NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1001 M 5.1816 8.2048 120.0649 55.7254 33.0832 174.4440 1002 E 4.5455 8.2634 123.5047 54.4544 32.8383 173.7692 1003 Q 5.0680 9.3287 120.2877 54.5850 32.4165 174.5921 1004 K 4.5856 9.6770 124.1366 54.8925 36.0468 176.0583 1005 T 4.6832 8.2508 120.8350 61.6167 67.4130 173.0117 1006 L 4.0575 7.8346 124.3161 54.6745 43.6300 175.7430 1007 Q 4.5775 8.6736 125.2898 55.5222 30.3493 174.3806 1008 V 4.8790 9.7265 126.9330 61.1848 34.7843 173.8425 1009 E 4.6877 9.0136 127.1959 55.9309 31.6656 176.9160 1010 G 4.1211 9.1662 110.5666 45.9631 0.0000 174.0385 1011 M 3.9541 7.6549 120.0311 55.2503 32.1032 176.0845 1012 S 4.5968 8.6754 115.6884 56.5623 65.0964 173.6875 1013 C 4.7791 7.8422 121.5532 57.1816 33.8378 173.5248 1014 Q 4.0271 8.8866 128.8601 59.6524 28.7232 177.8244 1015 H 4.3208 8.1150 118.5407 59.6670 30.1644 177.0306 1016 C 4.1731 8.0853 117.8176 62.4502 28.1431 176.0231 1017 V 3.6222 8.4233 120.4687 65.5778 30.8486 177.8111 1018 K 3.8115 7.7904 118.3630 59.7659 31.8464 178.8148 1019 A 4.0402 8.0322 120.6536 54.6588 18.2383 179.6267 1020 V 3.5448 7.8453 116.5152 66.5452 31.5208 177.7652 1021 E 3.9342 8.0610 117.7487 59.8117 29.2707 179.8452 1022 T 3.8886 7.6376 115.7314 66.6932 68.4599 177.2342 1023 S 4.1430 8.2264 115.2040 61.5178 63.0588 176.3737 1024 V 3.8145 8.2014 122.0237 65.2839 30.9588 178.3106 1025 G 3.6282 7.7030 105.0005 47.6252 0.0000 175.0058 1026 E 4.3452 7.8967 118.0533 56.0973 29.8144 176.8900 1027 L 4.2087 7.3225 121.2987 53.6115 42.0785 175.9420 1028 D 4.5825 8.7316 123.6015 55.7027 41.7532 174.8783 1029 G 4.1737 9.2820 116.9737 46.4266 0.0000 173.6968 1030 V 3.9739 7.7821 121.0912 63.0896 31.1110 175.6443 1031 S 4.4891 8.4992 123.8998 58.6646 63.4203 173.8875 1032 A 4.6075 7.4057 121.7742 52.0420 21.7463 175.3698 1033 V 4.6759 8.1222 116.8128 61.0833 34.0651 172.7096 1034 H 4.8906 8.7190 117.8979 54.0833 31.3658 172.6046 1035 V 3.9804 8.9102 123.6612 61.7782 32.6809 175.6603 1036 N 4.5327 9.2617 128.8870 51.2602 37.6654 174.4679 1037 L 3.8276 8.2933 126.4044 57.6139 42.4842 178.9374 1038 E 3.9840 8.2155 115.8456 57.8992 29.8757 176.7985 1039 A 4.3245 8.1580 119.4617 51.1242 19.1998 176.8304 1040 G 4.0163 7.4623 103.6016 45.7094 0.0000 173.4987 1041 K 4.7227 7.8516 116.7419 53.7176 35.8945 177.1565 1042 V 4.6497 8.0907 123.1985 60.8927 30.5146 174.7832 1043 D 4.7474 8.0121 122.3580 55.1655 42.2321 177.3984 1044 V 4.9944 9.7411 123.6023 59.7816 35.3958 174.6226 1045 S 5.8727 8.5459 114.4954 56.1777 66.5659 172.9952 1046 F 5.1167 8.6490 115.8570 57.4652 41.2342 171.6652 1047 D 4.5685 8.6118 119.2387 52.5214 41.2242 177.0786 1048 A 3.6992 7.9154 129.7735 54.3390 18.5263 177.5734 1049 D 4.5782 8.0212 114.3164 55.2140 41.2036 177.1352 1050 K 4.5600 7.9475 117.0221 55.7929 33.8256 175.9531 1051 V 4.3769 7.3070 115.9794 59.8710 33.3630 172.3685 1052 S 5.0059 8.0578 115.3981 56.2026 66.4635 175.1204 1053 V 3.3800 8.2109 121.0550 65.8278 31.0618 177.5768 1054 K 3.9302 8.1053 118.9005 60.0420 31.8306 177.8142 1055 D 4.4228 7.8694 118.3272 57.3061 40.8910 178.6483 1056 I 3.7748 7.5010 119.6168 64.5734 37.1532 177.9560 1057 A 3.9653 9.1628 121.5350 55.5249 18.3635 179.1853 1058 D 4.3105 8.6572 117.5978 57.6480 40.7064 179.0123 1059 A 4.1608 8.6060 120.4862 54.2859 18.4534 179.0422 1060 I 4.0808 7.5175 118.0839 63.7550 37.4340 177.8992 1061 E 4.4539 8.4135 120.9195 58.1177 29.2035 178.3700 1062 D 4.4503 7.8502 117.3204 56.2194 40.9965 177.1593 1063 Q 4.0039 7.6096 117.2847 56.6464 29.0818 176.8472 1064 G 3.7120 8.0901 106.3577 45.2230 0.0000 172.8113 1065 Y 4.6554 7.4243 117.5066 56.6694 41.1020 173.8993 1066 D 5.1176 8.9239 120.2846 52.8425 42.8194 176.3464 1067 V 4.2441 9.7073 126.2360 61.8895 32.1590 176.4838 1068 A 4.1699 8.6409 133.2703 53.4559 16.5947 178.1189 1069 K 4.1486 8.3011 121.0410 55.2622 31.7938 174.9798 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 8.20 5.18 0.00 1.90 2.10 0.00 0.00 0.00 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.31 0.00 1002 E 8.26 4.55 0.00 2.08 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 0.00 2.39 2.41 0.00 1003 Q 9.33 5.07 0.00 1.91 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.72 0.00 0.00 0.00 0.00 0.00 2.31 2.42 0.00 1004 K 9.68 4.59 0.00 1.56 1.62 0.00 1.82 0.00 0.00 1.52 0.00 0.00 3.18 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.35 1.43 7.81 1005 T 8.25 4.68 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 1.39 0.00 0.00 1006 L 7.83 4.06 0.00 1.55 1.56 0.86 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 1007 Q 8.67 4.58 0.00 2.16 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.86 0.00 0.00 0.00 0.00 0.00 2.39 2.40 0.00 1008 V 9.73 4.88 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 0.79 0.00 0.00 0.89 0.00 0.00 1009 E 9.01 4.69 0.00 1.94 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 2.23 2.38 0.00 1010 G 9.17 4.12 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 0.00 0.00 0.00 1011 M 7.65 3.95 0.00 1.61 1.75 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.81 0.00 1012 S 8.68 4.60 0.00 3.93 3.93 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 1013 C 7.84 4.78 0.00 3.01 2.85 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 1014 Q 8.89 4.03 0.00 2.09 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.83 0.00 0.00 0.00 0.00 0.00 2.35 2.43 0.00 1015 H 8.11 4.32 0.00 3.29 3.31 0.00 5.92 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1016 C 8.09 4.17 0.00 3.11 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 1017 V 8.42 3.62 2.13 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 0.97 0.00 0.00 0.79 0.00 0.00 1018 K 7.79 3.81 0.00 1.97 1.83 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.70 7.81 1019 A 8.03 4.04 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.85 3.54 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 1.11 0.00 0.00 1.03 0.00 0.00 1021 E 8.06 3.93 0.00 2.21 2.00 0.00 0.00 0.00 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 2.34 0.00 1022 T 7.64 3.89 4.40 0.00 0.00 0.00 0.00 0.00 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 1023 S 8.23 4.14 0.00 3.99 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.20 3.81 2.17 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 0.97 0.00 0.00 0.91 0.00 0.00 1025 G 7.70 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1026 E 7.90 4.35 0.00 1.98 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 2.35 2.35 0.00 1027 L 7.32 4.21 0.00 1.83 1.62 0.94 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 1028 D 8.73 4.58 0.00 2.63 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1029 G 9.28 4.17 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 0.00 0.00 0.00 1030 V 7.78 3.97 2.42 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 0.89 0.00 0.00 1.05 0.00 0.00 1031 S 8.50 4.49 0.00 3.90 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 1032 A 7.41 4.61 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 1033 V 8.12 4.68 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 0.67 0.00 0.00 0.96 0.00 0.00 1034 H 8.72 4.89 0.00 3.10 3.24 0.00 5.74 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1035 V 8.91 3.98 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 0.60 0.00 0.00 0.86 0.00 0.00 1036 N 9.26 4.53 0.00 2.64 2.61 0.00 0.00 6.36 6.67 0.00 0.00 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 L 8.29 3.83 0.00 1.69 1.64 0.87 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 1038 E 8.22 3.98 0.00 1.96 1.97 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 2.27 2.34 0.00 1039 A 8.16 4.32 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 1040 G 7.46 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 1041 K 7.85 4.72 0.00 1.67 1.77 0.00 1.59 0.00 0.00 1.56 0.00 0.00 2.84 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.31 1.51 7.81 1042 V 8.09 4.65 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 0.73 0.00 0.00 0.85 0.00 0.00 1043 D 8.01 4.75 0.00 2.75 2.65 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 0.00 0.00 0.00 0.00 1044 V 9.74 4.99 2.00 0.00 0.00 0.00 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 0.89 0.00 0.00 1045 S 8.55 5.87 0.00 4.00 3.99 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 0.00 0.00 0.00 0.00 1046 F 8.65 5.12 0.00 3.12 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 1047 D 8.61 4.57 0.00 2.65 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1048 A 7.92 3.70 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 1049 D 8.02 4.58 0.00 2.75 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.95 4.56 0.00 1.79 1.82 0.00 1.92 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.35 1.30 7.81 1051 V 7.31 4.38 2.43 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 0.96 0.00 0.00 0.98 0.00 0.00 1052 S 8.06 5.01 0.00 4.08 4.06 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 1053 V 8.21 3.38 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 0.94 0.00 0.00 0.88 0.00 0.00 1054 K 8.11 3.93 0.00 1.83 1.81 0.00 1.80 0.00 0.00 1.82 0.00 0.00 3.37 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.51 1.50 7.81 1055 D 7.87 4.42 0.00 2.73 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.50 3.77 1.93 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.17 0.80 0.00 0.00 1057 A 9.16 3.97 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 1058 D 8.66 4.31 0.00 2.84 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 1059 A 8.61 4.16 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1060 I 7.52 4.08 2.03 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.88 1.01 0.00 0.00 1061 E 8.41 4.45 0.00 1.99 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 0.00 2.44 2.40 0.00 1062 D 7.85 4.45 0.00 2.70 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 1063 Q 7.61 4.00 0.00 2.18 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.87 0.00 0.00 0.00 0.00 0.00 2.42 2.60 0.00 1064 G 8.09 3.71 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 0.00 0.00 0.00 1065 Y 7.42 4.66 0.00 2.91 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 1066 D 8.92 5.12 0.00 2.60 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1067 V 9.71 4.24 2.17 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 0.70 0.00 0.00 0.95 0.00 0.00 1068 A 8.64 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 1069 K 8.30 4.15 0.00 1.94 1.65 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.26 0.98 7.81