NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 E 4.2446 8.4444 120.2240 55.7626 31.9313 175.6897 6 N 4.5835 7.6098 118.7640 49.9549 38.2666 172.9269 7 I 3.9421 8.0170 118.3303 62.3326 38.9854 177.3272 8 Q 3.8593 7.8764 121.8765 59.4800 28.5947 177.3831 9 D 4.2325 8.4364 119.0652 56.2530 40.3829 178.5459 10 K 3.9605 7.4798 119.6011 58.8264 32.0325 178.6863 11 A 3.5811 7.8666 121.1080 54.8391 18.4819 179.6139 12 L 3.8295 7.7941 117.4984 57.3720 41.3953 179.3994 13 E 4.0834 7.5790 118.7169 59.3169 29.7258 178.0898 14 N 4.2208 7.5689 115.3694 56.4850 38.0687 177.3539 15 F 4.4296 7.4853 118.9258 60.6080 39.0497 177.1207 16 K 4.1996 8.1780 120.2969 59.0038 31.7102 178.3296 17 A 4.0207 7.6598 119.0029 55.3520 18.5767 178.8191 18 N 4.5444 7.8871 110.5703 53.1640 38.8652 175.1563 19 Q 3.3558 7.7657 118.0362 56.6610 27.2852 174.3184 20 T 3.9263 7.3662 110.1387 61.8039 67.6946 173.4977 21 E 4.0507 8.7383 126.9510 57.0371 30.2880 175.5110 22 V 4.3211 8.7512 125.8817 61.2915 34.3091 174.6531 23 T 4.7885 9.0852 124.7221 61.9529 70.5608 173.5683 24 V 4.3241 8.7482 128.0677 61.7899 33.2943 174.5406 25 F 4.9920 8.7380 126.5868 55.8172 41.0809 175.3923 26 F 4.5038 9.1021 122.7909 56.4779 40.2233 177.2525 27 L 4.0765 8.7337 121.4609 57.9554 41.5131 178.4892 28 N 4.5932 8.2958 112.7720 53.5146 37.3016 174.9688 29 G 4.1424 8.1867 108.3192 45.5596 0.0000 174.0998 30 F 4.4995 9.0293 122.0028 58.9151 40.5574 174.0864 31 Q 4.6538 6.6034 119.5206 54.4155 32.8258 174.3335 32 M 4.5376 8.2120 119.8700 54.1253 36.1409 173.3247 33 K 4.8607 9.2574 125.8480 54.1141 35.5294 176.2254 34 G 3.8863 7.1879 111.0799 45.9228 0.0000 170.3995 35 V 4.5908 7.1826 118.5909 60.7302 34.2131 176.0099 36 I 3.9307 8.3491 128.1889 62.0812 37.3246 176.5210 37 E 4.1225 9.2299 127.8391 58.9631 29.8271 177.0337 38 E 4.8565 7.6764 116.0464 55.4812 34.7521 173.0227 39 Y 5.0221 7.8812 117.3345 57.8054 39.9616 172.3143 40 D 4.5337 8.6282 117.9564 53.3020 42.2077 175.2326 41 K 3.9291 8.9875 117.0004 60.1574 32.3691 177.2365 42 Y 4.7772 8.0296 114.8147 58.9008 40.2125 175.4624 43 V 4.9110 8.7067 111.4491 59.5991 36.6088 174.7075 44 V 4.8163 8.6388 119.5414 61.7413 35.4704 173.3659 45 S 5.2853 9.1017 121.6230 56.5202 64.6152 172.2720 46 L 5.1406 9.1866 129.6954 53.2547 45.2518 174.2052 47 N 5.2940 8.7702 124.6862 51.8399 40.5953 172.1877 48 S 4.7639 8.7514 123.7058 57.3967 63.5783 172.9123 49 Q 4.0278 8.9197 109.9362 57.2593 28.0672 177.1689 50 G 3.9224 9.0213 107.2827 46.5984 0.0000 170.4513 51 K 4.5632 7.7640 119.2364 54.1683 34.9715 174.3463 52 Q 4.8631 8.2112 123.6707 54.9827 31.1390 174.5963 53 H 4.8138 8.9277 121.3655 54.1535 32.6757 172.3600 54 L 4.9065 8.7393 126.8081 53.9680 42.6988 175.2972 55 I 4.6245 8.7626 128.4414 59.5222 39.8528 175.3305 56 Y 4.5653 8.5387 124.4921 57.4634 38.7985 177.0768 57 K 4.0622 8.9393 124.1742 59.6856 32.3279 178.7818 58 H 4.4151 8.2973 112.2852 57.1619 28.8169 175.5040 59 A 4.6311 8.0576 122.7841 52.2687 19.9086 176.3613 60 I 4.2951 7.2695 117.0259 59.9913 38.3794 175.0744 61 S 4.5997 9.1649 121.2877 59.8390 62.6412 173.8766 62 T 4.7090 7.4721 107.7932 60.2575 72.6210 171.0891 63 Y 5.3093 8.5765 119.6475 56.6175 40.4890 175.3465 64 T 4.8352 8.7133 112.3290 60.3369 72.8122 173.3646 65 V 4.3527 8.4231 122.9710 62.2764 33.9925 175.5844 66 E 4.1240 8.1475 120.5792 56.8473 29.8323 174.6972 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 5 E 8.44 4.24 0.00 1.97 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 0.00 2.21 2.24 0.00 6 N 7.61 4.58 0.00 2.76 2.67 0.00 0.00 6.96 6.93 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 7 I 8.02 3.94 1.83 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.63 0.89 0.00 0.00 8 Q 7.88 3.86 0.00 2.13 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.97 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 9 D 8.44 4.23 0.00 2.89 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.48 3.96 0.00 2.04 1.69 0.00 1.55 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.38 1.54 7.81 11 A 7.87 3.58 1.15 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 0.00 0.00 0.00 0.00 0.00 12 L 7.79 3.83 0.00 0.96 0.57 0.37 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 13 E 7.58 4.08 0.00 2.36 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 2.32 2.39 0.00 14 N 7.57 4.22 0.00 2.40 2.72 0.00 0.00 7.15 8.01 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 15 F 7.49 4.43 0.00 3.10 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 16 K 8.18 4.20 0.00 2.08 2.24 0.00 1.83 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 3.36 0.00 0.00 0.00 0.00 1.50 1.69 7.81 17 A 7.66 4.02 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 18 N 7.89 4.54 0.00 2.83 2.90 0.00 0.00 7.38 8.53 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 19 Q 7.77 3.36 0.00 2.13 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.85 0.00 0.00 0.00 0.00 0.00 2.34 2.58 0.00 20 T 7.37 3.93 4.33 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 21 E 8.74 4.05 0.00 1.92 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 2.39 2.24 0.00 22 V 8.75 4.32 1.84 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 0.61 0.00 0.00 0.32 0.00 0.00 23 T 9.09 4.79 4.29 0.00 0.00 0.00 0.00 0.00 0.00 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 24 V 8.75 4.32 2.04 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 0.52 0.00 0.00 0.96 0.00 0.00 25 F 8.74 4.99 0.00 3.08 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 F 9.10 4.50 0.00 3.32 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 27 L 8.73 4.08 0.00 1.74 1.79 1.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 28 N 8.30 4.59 0.00 2.86 3.01 0.00 0.00 6.31 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 G 8.19 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 F 9.03 4.50 0.00 2.98 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 31 Q 6.60 4.65 0.00 1.39 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.44 0.00 0.00 0.00 0.00 0.00 1.36 2.12 0.00 32 M 8.21 4.54 0.00 2.18 1.88 0.00 0.00 0.00 0.00 0.00 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.48 0.00 33 K 9.26 4.86 0.00 1.65 1.56 0.00 1.90 0.00 0.00 1.66 0.00 0.00 2.89 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.47 7.81 34 G 7.19 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 35 V 7.18 4.59 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 0.99 0.00 0.00 1.01 0.00 0.00 36 I 8.35 3.93 1.95 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.49 1.07 0.00 0.00 37 E 9.23 4.12 0.00 1.88 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 2.52 2.45 0.00 38 E 7.68 4.86 0.00 1.86 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 0.00 2.23 2.28 0.00 39 Y 7.88 5.02 0.00 2.99 2.93 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 40 D 8.63 4.53 0.00 2.76 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 41 K 8.99 3.93 0.00 1.22 1.06 0.00 1.55 0.00 0.00 1.59 0.00 0.00 2.75 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.34 1.23 7.81 42 Y 8.03 4.78 0.00 3.05 3.16 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 0.00 0.00 0.00 0.00 43 V 8.71 4.91 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 0.35 0.00 0.00 1.03 0.00 0.00 44 V 8.64 4.82 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 0.89 0.00 0.00 1.04 0.00 0.00 45 S 9.10 5.29 0.00 3.95 3.81 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 0.00 0.00 0.00 46 L 9.19 5.14 0.00 1.81 1.56 0.93 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 47 N 8.77 5.29 0.00 2.86 2.67 0.00 0.00 6.32 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 48 S 8.75 4.76 0.00 3.97 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 Q 8.92 4.03 0.00 2.25 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.89 0.00 0.00 0.00 0.00 0.00 2.51 2.41 0.00 50 G 9.02 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 51 K 7.76 4.56 0.00 1.91 1.57 0.00 1.61 0.00 0.00 1.57 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.18 1.27 7.81 52 Q 8.21 4.86 0.00 2.04 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.55 0.00 0.00 0.00 0.00 0.00 2.25 2.42 0.00 53 H 8.93 4.81 0.00 3.28 3.22 0.00 5.65 0.00 0.00 0.00 0.00 6.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 L 8.74 4.91 0.00 1.61 1.56 0.89 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 55 I 8.76 4.62 1.93 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.86 0.98 0.00 0.00 56 Y 8.54 4.57 0.00 2.99 2.40 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 57 K 8.94 4.06 0.00 1.95 1.94 0.00 1.90 0.00 0.00 1.76 0.00 0.00 2.98 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.56 1.59 7.81 58 H 8.30 4.42 0.00 3.24 3.51 0.00 5.53 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 A 8.06 4.63 1.62 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 0.00 0.00 60 I 7.27 4.30 1.69 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.48 0.52 0.32 0.00 0.00 61 S 9.16 4.60 0.00 3.74 3.91 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 0.00 0.00 0.00 62 T 7.47 4.71 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 1.12 0.00 0.00 63 Y 8.58 5.31 0.00 2.93 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.71 4.84 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 1.34 0.00 0.00 65 V 8.42 4.35 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 1.12 0.00 0.00 66 E 8.15 4.12 0.00 2.24 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 2.25 2.27 0.00