NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.9397 8.3549 109.7370 45.3114 0.0000 173.5654 3 K 3.9527 8.5488 122.2320 55.4424 32.9661 170.8153 4 V 4.5332 8.5874 121.2281 61.4022 35.6603 173.4999 5 Y 4.9790 8.8154 123.8169 56.0538 41.0574 174.6673 6 K 4.4607 8.0940 122.9601 54.4907 34.9597 174.7918 7 K 5.0874 8.5449 125.5737 54.7214 34.4654 175.8143 8 V 4.5164 8.7112 117.7404 59.4634 35.1311 174.4919 9 E 4.9278 8.8326 125.5799 55.3640 30.1876 175.0190 10 L 4.8974 8.8667 127.0338 52.8588 45.7258 175.8322 11 V 4.7638 8.2974 119.9824 61.2967 33.7163 174.8837 12 G 4.5967 9.2294 115.9177 44.4989 0.0000 172.3031 13 T 5.8176 8.0722 112.0196 59.1215 72.1824 172.9665 14 S 4.6766 8.2762 114.7129 57.8646 65.5227 175.0519 15 E 4.5897 9.0084 123.5559 56.5275 29.8282 176.8665 16 E 4.5534 8.7793 117.9177 55.2982 31.6084 175.9971 17 G 3.5257 7.3846 106.7115 44.3433 0.0000 173.3582 18 L 3.7601 7.2714 118.3841 57.6863 41.5141 179.4959 19 E 3.8757 8.0179 117.7957 59.4201 29.3931 179.1471 20 A 3.9629 7.9132 119.9944 54.9516 18.5846 179.3809 21 A 4.0644 7.9364 119.2623 55.3450 18.4818 179.8327 22 I 3.4943 7.7602 118.3108 64.7611 37.1774 178.7301 23 Q 3.8973 8.3751 118.8920 58.6483 28.4329 178.7487 24 A 3.9071 8.1596 121.7244 55.0856 18.3947 179.3766 25 A 3.8794 7.8950 118.6576 55.5465 18.4162 179.7878 26 L 3.8592 7.8471 117.1438 57.6506 41.3992 179.5947 27 A 3.9293 8.1672 120.6028 55.0455 18.7305 179.4087 28 R 3.9096 8.0088 117.0424 59.3857 30.1265 178.3844 29 A 3.8932 8.0856 120.7886 55.3686 18.1568 179.6118 30 R 3.8249 7.9392 115.6372 59.2628 30.0817 178.5433 31 K 4.1516 7.6935 117.6486 58.5836 32.0943 177.6797 32 T 4.4822 7.7130 105.6820 60.5298 70.5650 173.5052 33 L 4.4028 7.9507 122.6938 52.7927 43.4604 176.2034 34 R 4.3317 8.1524 121.8014 55.9265 32.0105 175.1663 35 H 4.1791 8.4823 113.5443 56.6741 26.2220 175.1878 36 L 4.5244 8.1310 118.5146 55.5305 42.1700 176.2906 37 D 5.1256 9.1841 122.4699 55.5488 43.6046 176.1287 38 F 5.2211 7.5374 111.0681 55.6460 41.2954 173.0105 39 F 5.6131 8.3813 113.7221 55.5867 41.5550 173.6350 40 E 4.6987 9.4030 118.8136 54.7441 33.6896 174.8901 41 V 4.2249 8.7214 125.1218 63.0715 31.6913 175.4598 42 K 4.4349 9.3463 127.9317 58.2855 33.3477 176.6918 43 E 4.7759 7.9256 118.2277 54.9463 33.3379 173.7722 44 I 4.9286 8.3847 125.4976 59.8058 39.6165 174.8900 45 R 4.7373 9.0133 125.3971 54.4387 35.1183 173.8465 46 G 4.2220 7.8949 106.2108 46.8800 0.0000 172.3690 47 T 4.8104 7.9848 109.6335 59.9002 71.7570 173.4672 48 I 4.7484 8.2699 122.9568 59.8411 40.0506 175.3549 49 G 4.2311 9.1153 115.1330 43.8933 0.0000 172.5063 50 E 3.8998 8.9159 118.3921 58.3878 29.7289 178.0183 51 A 4.6987 8.0526 119.8174 51.8823 20.7130 175.8696 52 G 3.9820 7.5994 109.9270 45.1111 0.0000 177.8236 53 V 3.7396 8.3179 124.7641 62.6311 31.6792 174.6305 54 K 4.1415 8.8875 129.8158 58.4649 33.1634 175.6376 55 E 4.7213 7.8109 120.1101 54.4333 33.1267 173.4698 56 Y 4.7420 9.1073 125.3541 57.7279 39.7135 174.5919 57 Q 4.9258 9.4262 122.8380 54.3326 32.3268 174.4693 58 V 4.5942 8.7875 125.9272 60.9865 33.8075 174.8245 59 V 4.4076 8.7879 129.6066 62.4515 32.4605 174.6495 60 L 5.3317 9.2528 128.2547 52.9831 45.4281 175.4419 61 E 4.8399 9.4896 122.8655 55.4332 31.4556 175.3177 62 V 4.6410 9.1411 125.1322 61.1018 34.1243 174.2305 63 G 3.5793 8.6565 116.3349 44.2705 0.0000 172.2916 64 F 5.6049 8.4995 118.9801 54.7860 41.8784 173.8288 65 R 3.9443 8.9058 122.1001 55.9277 30.4461 176.0386 66 L 4.2842 8.3178 127.6854 54.3602 42.4922 177.1810 67 E 4.0915 8.7661 121.6867 56.7394 29.4963 176.7344 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 2 G 8.35 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 0.00 0.00 0.00 3 K 8.55 3.95 0.00 1.81 1.44 0.00 1.83 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.48 7.81 4 V 8.59 4.53 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 1.09 0.00 0.00 0.90 0.00 0.00 5 Y 8.82 4.98 0.00 2.90 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 6 K 8.09 4.46 0.00 1.50 0.74 0.00 1.41 0.00 0.00 1.61 0.00 0.00 3.00 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.31 1.27 7.81 7 K 8.54 5.09 0.00 1.68 1.72 0.00 2.00 0.00 0.00 1.80 0.00 0.00 3.08 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.34 1.46 7.81 8 V 8.71 4.52 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 0.87 0.00 0.00 1.11 0.00 0.00 9 E 8.83 4.93 0.00 2.01 1.90 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 2.26 2.36 0.00 10 L 8.87 4.90 0.00 1.60 1.51 0.90 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.30 4.76 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 0.81 0.00 0.00 0.94 0.00 0.00 12 G 9.23 4.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 T 8.07 5.82 4.26 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 1.28 0.00 0.00 14 S 8.28 4.68 0.00 3.91 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 15 E 9.01 4.59 0.00 2.02 1.98 0.00 0.00 0.00 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 2.29 0.00 16 E 8.78 4.55 0.00 1.96 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 2.28 2.38 0.00 17 G 7.38 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 L 7.27 3.76 0.00 1.54 1.61 0.82 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.02 3.88 0.00 1.99 1.96 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 2.38 2.42 0.00 20 A 7.91 3.96 1.34 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 0.00 0.00 0.00 21 A 7.94 4.06 1.43 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 0.00 0.00 0.00 22 I 7.76 3.49 1.85 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 1.39 0.57 0.32 0.00 0.00 23 Q 8.38 3.90 0.00 2.11 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.45 2.48 0.00 24 A 8.16 3.91 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 25 A 7.90 3.88 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 26 L 7.85 3.86 0.00 1.62 1.65 0.60 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 27 A 8.17 3.93 1.32 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 28 R 8.01 3.91 0.00 1.92 2.05 0.00 3.13 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 29 A 8.09 3.89 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 30 R 7.94 3.82 0.00 1.90 2.13 0.00 3.25 0.00 0.00 3.20 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 31 K 7.69 4.15 0.00 1.91 1.82 0.00 1.66 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.59 7.81 32 T 7.71 4.48 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 1.16 0.00 0.00 33 L 7.95 4.40 0.00 1.37 0.93 0.27 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 34 R 8.15 4.33 0.00 1.62 1.45 0.00 3.28 0.00 0.00 3.17 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.54 0.00 35 H 8.48 4.18 0.00 3.61 3.44 0.00 5.62 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 L 8.13 4.52 0.00 1.66 1.66 0.88 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 37 D 9.18 5.13 0.00 2.84 2.97 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 0.00 0.00 0.00 38 F 7.54 5.22 0.00 2.90 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 39 F 8.38 5.61 0.00 3.09 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.40 4.70 0.00 1.98 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 2.23 2.37 0.00 41 V 8.72 4.22 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 0.83 0.00 0.00 1.10 0.00 0.00 42 K 9.35 4.43 0.00 1.76 1.87 0.00 1.83 0.00 0.00 1.66 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.56 7.81 43 E 7.93 4.78 0.00 2.03 1.75 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 2.31 2.36 0.00 44 I 8.38 4.93 1.92 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 1.38 0.82 1.00 0.00 0.00 45 R 9.01 4.74 0.00 1.72 1.81 0.00 3.39 0.00 0.00 3.19 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 46 G 7.89 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 47 T 7.98 4.81 4.20 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 1.19 0.00 0.00 48 I 8.27 4.75 1.84 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 1.23 0.62 0.95 0.00 0.00 49 G 9.12 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 50 E 8.92 3.90 0.00 1.93 1.98 0.00 0.00 0.00 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 2.30 0.00 51 A 8.05 4.70 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 52 G 7.60 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 V 8.32 3.74 1.76 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 -0.17 0.00 0.00 0.71 0.00 0.00 54 K 8.89 4.14 0.00 1.89 1.82 0.00 1.60 0.00 0.00 1.54 0.00 0.00 2.74 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.36 1.34 7.81 55 E 7.81 4.72 0.00 1.95 1.67 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 2.20 2.25 0.00 56 Y 9.11 4.74 0.00 3.10 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 57 Q 9.43 4.93 0.00 2.06 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.77 0.00 0.00 0.00 0.00 0.00 2.27 2.28 0.00 58 V 8.79 4.59 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 1.02 0.00 0.00 0.95 0.00 0.00 59 V 8.79 4.41 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.95 0.00 0.00 60 L 9.25 5.33 0.00 1.56 1.56 0.71 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 61 E 9.49 4.84 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 2.34 2.30 0.00 62 V 9.14 4.64 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 0.98 0.00 0.00 0.96 0.00 0.00 63 G 8.66 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.50 5.60 0.00 3.40 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 65 R 8.91 3.94 0.00 2.06 1.86 0.00 3.06 0.00 0.00 3.15 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.68 0.00 66 L 8.32 4.28 0.00 1.52 1.54 0.84 0.90 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 67 E 8.77 4.09 0.00 1.99 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 2.38 2.43 0.00