NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3792 8.3049 120.3259 55.2986 33.3134 174.8662 2 V 3.8925 8.0073 114.9294 60.6354 33.6817 172.3960 3 E 4.2104 9.0925 123.7148 57.1697 28.4822 174.6778 4 N 4.4545 7.8290 116.8147 52.1264 38.9981 173.0320 5 P 4.4414 0.0000 0.0000 63.4323 29.6801 175.6979 6 M 4.5693 8.3388 120.9752 54.6790 33.7889 176.6579 7 V 4.5052 7.6422 111.8295 59.1958 34.5547 174.7070 8 I 4.6814 8.0164 115.6212 59.0268 40.6230 174.2795 9 N 4.8177 8.4675 118.5247 52.1128 39.7818 174.2136 10 N 5.1037 8.1016 117.6997 51.2174 40.6849 173.5029 11 W 4.5254 8.6078 118.7904 56.0902 30.9835 177.3501 12 H 4.6919 8.7349 116.4493 54.6453 26.6817 174.9769 13 D 4.5304 8.4370 122.6532 57.0269 41.1578 178.3139 14 K 4.4132 7.7640 121.1517 54.5608 31.0095 175.0351 15 L 4.5749 8.0127 123.4202 56.1458 44.4631 177.3975 16 T 4.1285 7.6652 113.1464 62.8117 69.0656 173.9014 17 E 3.9953 8.5826 124.1454 56.8914 29.1946 176.3066 18 T 4.0741 7.8703 116.6598 61.9347 69.5480 174.0263 19 D 4.7994 7.9495 120.1778 52.7367 42.6494 175.4141 20 V 4.3254 7.5987 117.9004 61.8004 32.6791 174.8914 21 Q 4.6873 8.4220 123.2351 54.8101 32.5897 173.5417 22 I 4.9692 7.9987 119.0686 59.5588 41.2925 176.1788 23 D 4.6734 8.2744 123.2137 52.6911 41.5289 175.4620 24 F 4.2967 8.0718 119.8326 61.7966 39.5805 177.1520 25 Y 4.5272 8.7630 118.2753 61.3414 37.9005 176.1713 26 G 4.2154 8.3864 108.2207 46.0303 0.0000 174.2531 27 D 4.1037 9.3120 120.4056 53.7314 40.1266 176.4081 28 E 5.4253 5.9000 120.2720 56.0446 34.4604 175.4061 29 V 5.0241 8.3903 126.5227 60.3985 33.5052 174.5516 30 T 4.6186 9.2782 116.6058 58.8080 71.6125 172.8908 31 P 4.5820 0.0000 0.0000 63.5129 30.6812 176.9644 32 V 4.1664 7.8650 120.5755 63.5231 33.2047 175.5188 33 D 4.9705 7.3044 119.6026 51.2029 41.2330 175.2354 34 D 5.0728 8.5442 123.0395 54.7278 42.0095 174.7969 35 Y 5.2881 8.0836 119.5410 56.0785 41.4872 173.8289 36 V 4.2988 9.2292 119.0168 61.1290 35.5873 173.9411 37 I 4.7797 8.2465 126.5337 59.9451 39.0981 175.7415 38 D 4.4645 9.1547 129.2961 53.3555 39.5454 176.6464 39 G 3.8831 8.7077 111.1605 46.6159 0.0000 171.8039 40 G 4.0275 8.2574 109.9665 45.2438 0.0000 174.7580 41 E 4.5712 8.0142 120.0797 54.9114 31.3275 174.9619 42 I 4.5780 8.0577 123.4901 60.6526 39.2806 174.8106 43 I 4.7329 8.8823 126.5934 58.9866 41.2560 174.8720 44 L 4.3211 8.6495 126.0887 55.4714 42.3085 178.0243 45 R 4.1098 8.7710 122.5504 58.1568 29.6906 177.3701 46 E 4.1591 8.2860 117.2714 59.0608 29.9711 176.7310 47 N 4.9830 8.1882 114.7622 52.6363 40.2587 175.5483 48 L 3.9929 7.7437 119.7155 58.7650 42.2951 178.3655 49 E 4.0280 8.1974 118.1938 59.4503 29.4523 179.1495 50 R 3.9288 7.9724 118.2395 59.5757 30.1386 177.8361 51 Y 3.7957 7.8270 119.0616 60.5395 38.3598 177.7118 52 L 3.6798 8.6311 120.1973 57.3699 41.3986 179.4746 53 R 3.9422 7.6185 118.1458 59.0182 30.0952 177.6306 54 E 4.2184 7.7248 116.3284 57.8825 30.1338 177.4123 55 Q 4.1973 8.2694 118.2770 57.4446 30.2687 176.8101 56 L 3.6168 7.5409 118.9022 56.8115 39.7926 176.0446 57 G 3.7140 8.6111 104.9903 45.0860 0.0000 174.0088 58 F 4.4183 7.3547 118.7340 55.6664 39.7810 175.2807 59 E 4.2098 8.4624 127.5254 54.5641 28.7010 175.5551 60 F 4.3847 8.6354 126.0769 57.3465 38.7529 176.2109 61 K 4.5507 8.2471 126.7107 54.2619 31.6110 175.8894 62 N 4.6143 8.1194 119.3601 52.3391 39.5941 175.4060 63 A 4.0028 8.7446 122.3174 55.6335 18.3232 179.4111 64 Q 4.2310 7.9406 111.7844 56.3156 28.0058 173.0853 65 L 4.8571 7.3002 115.6532 54.5139 42.9564 177.8793 66 E 4.2992 8.0557 117.1760 56.0338 26.9453 175.0138 67 H 4.7759 7.9220 116.1172 54.1148 28.3654 174.5453 68 H 4.2392 8.4408 124.1892 55.6164 30.3802 174.4083 69 H 4.1755 8.4614 125.9501 56.9582 29.4846 174.2800 70 H 4.6056 8.2880 126.9376 55.1620 32.2862 172.5634 71 H 4.4257 8.7563 127.5167 58.8843 30.1760 174.3054 72 H 4.3913 7.6533 122.1996 56.2926 29.9764 172.3899 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 4.38 0.00 2.02 2.07 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 2.50 2.57 0.00 2 V 8.01 3.89 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 0.75 0.00 0.00 0.93 0.00 0.00 3 E 9.09 4.21 0.00 2.14 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.28 0.00 4 N 7.83 4.45 0.00 2.66 2.73 0.00 0.00 6.98 7.69 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 5 P 0.00 4.44 0.00 2.08 2.02 0.00 3.69 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 6 M 8.34 4.57 0.00 1.97 2.07 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 2.63 2.52 0.00 7 V 7.64 4.51 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 0.85 0.00 0.00 0.92 0.00 0.00 8 I 8.02 4.68 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.67 0.92 0.00 0.00 9 N 8.47 4.82 0.00 2.67 2.69 0.00 0.00 6.64 7.96 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 10 N 8.10 5.10 0.00 2.85 2.79 0.00 0.00 6.14 8.87 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 11 W 8.61 4.53 0.00 3.28 3.32 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 12 H 8.73 4.69 0.00 3.24 3.34 0.00 5.71 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 D 8.44 4.53 0.00 2.68 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 14 K 7.76 4.41 0.00 1.75 1.78 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.38 1.42 7.81 15 L 8.01 4.57 0.00 1.60 1.67 0.95 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 16 T 7.67 4.13 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 17 E 8.58 4.00 0.00 1.93 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 2.30 2.35 0.00 18 T 7.87 4.07 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 19 D 7.95 4.80 0.00 2.58 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 V 7.60 4.33 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 0.83 0.00 0.00 0.91 0.00 0.00 21 Q 8.42 4.69 0.00 2.02 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.69 6.19 0.00 0.00 0.00 0.00 0.00 2.09 2.18 0.00 22 I 8.00 4.97 1.83 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 1.36 0.63 0.89 0.00 0.00 23 D 8.27 4.67 0.00 2.78 2.67 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 0.00 0.00 0.00 0.00 24 F 8.07 4.30 0.00 2.75 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 25 Y 8.76 4.53 0.00 3.14 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 26 G 8.39 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 0.00 0.00 0.00 27 D 9.31 4.10 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 28 E 5.90 5.43 0.00 2.05 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 2.03 1.95 0.00 29 V 8.39 5.02 1.68 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 0.51 0.00 0.00 0.82 0.00 0.00 30 T 9.28 4.62 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 1.17 0.00 0.00 31 P 0.00 4.58 0.00 2.23 2.22 0.00 3.71 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.12 0.00 32 V 7.86 4.17 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 0.84 0.00 0.00 0.94 0.00 0.00 33 D 7.30 4.97 0.00 2.91 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.54 5.07 0.00 2.73 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 35 Y 8.08 5.29 0.00 3.08 2.82 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 36 V 9.23 4.30 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.83 0.00 0.00 37 I 8.25 4.78 1.86 0.00 0.00 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 1.53 0.87 0.96 0.00 0.00 38 D 9.15 4.46 0.00 2.79 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 G 8.71 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 0.00 0.00 0.00 40 G 8.26 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 41 E 8.01 4.57 0.00 1.99 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 2.36 2.33 0.00 42 I 8.06 4.58 2.04 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.11 0.86 0.00 0.00 43 I 8.88 4.73 1.60 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.20 0.60 0.00 0.00 44 L 8.65 4.32 0.00 1.60 1.63 0.96 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 45 R 8.77 4.11 0.00 1.94 1.96 0.00 3.41 0.00 0.00 3.21 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.73 0.00 46 E 8.29 4.16 0.00 2.04 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 0.00 2.34 2.27 0.00 47 N 8.19 4.98 0.00 2.84 2.65 0.00 0.00 6.19 6.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 L 7.74 3.99 0.00 1.91 1.63 0.90 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.20 4.03 0.00 2.03 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 2.41 2.32 0.00 50 R 7.97 3.93 0.00 1.97 2.34 0.00 3.25 0.00 0.00 3.31 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.80 0.00 51 Y 7.83 3.80 0.00 3.12 2.92 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 52 L 8.63 3.68 0.00 1.82 1.70 0.89 0.84 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 53 R 7.62 3.94 0.00 1.85 2.13 0.00 3.25 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 54 E 7.72 4.22 0.00 1.71 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 2.24 2.37 0.00 55 Q 8.27 4.20 0.00 1.40 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.45 0.00 0.00 0.00 0.00 0.00 2.31 2.38 0.00 56 L 7.54 3.62 0.00 2.14 1.96 0.98 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 57 G 8.61 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 58 F 7.35 4.42 0.00 2.49 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 0.00 0.00 0.00 59 E 8.46 4.21 0.00 2.01 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 2.28 2.37 0.00 60 F 8.64 4.38 0.00 3.11 2.99 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 61 K 8.25 4.55 0.00 1.74 1.76 0.00 1.82 0.00 0.00 1.85 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.58 1.39 7.81 62 N 8.12 4.61 0.00 2.72 2.79 0.00 0.00 7.19 7.36 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 63 A 8.74 4.00 1.42 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 0.00 0.00 0.00 0.00 0.00 0.00 64 Q 7.94 4.23 0.00 2.18 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 7.35 0.00 0.00 0.00 0.00 0.00 2.29 2.31 0.00 65 L 7.30 4.86 0.00 1.65 1.59 0.91 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 66 E 8.06 4.30 0.00 2.13 1.91 0.00 0.00 0.00 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 2.41 0.00 67 H 7.92 4.78 0.00 3.13 3.32 0.00 5.72 0.00 0.00 0.00 0.00 6.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 H 8.44 4.24 0.00 3.10 3.22 0.00 5.74 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 H 8.46 4.18 0.00 3.08 3.15 0.00 5.80 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 H 8.29 4.61 0.00 3.08 3.13 0.00 5.78 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 H 8.76 4.43 0.00 3.03 3.25 0.00 5.75 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 H 7.65 4.39 0.00 3.01 3.02 0.00 5.81 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