.6612 63.3259 69.4579 173.8588 1055 L 4.2055 8.9404 129.7587 54.9006 43.2684 175.8956 1056 M 4.8538 8.3820 125.2155 52.6877 34.5970 175.0942 1057 P 3.9877 0.0000 0.0000 65.6713 31.5557 177.3416 1058 D 4.6651 8.0248 114.5473 54.2011 39.7811 176.4398 1059 M 4.5131 8.1601 119.2237 54.7344 33.0708 175.4763 1060 V 4.6552 7.3161 119.3970 60.2355 33.6282 174.6502 1061 K 4.0945 8.9945 128.0490 58.0299 32.1607 177.4755 1062 G 3.9201 8.9724 111.0733 45.7890 0.0000 172.7640 1063 Y 4.1231 7.8523 120.8404 57.1430 39.3679 174.8504 1064 A 4.2961 7.1699 127.8225 49.9434 22.4203 175.7813 1065 A 3.9719 8.3273 123.2598 52.4687 18.4011 177.5390 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 1000 M 8.16 4.28 0.00 2.07 2.00 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 2.56 2.57 0.00 1001 N 8.89 4.13 0.00 3.01 2.94 0.00 0.00 7.06 6.81 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 1002 Q 7.96 4.41 0.00 2.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.74 0.00 0.00 0.00 0.00 0.00 2.54 2.46 0.00 1003 A 8.56 4.76 1.23 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 0.00 0.00 0.00 0.00 0.00 1004 S 8.66 5.18 0.00 3.74 3.72 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 1005 V 8.50 4.19 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 0.95 0.00 0.00 1.00 0.00 0.00 1006 V 8.69 4.90 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 0.96 0.00 0.00 0.92 0.00 0.00 1007 A 8.90 4.57 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 1008 N 9.28 4.67 0.00 2.75 2.97 0.00 0.00 7.07 7.04 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 1009 Q 7.65 4.65 0.00 1.92 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.66 0.00 0.00 0.00 0.00 0.00 2.26 2.35 0.00 1010 L 8.55 4.12 0.00 1.63 1.58 0.97 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 1011 I 8.64 4.38 1.86 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 1.22 0.66 0.90 0.00 0.00 1012 P 0.00 4.66 0.00 1.93 1.98 0.00 3.70 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 1013 I 8.40 3.59 1.87 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 1.34 0.73 0.91 0.00 0.00 1014 N 8.52 4.32 0.00 2.92 2.88 0.00 0.00 6.88 7.57 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 1015 T 7.63 4.69 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 1.21 0.00 0.00 1016 A 8.52 4.63 1.28 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 0.00 0.00 0.00 1017 L 9.21 4.26 0.00 1.75 1.60 0.93 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 1018 T 8.29 4.85 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 1.26 0.00 0.00 1019 L 8.56 4.01 0.00 1.73 1.76 0.92 0.87 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 1020 V 7.13 3.80 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 0.66 0.00 0.00 0.93 0.00 0.00 1021 M 8.12 4.16 0.00 2.08 2.23 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.63 0.00 1022 M 7.73 5.15 0.00 1.87 1.98 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.42 0.00 1023 R 8.70 4.59 0.00 1.89 2.07 0.00 2.84 0.00 0.00 3.21 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.59 0.00 1024 S 8.29 5.28 0.00 3.89 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1025 E 8.70 4.69 0.00 1.92 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 2.25 0.00 1026 V 8.38 4.37 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 0.85 0.00 0.00 0.90 0.00 0.00 1027 V 8.25 4.63 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 0.82 0.00 0.00 0.97 0.00 0.00 1028 T 8.06 4.67 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 1.21 0.00 0.00 1029 P 0.00 4.39 0.00 2.19 2.10 0.00 3.75 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 1030 V 8.21 3.82 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 0.80 0.00 0.00 0.99 0.00 0.00 1031 G 8.42 4.23 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 0.00 0.00 0.00 0.00 0.00 0.00 1032 I 8.24 3.92 1.72 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.51 0.80 0.00 0.00 1033 P 0.00 4.73 0.00 2.11 2.08 0.00 3.87 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.12 0.00 1034 A 8.70 3.95 1.37 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 1035 E 8.16 4.07 0.00 1.95 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 0.00 2.32 2.47 0.00 1036 D 8.27 4.70 0.00 2.87 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 1037 I 7.75 3.70 1.95 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 1.51 0.98 0.91 0.00 0.00 1038 P 0.00 4.29 0.00 2.17 2.12 0.00 3.69 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 2.19 0.00 1039 R 7.65 3.99 0.00 1.98 2.06 0.00 3.19 0.00 0.00 3.22 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.71 0.00 1040 L 7.87 4.24 0.00 1.89 1.71 0.84 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 1041 V 6.78 3.87 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 0.83 0.00 0.00 0.98 0.00 0.00 1042 S 9.20 4.36 0.00 4.14 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 0.00 1043 M 8.00 4.38 0.00 2.05 2.16 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 2.57 0.00 1044 Q 8.39 5.37 0.00 2.01 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.08 0.00 0.00 0.00 0.00 0.00 2.39 2.22 0.00 1045 V 8.31 4.33 2.16 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 0.73 0.00 0.00 1.00 0.00 0.00 1046 N 8.77 4.89 0.00 2.83 3.02 0.00 0.00 6.69 7.30 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 1047 R 7.52 4.54 0.00 1.78 1.89 0.00 3.03 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.59 0.00 1048 A 8.66 4.25 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 1049 V 8.85 4.20 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 1.03 0.00 0.00 0.98 0.00 0.00 1050 P 0.00 4.64 0.00 2.10 1.95 0.00 3.66 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.08 0.00 1051 L 8.48 3.96 0.00 1.57 1.59 0.97 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 1052 G 8.93 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 1053 T 7.62 4.22 4.27 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 1.19 0.00 0.00 1054 T 8.36 4.44 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 1.19 0.00 0.00 1055 L 8.94 4.21 0.00 1.70 1.45 0.86 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 1056 M 8.38 4.85 0.00 2.04 2.05 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.60 0.00 1057 P 0.00 3.99 0.00 2.12 2.40 0.00 3.66 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 2.09 2.13 0.00 1058 D 8.02 4.67 0.00 2.80 2.79 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 1059 M 8.16 4.51 0.00 2.06 2.18 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.39 0.00 1060 V 7.32 4.66 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 1.15 0.00 0.00 0.79 0.00 0.00 1061 K 8.99 4.09 0.00 1.76 1.78 0.00 1.96 0.00 0.00 1.72 0.00 0.00 2.94 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.49 1.54 7.81 1062 G 8.97 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 1063 Y 7.85 4.12 0.00 2.98 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 1064 A 7.17 4.30 1.03 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 1065 A 8.33 3.97 1.25 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 0.00 0.00 0.00