NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 A 4.2350 8.2649 123.5802 50.8470 20.3486 176.3471 6 D 4.2181 8.0139 115.2362 54.3256 38.3711 172.3642 7 T 4.3162 8.4930 109.4710 60.1452 71.2323 172.2624 8 P 4.5428 0.0000 0.0000 62.4706 32.1699 175.9142 9 T 4.5208 8.0340 109.3072 59.5556 71.0846 173.5774 10 A 4.2062 8.4115 127.2624 51.9405 19.1409 177.5592 11 C 4.8771 8.4156 119.9291 55.1132 43.5855 174.0548 12 C 4.6408 8.2678 119.8412 55.6772 40.9878 173.8398 13 F 4.6284 8.3183 122.1320 57.2202 39.5826 175.0769 14 S 4.2202 7.1105 113.4387 57.4979 65.2388 173.2302 15 Y 5.0828 7.9160 118.0859 55.9228 40.5721 175.8713 16 T 3.9661 8.9041 119.5134 63.0712 67.7555 173.6178 17 S 4.8028 8.7902 122.0166 57.8522 63.4989 173.6833 18 R 4.3840 7.5082 116.0173 54.1922 31.4658 174.7533 19 Q 2.0000 7.9494 123.3572 55.5543 29.3895 175.8666 20 I 4.2866 6.6516 122.9811 58.3299 39.6593 173.9747 21 P 3.8988 0.0000 0.0000 63.0680 31.7474 177.2853 22 Q 3.6874 8.4865 123.6024 58.6096 29.1997 177.0128 23 N 4.6612 7.8341 112.9887 54.0174 37.9954 175.9387 24 F 4.5383 8.1896 118.9724 60.1446 39.3176 175.3548 25 I 4.3884 7.6203 121.6658 60.8716 37.4963 175.2092 26 A 4.6961 8.9933 127.1460 53.3749 20.8362 176.2018 27 A 4.7077 7.7411 114.7547 51.5591 22.7719 174.7338 28 Y 5.3076 7.7859 115.9996 55.7021 41.5834 174.7262 29 F 4.4421 8.9996 118.3909 55.8530 43.6492 174.0434 30 E 4.8038 8.8143 122.8203 56.3785 30.2302 176.7304 31 T 4.3144 8.3872 113.5858 60.6527 70.5019 174.5832 32 S 4.1672 8.6122 117.1329 58.4861 62.8130 175.5298 33 S 4.2623 8.6193 120.8712 61.0389 62.8290 175.6078 34 Q 4.1167 7.8017 119.5339 58.4682 28.7097 176.2139 35 C 4.4491 7.6816 115.0529 56.7216 40.7066 174.2133 36 S 4.1291 8.6462 117.0588 60.3252 62.9731 174.2585 37 K 4.7445 7.4908 117.5839 53.7647 35.5117 173.9572 38 P 4.4959 0.0000 0.0000 63.0372 32.1321 176.1257 39 G 4.3286 8.1013 105.2889 45.3236 0.0000 171.9972 40 V 4.8343 8.5167 122.7082 60.7567 34.4920 174.1868 41 I 4.8574 9.1229 129.2068 59.7705 39.3220 174.6372 42 F 5.2486 9.1661 126.9531 56.5208 40.9857 174.7723 43 L 5.2533 9.3326 126.4348 53.5336 43.6948 176.0857 44 T 4.7662 8.9471 117.8027 61.2533 69.9411 175.8561 45 K 4.1037 8.8359 121.2148 58.9467 32.0971 178.0290 46 R 4.3405 7.9264 117.8313 56.0632 29.9072 175.8837 47 S 3.8704 7.9539 109.0458 58.8288 61.2297 172.3136 48 R 4.2825 7.7935 120.5229 56.3645 31.1529 175.0575 49 Q 5.3793 8.7154 124.0594 54.1405 31.2511 175.3334 50 V 4.6201 8.7646 122.9703 60.0443 34.8908 174.2048 51 C 5.0850 9.0342 122.2856 56.9076 41.4542 172.4214 52 A 5.2264 9.1877 124.2903 50.1000 23.0863 174.8609 53 D 3.4354 8.2128 120.1335 52.8321 41.4171 175.6158 54 P 4.1659 0.0000 0.0000 64.4546 31.5049 177.3135 55 S 4.3089 7.9529 111.9309 59.0243 63.9558 174.9345 56 E 4.1369 7.7174 123.0570 55.4962 30.8910 176.9744 57 E 3.9391 8.8328 122.7904 59.5765 29.5143 179.6077 58 W 4.2011 8.1757 117.4107 59.0584 28.0435 178.2555 59 V 3.0201 6.4556 118.4645 65.5616 30.8412 177.9235 60 Q 3.8474 7.6834 117.3047 58.8189 28.5578 178.8332 61 K 4.0072 8.2247 119.5470 59.5854 32.1156 178.9862 62 Y 4.0338 8.4459 117.0306 61.1657 37.8560 178.6928 63 V 3.0631 8.0593 119.3057 65.9376 31.3907 178.0104 64 S 3.9990 8.1684 112.6769 61.5626 62.0797 175.6330 65 D 4.3697 8.2858 120.5392 57.4380 40.8429 178.7455 66 L 4.1549 7.9762 119.1810 58.0324 41.4885 179.5318 67 E 4.1056 8.1096 117.0825 58.9598 29.5035 178.4816 68 L 4.4239 8.2555 119.0336 55.8558 42.0375 178.2365 69 S 4.5438 7.6290 124.1251 60.3343 62.6208 178.7122 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 A 8.26 4.23 1.29 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 0.00 0.00 0.00 6 D 8.01 4.22 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 7 T 8.49 4.32 4.21 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 0.00 0.00 0.00 1.23 0.00 0.00 8 P 0.00 4.54 0.00 2.05 2.01 0.00 3.59 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.06 0.00 9 T 8.03 4.52 4.21 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 0.00 0.00 0.00 1.19 0.00 0.00 10 A 8.41 4.21 1.20 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 0.00 0.00 0.00 11 C 8.42 4.88 0.00 2.43 2.33 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 0.00 12 C 8.27 4.64 0.00 2.88 2.84 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 0.00 0.00 0.00 0.00 13 F 8.32 4.63 0.00 2.98 2.91 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 14 S 7.11 4.22 0.00 3.87 3.75 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 15 Y 7.92 5.08 0.00 3.03 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 16 T 8.90 3.97 4.42 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 1.62 0.00 0.00 17 S 8.79 4.80 0.00 4.08 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 18 R 7.51 4.38 0.00 1.82 1.87 0.00 3.10 0.00 0.00 3.14 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.46 0.00 19 Q 7.95 2.00 0.00 0.93 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.73 0.00 0.00 0.00 0.00 0.00 1.78 1.16 0.00 20 I 6.65 4.29 1.91 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 1.48 0.83 1.03 0.00 0.00 21 P 0.00 3.90 0.00 0.49 1.20 0.00 3.16 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 1.60 0.00 22 Q 8.49 3.69 0.00 1.68 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.98 0.00 0.00 0.00 0.00 0.00 1.95 1.16 0.00 23 N 7.83 4.66 0.00 2.92 2.91 0.00 0.00 6.06 7.43 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 24 F 8.19 4.54 0.00 3.21 3.10 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.62 4.39 1.83 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.62 1.06 0.00 0.00 26 A 8.99 4.70 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 27 A 7.74 4.71 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.79 5.31 0.00 2.75 3.01 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 0.00 0.00 0.00 0.00 29 F 9.00 4.44 0.00 2.92 2.81 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 30 E 8.81 4.80 0.00 1.88 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 2.48 0.00 31 T 8.39 4.31 4.28 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 1.23 0.00 0.00 32 S 8.61 4.17 0.00 3.85 3.75 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 33 S 8.62 4.26 0.00 4.01 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 34 Q 7.80 4.12 0.00 2.10 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.92 0.00 0.00 0.00 0.00 0.00 2.39 2.32 0.00 35 C 7.68 4.45 0.00 3.00 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 36 S 8.65 4.13 0.00 4.07 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 37 K 7.49 4.74 0.00 1.94 1.84 0.00 1.52 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.30 1.48 7.81 38 P 0.00 4.50 0.00 2.04 2.00 0.00 3.81 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 39 G 8.10 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 0.00 0.00 0.00 0.00 40 V 8.52 4.83 1.82 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 0.18 0.00 0.00 0.74 0.00 0.00 41 I 9.12 4.86 1.98 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 1.26 0.64 1.02 0.00 0.00 42 F 9.17 5.25 0.00 3.18 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 43 L 9.33 5.25 0.00 2.04 1.78 1.03 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 44 T 8.95 4.77 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 1.38 0.00 0.00 45 K 8.84 4.10 0.00 1.78 1.93 0.00 1.88 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.51 1.43 7.81 46 R 7.93 4.34 0.00 1.70 1.87 0.00 3.31 0.00 0.00 3.18 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 47 S 7.95 3.87 0.00 4.09 3.95 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.79 4.28 0.00 1.94 1.86 0.00 3.30 0.00 0.00 3.24 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.80 0.00 49 Q 8.72 5.38 0.00 2.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.46 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 50 V 8.76 4.62 2.26 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 1.06 0.00 0.00 1.13 0.00 0.00 51 C 9.03 5.08 0.00 3.00 3.24 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 52 A 9.19 5.23 1.16 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 0.00 0.00 53 D 8.21 3.44 0.00 1.67 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 0.00 0.00 0.00 0.00 54 P 0.00 4.17 0.00 1.94 1.95 0.00 3.38 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.93 0.00 55 S 7.95 4.31 0.00 3.89 3.87 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 56 E 7.72 4.14 0.00 1.53 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 2.46 0.00 57 E 8.83 3.94 0.00 2.17 2.23 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 2.46 2.38 0.00 58 W 8.18 4.20 0.00 3.36 3.25 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 59 V 6.46 3.02 1.72 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 0.74 0.00 0.00 -0.49 0.00 0.00 60 Q 7.68 3.85 0.00 2.23 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.58 0.00 0.00 0.00 0.00 0.00 2.24 2.47 0.00 61 K 8.22 4.01 0.00 2.13 1.98 0.00 1.73 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.77 7.81 62 Y 8.45 4.03 0.00 3.27 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 63 V 8.06 3.06 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 0.10 0.00 0.00 0.47 0.00 0.00 64 S 8.17 4.00 0.00 3.93 3.95 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.29 4.37 0.00 2.67 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 L 7.98 4.15 0.00 2.08 1.81 0.95 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 67 E 8.11 4.11 0.00 1.95 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 0.00 2.58 2.54 0.00 68 L 8.26 4.42 0.00 1.58 1.70 0.91 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 69 S 7.63 4.54 0.00 3.71 3.61 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