NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.6360 8.0232 122.2690 52.0402 20.8110 175.3656 2 Y 4.3176 8.6421 118.1092 55.7856 38.9546 169.8181 3 V 4.6063 8.9876 124.3915 60.4764 36.1935 174.2432 4 I 4.0496 8.4314 124.3382 62.9924 38.6972 175.8029 5 T 4.1157 8.1005 113.8597 61.6225 68.6616 173.7706 6 E 4.0489 8.4950 119.3124 56.4177 35.0378 174.1644 7 P 4.2354 0.0000 0.0000 65.5404 31.7107 177.4059 8 C 4.1069 7.9038 117.6724 61.4820 31.7607 172.7848 9 I 3.7813 7.7185 120.5771 62.7461 36.6914 175.2330 10 G 3.8400 9.2700 112.9071 46.3823 0.0000 173.2016 11 T 4.2623 8.1138 117.0847 61.7425 68.6471 175.4645 12 K 3.7343 8.4590 128.6204 57.1024 32.2548 173.4697 13 D 4.5738 8.4418 115.7793 54.0439 44.3669 176.0733 14 A 3.5801 8.9066 124.2250 52.8925 17.3369 176.5085 15 S 3.7501 8.8546 106.9445 59.2505 62.1329 171.9699 16 C 4.6975 8.9205 118.2067 60.4021 36.7574 176.1495 17 V 3.3776 7.7985 119.8341 63.8203 30.6430 177.0890 18 E 4.0864 7.8599 116.4084 57.8147 29.9848 177.8342 19 V 3.7844 7.2738 111.8086 62.9432 32.3586 176.0061 20 C 4.2258 7.8215 121.4693 58.0767 31.6452 172.2216 21 P 4.4056 0.0000 0.0000 64.7968 31.0961 177.1880 22 V 4.2822 7.4137 110.7953 60.4673 32.2178 174.7812 23 D 4.3645 8.0798 118.0909 55.5539 39.0140 174.0116 24 C 4.5740 7.7293 111.4344 58.2517 31.0426 172.4383 25 I 4.3602 6.9100 120.9406 61.7023 37.5355 174.8912 26 H 5.1673 9.2843 123.4890 54.2110 33.6263 171.9427 27 E 4.6550 9.1532 118.3193 55.8045 30.8368 176.9404 28 G 3.2327 7.5387 112.1747 43.4437 0.0000 172.5529 29 E 3.9935 8.7258 117.8564 59.3233 29.0753 177.1852 30 D 4.4613 7.3643 115.4009 55.0710 42.9771 177.1405 31 Q 4.1568 7.1771 115.4125 54.8763 30.4996 174.4345 32 Y 4.6374 7.9469 115.8254 58.1598 39.1329 174.1601 33 Y 5.3653 9.2664 118.1304 56.5145 42.7076 174.6079 34 I 5.0506 9.1851 120.5251 59.5453 41.0093 175.2644 35 D 4.8278 8.9180 127.4880 53.8144 41.2845 175.1804 36 P 4.4570 0.0000 0.0000 65.4832 31.7736 177.6287 37 D 4.5298 8.2524 117.8486 56.7606 40.9672 178.3925 38 V 3.7792 8.5900 118.6810 64.8411 31.8560 176.2101 39 C 3.8871 7.4065 117.9846 60.2962 31.5445 172.9090 40 I 4.2378 8.4587 119.8144 60.5162 37.7164 175.2401 41 D 4.6634 8.0993 118.4677 56.2325 38.0758 175.1376 42 C 4.2428 8.2170 113.2373 58.7111 31.7597 175.1885 43 G 2.9317 7.5364 108.1234 44.6202 0.0000 172.7289 44 A 3.7539 8.0573 127.9090 52.4304 17.4812 179.3786 45 C 3.7771 8.0080 107.4423 61.7019 29.8713 176.6183 46 E 3.6240 7.6694 119.5981 58.5481 29.7227 178.0145 47 A 4.1369 7.8740 120.7859 54.9683 18.6566 179.1171 48 V 3.7828 7.5689 107.8458 63.6818 32.3205 176.6868 49 C 4.0294 8.3435 121.6418 58.3943 31.5856 170.7522 50 P 4.2771 0.0000 0.0000 64.1248 31.1045 176.3520 51 V 3.1922 8.9286 121.2251 63.0116 30.4164 172.0881 52 S 3.4342 8.1826 109.2245 58.3882 60.7493 172.4685 53 A 3.6619 7.4342 124.7879 55.2660 18.7410 177.6260 54 I 4.1722 7.4707 116.0893 62.1241 37.4698 175.5253 55 Y 5.1553 8.9223 125.4026 55.8946 41.6838 175.1629 56 H 4.0780 8.6643 122.2051 55.7626 30.4157 176.1181 57 E 4.1527 8.0811 123.5280 58.5896 29.3601 177.2154 58 D 4.8408 7.6562 116.2852 54.3489 42.8220 176.9953 59 F 4.4734 8.2762 117.0680 60.5138 39.2038 176.2300 60 V 3.6483 8.2061 120.1545 62.5506 31.6850 174.0046 61 P 4.3262 0.0000 0.0000 62.5444 32.0798 176.4550 62 E 3.8449 9.0294 120.9924 59.7564 29.3644 178.7401 63 E 3.7877 7.9631 118.5793 59.1862 29.6026 178.2997 64 W 5.0792 8.1156 116.4394 57.1869 29.5298 178.3521 65 K 4.0552 8.1188 119.6367 59.1318 31.2857 178.8474 66 S 4.0971 7.6790 115.2801 62.2169 62.8038 176.5225 67 Y 3.9849 8.0671 118.8937 60.9109 37.4843 178.7046 68 I 3.6932 7.7324 120.3046 64.6398 37.3780 178.3235 69 Q 4.0456 8.3542 119.0507 58.6198 28.3475 178.9823 70 K 3.8202 8.1624 120.9829 59.5513 32.0562 178.4722 71 N 3.9056 8.0934 115.5086 56.4088 38.6822 177.0138 72 R 4.1242 8.3345 119.5862 59.4861 30.2317 178.0821 73 D 4.3669 8.4716 117.7021 57.9242 40.9693 178.5874 74 F 3.6387 7.9996 116.6216 59.7891 38.8407 176.4900 75 F 5.0567 7.5657 113.4741 56.9666 39.4278 175.6584 76 K 4.4723 8.0313 123.3672 57.3253 33.9380 175.9378 77 K 4.0841 7.7385 123.0192 56.7812 31.9864 174.8468 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 A 8.02 4.64 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 2 Y 8.64 4.32 0.00 2.93 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 3 V 8.99 4.61 2.10 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 1.04 0.00 0.00 0.95 0.00 0.00 4 I 8.43 4.05 2.04 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.64 0.71 0.00 0.00 5 T 8.10 4.12 3.67 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 1.57 0.00 0.00 6 E 8.50 4.05 0.00 1.16 1.12 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 1.88 2.09 0.00 7 P 0.00 4.24 0.00 2.04 2.13 0.00 3.44 0.00 0.00 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.19 0.00 8 C 7.90 4.11 0.00 2.87 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 9 I 7.72 3.78 1.87 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.66 0.94 0.00 0.00 10 G 9.27 3.84 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 0.00 0.00 0.00 11 T 8.11 4.26 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 1.20 0.00 0.00 12 K 8.46 3.73 0.00 2.02 1.90 0.00 1.58 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.30 1.42 7.81 13 D 8.44 4.57 0.00 2.64 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.91 3.58 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 15 S 8.85 3.75 0.00 4.08 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 16 C 8.92 4.70 0.00 2.89 3.03 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 17 V 7.80 3.38 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.72 0.00 0.00 18 E 7.86 4.09 0.00 2.04 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 2.21 2.22 0.00 19 V 7.27 3.78 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 0.67 0.00 0.00 0.90 0.00 0.00 20 C 7.82 4.23 0.00 2.86 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 21 P 0.00 4.41 0.00 2.19 2.13 0.00 3.70 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.95 0.00 22 V 7.41 4.28 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 0.85 0.00 0.00 0.90 0.00 0.00 23 D 8.08 4.36 0.00 2.89 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 24 C 7.73 4.57 0.00 2.88 3.18 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 25 I 6.91 4.36 1.65 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.32 0.64 0.00 0.00 26 H 9.28 5.17 0.00 3.16 3.35 0.00 5.60 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 E 9.15 4.66 0.00 1.90 1.77 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 2.31 2.59 0.00 28 G 7.54 3.23 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 29 E 8.73 3.99 0.00 1.98 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 2.43 2.52 0.00 30 D 7.36 4.46 0.00 2.58 2.53 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 31 Q 7.18 4.16 0.00 2.18 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.15 6.27 0.00 0.00 0.00 0.00 0.00 2.28 2.26 0.00 32 Y 7.95 4.64 0.00 2.83 2.95 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 33 Y 9.27 5.37 0.00 3.07 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 34 I 9.19 5.05 1.94 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.49 0.98 0.00 0.00 35 D 8.92 4.83 0.00 2.63 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.46 0.00 2.28 2.19 0.00 3.97 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 37 D 8.25 4.53 0.00 2.88 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 38 V 8.59 3.78 2.22 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 0.74 0.00 0.00 0.99 0.00 0.00 39 C 7.41 3.89 0.00 3.10 3.06 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 40 I 8.46 4.24 1.88 0.00 0.00 0.86 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 0.62 0.95 0.00 0.00 41 D 8.10 4.66 0.00 2.92 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 42 C 8.22 4.24 0.00 3.04 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 43 G 7.54 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 0.00 0.00 0.00 44 A 8.06 3.75 1.25 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 0.00 0.00 45 C 8.01 3.78 0.00 3.01 3.12 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 46 E 7.67 3.62 0.00 1.32 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 0.00 2.28 2.47 0.00 47 A 7.87 4.14 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.57 3.78 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 0.74 0.00 0.00 0.98 0.00 0.00 49 C 8.34 4.03 0.00 2.92 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 50 P 0.00 4.28 0.00 2.19 1.98 0.00 3.75 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.07 0.00 51 V 8.93 3.19 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 0.78 0.00 0.00 0.95 0.00 0.00 52 S 8.18 3.43 0.00 3.93 3.69 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 53 A 7.43 3.66 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 54 I 7.47 4.17 1.81 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.51 1.07 0.00 0.00 55 Y 8.92 5.16 0.00 2.99 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 56 H 8.66 4.08 0.00 1.91 1.78 0.00 5.69 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 E 8.08 4.15 0.00 2.05 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 2.16 2.16 0.00 58 D 7.66 4.84 0.00 2.66 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 59 F 8.28 4.47 0.00 3.11 3.02 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 60 V 8.21 3.65 2.31 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 0.94 0.00 0.00 1.19 0.00 0.00 61 P 0.00 4.33 0.00 1.92 1.93 0.00 4.06 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 1.53 1.62 0.00 62 E 9.03 3.84 0.00 2.02 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 2.36 2.39 0.00 63 E 7.96 3.79 0.00 1.83 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.35 0.00 64 W 8.12 5.08 0.00 3.53 3.30 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 65 K 8.12 4.06 0.00 2.02 1.90 0.00 1.72 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.66 1.70 7.81 66 S 7.68 4.10 0.00 3.93 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 67 Y 8.07 3.98 0.00 3.21 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 I 7.73 3.69 2.07 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.55 0.98 0.00 0.00 69 Q 8.35 4.05 0.00 2.35 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.83 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 70 K 8.16 3.82 0.00 1.79 1.68 0.00 1.50 0.00 0.00 1.49 0.00 0.00 3.02 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.05 1.44 7.81 71 N 8.09 3.91 0.00 2.83 3.18 0.00 0.00 6.36 6.76 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 72 R 8.33 4.12 0.00 1.99 2.02 0.00 3.36 0.00 0.00 3.12 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.71 0.00 73 D 8.47 4.37 0.00 2.87 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 74 F 8.00 3.64 0.00 2.52 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 F 7.57 5.06 0.00 3.26 3.08 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 0.00 0.00 0.00 0.00 76 K 8.03 4.47 0.00 1.95 1.80 0.00 1.77 0.00 0.00 1.70 0.00 0.00 3.27 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.37 1.41 7.81 77 K 7.74 4.08 0.00 1.71 1.58 0.00 1.87 0.00 0.00 1.87 0.00 0.00 2.99 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.31 1.37 7.81