NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 D 4.5134 8.3644 120.1914 53.8933 42.5545 175.3251 17 S 4.3114 7.8382 112.6087 54.5328 62.8651 171.0929 18 D 4.6749 9.3691 126.7820 54.6389 42.3290 176.7689 19 L 4.4071 8.8413 122.6091 53.7635 42.7324 175.9723 20 Y 4.1330 8.4819 121.8658 59.0332 39.1224 175.6853 21 A 3.3755 7.8281 127.5187 52.6903 16.2786 176.9364 22 E 4.0002 7.7188 118.6536 57.1751 30.1725 175.9789 23 L 4.7023 8.3508 126.8693 53.5887 44.4702 175.5043 24 R 5.3077 7.7492 123.5436 55.3605 29.6278 179.4640 25 C 4.5932 8.8393 124.6120 58.2352 40.4341 173.1528 26 L 4.1183 9.3997 123.3576 55.6541 42.1268 176.0225 27 C 4.8599 8.8546 115.4766 55.2010 41.0949 173.2554 28 I 3.9011 8.2302 125.5788 62.1735 37.7206 176.6281 29 K 4.4762 7.8250 120.8772 54.9468 33.2220 175.2612 30 T 4.9409 8.1088 114.5696 60.3654 72.2403 172.4826 31 T 4.7029 8.4689 115.5720 60.7159 70.5939 174.1266 32 S 4.7009 8.7009 117.6526 58.0281 63.9512 175.4301 33 G 3.9749 7.7412 112.5190 44.1042 0.0000 173.0861 34 I 4.6413 7.2897 114.1509 59.4592 41.4879 175.0576 35 H 4.7183 8.4630 121.1973 53.6691 31.1696 174.1236 36 P 4.3377 0.0000 0.0000 65.7157 31.2198 178.5239 37 K 4.1051 8.3642 117.0930 58.7579 32.3912 177.1344 38 N 4.6646 8.3014 115.2115 53.3119 39.0035 174.3740 39 I 4.5162 7.4372 120.5879 60.2904 38.4052 175.2234 40 Q 4.3881 9.2830 127.9224 58.2914 29.6498 175.4187 41 S 4.8098 7.7353 111.1548 57.0443 67.0656 172.3235 42 L 5.2780 8.3355 118.6779 52.9557 45.5292 175.7756 43 E 4.6341 9.1211 123.0062 54.3403 32.7744 174.3622 44 V 4.6356 8.5397 126.5816 61.3144 33.6666 174.5509 45 I 4.3665 8.8263 130.2390 59.3821 38.8579 176.0265 46 G 4.1071 8.6733 114.5486 45.3867 0.0000 172.6367 47 K 4.2813 8.6809 119.5898 57.0523 33.2534 177.1987 48 G 4.0112 8.1702 109.1840 45.9554 0.0000 174.1619 49 T 4.0179 8.7453 108.8648 64.0564 69.1595 174.9628 50 H 4.4774 8.1333 117.6497 57.4687 29.6026 175.5795 51 C 4.8675 7.4647 115.7990 56.0294 47.0996 173.2668 52 N 4.9789 8.6860 127.5961 52.7958 38.9904 174.1172 53 Q 4.6771 7.4222 112.6135 54.6134 31.6063 174.5186 54 V 4.0580 8.3603 121.4371 63.1325 32.6910 174.9629 55 E 4.7924 9.0977 125.6294 54.5008 33.6372 174.6748 56 V 4.8469 8.4159 122.9052 61.1093 34.8014 173.9066 57 I 4.9252 8.7678 128.1607 59.4996 40.2238 174.1335 58 A 4.9920 8.9357 129.7337 50.7616 21.1242 175.6219 59 T 4.7229 8.7855 120.6092 62.2563 70.1301 175.0312 60 L 4.6427 9.1833 127.1315 54.0777 42.6510 178.4389 61 K 3.8140 8.4071 120.7266 59.5403 32.0704 177.9885 62 D 4.5270 7.9343 115.5160 53.3461 39.9494 176.4565 63 G 4.0868 8.1528 108.6621 45.6835 0.0000 174.7394 64 R 4.2150 8.6540 118.8239 56.2342 31.3015 176.0159 65 K 5.2761 8.5343 120.2160 54.6416 35.5175 175.6638 66 I 4.6901 8.5933 116.3574 59.2150 41.4967 173.7141 67 C 4.9021 8.8190 122.4577 56.9475 41.0008 172.6444 68 L 5.1601 8.5701 124.4652 52.9236 44.1425 176.1604 69 D 4.6306 8.6956 122.1028 52.9511 41.2151 175.4853 70 P 4.3089 0.0000 0.0000 65.6093 31.5283 177.0044 71 D 4.5017 8.1401 116.4493 54.5450 41.3836 176.1282 72 A 4.2449 7.7729 124.2927 50.9099 19.3057 176.4314 73 P 4.2410 0.0000 0.0000 65.9855 31.3656 178.7244 74 R 3.9132 7.9910 116.6602 59.5742 29.9457 178.4986 75 I 3.7651 7.8474 119.6409 64.1345 37.1175 178.5230 76 K 4.0244 8.0013 119.2829 59.1604 31.8905 179.3770 77 K 3.9938 8.1784 119.2402 59.9797 32.6154 179.2076 78 I 3.6489 7.9088 121.2226 64.1896 37.0297 178.5201 79 V 3.6091 7.8188 118.8857 66.1273 31.3433 178.1670 80 Q 4.0077 8.0779 117.7712 58.8515 28.4599 178.7834 81 K 3.9955 8.2700 119.6630 59.2448 32.0381 179.5122 82 K 3.9245 8.1427 118.7833 59.4307 31.7951 178.8843 83 L 3.9219 7.6494 118.9613 58.3248 42.0469 178.6363 84 A 4.2174 7.7541 118.7715 53.0010 18.3786 177.9384 85 G 3.8174 8.0293 105.2003 46.2049 0.0000 173.4889 86 D 4.5470 8.1909 125.2688 54.0293 41.1715 176.2604 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 16 D 8.36 4.51 0.00 2.65 2.72 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 0.00 0.00 0.00 0.00 17 S 7.84 4.31 0.00 3.90 3.73 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 18 D 9.37 4.67 0.00 2.70 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 19 L 8.84 4.41 0.00 1.73 1.62 0.94 0.63 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 20 Y 8.48 4.13 0.00 2.88 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 21 A 7.83 3.38 1.08 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 0.00 0.00 22 E 7.72 4.00 0.00 2.00 1.87 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 2.31 2.24 0.00 23 L 8.35 4.70 0.00 1.57 1.52 0.91 0.89 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 24 R 7.75 5.31 0.00 1.81 1.27 0.00 3.46 0.00 0.00 3.87 7.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 25 C 8.84 4.59 0.00 2.95 3.22 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 26 L 9.40 4.12 0.00 1.73 1.71 0.96 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 27 C 8.85 4.86 0.00 3.00 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 28 I 8.23 3.90 1.87 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 1.29 0.77 0.91 0.00 0.00 29 K 7.83 4.48 0.00 1.70 1.69 0.00 1.72 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.35 1.41 7.81 30 T 8.11 4.94 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 1.21 0.00 0.00 31 T 8.47 4.70 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 1.25 0.00 0.00 32 S 8.70 4.70 0.00 3.97 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 33 G 7.74 3.97 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 0.00 0.00 0.00 34 I 7.29 4.64 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 1.30 0.65 0.92 0.00 0.00 35 H 8.46 4.72 0.00 3.19 3.20 0.00 5.68 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 36 P 0.00 4.34 0.00 2.25 2.27 0.00 3.35 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.91 0.00 37 K 8.36 4.11 0.00 1.79 1.91 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.51 1.45 7.81 38 N 8.30 4.66 0.00 2.94 2.84 0.00 0.00 6.78 7.17 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 39 I 7.44 4.52 1.99 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 1.19 0.67 0.95 0.00 0.00 40 Q 9.28 4.39 0.00 2.01 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.68 0.00 0.00 0.00 0.00 0.00 2.33 2.30 0.00 41 S 7.74 4.81 0.00 3.88 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 42 L 8.34 5.28 0.00 1.49 1.55 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 43 E 9.12 4.63 0.00 2.00 1.74 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 2.18 2.21 0.00 44 V 8.54 4.64 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 0.87 0.00 0.00 0.93 0.00 0.00 45 I 8.83 4.37 1.90 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 1.16 0.88 0.95 0.00 0.00 46 G 8.67 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 K 8.68 4.28 0.00 1.64 1.74 0.00 1.79 0.00 0.00 1.86 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.45 7.81 48 G 8.17 4.01 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 0.00 0.00 0.00 49 T 8.75 4.02 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 1.22 0.00 0.00 50 H 8.13 4.48 0.00 3.33 3.57 0.00 5.49 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 C 7.46 4.87 0.00 2.90 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 52 N 8.69 4.98 0.00 2.66 2.75 0.00 0.00 6.97 7.08 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 53 Q 7.42 4.68 0.00 2.04 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.73 0.00 0.00 0.00 0.00 0.00 2.21 2.34 0.00 54 V 8.36 4.06 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 0.80 0.00 0.00 0.93 0.00 0.00 55 E 9.10 4.79 0.00 1.94 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 2.21 2.37 0.00 56 V 8.42 4.85 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 1.10 0.00 0.00 0.93 0.00 0.00 57 I 8.77 4.93 1.87 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 1.16 0.91 0.91 0.00 0.00 58 A 8.94 4.99 1.23 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 59 T 8.79 4.72 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 60 L 9.18 4.64 0.00 1.78 1.58 0.93 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 61 K 8.41 3.81 0.00 1.78 1.89 0.00 1.69 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.48 1.55 7.81 62 D 7.93 4.53 0.00 2.76 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 63 G 8.15 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 R 8.65 4.21 0.00 1.85 1.86 0.00 3.06 0.00 0.00 3.17 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 65 K 8.53 5.28 0.00 1.59 1.67 0.00 1.69 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.32 1.52 7.81 66 I 8.59 4.69 1.87 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 1.23 0.81 0.91 0.00 0.00 67 C 8.82 4.90 0.00 2.98 3.09 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 0.00 0.00 0.00 0.00 68 L 8.57 5.16 0.00 1.50 1.57 0.92 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 69 D 8.70 4.63 0.00 2.74 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 P 0.00 4.31 0.00 2.21 2.17 0.00 3.81 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.17 0.00 71 D 8.14 4.50 0.00 2.82 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 72 A 7.77 4.24 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 73 P 0.00 4.24 0.00 2.16 2.13 0.00 3.61 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.16 0.00 74 R 7.99 3.91 0.00 1.86 1.92 0.00 3.16 0.00 0.00 3.40 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.71 0.00 75 I 7.85 3.77 2.06 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 1.52 0.81 0.91 0.00 0.00 76 K 8.00 4.02 0.00 1.92 1.85 0.00 1.66 0.00 0.00 1.87 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.67 7.81 77 K 8.18 3.99 0.00 2.03 2.06 0.00 1.20 0.00 0.00 1.63 0.00 0.00 3.01 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.41 1.71 7.81 78 I 7.91 3.65 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 1.38 0.95 0.90 0.00 0.00 79 V 7.82 3.61 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 1.03 0.00 0.00 0.98 0.00 0.00 80 Q 8.08 4.01 0.00 2.13 2.13 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 2.54 2.54 0.00 81 K 8.27 4.00 0.00 1.92 2.00 0.00 1.66 0.00 0.00 1.64 0.00 0.00 3.10 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.69 7.81 82 K 8.14 3.92 0.00 1.94 1.86 0.00 1.70 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.64 1.59 7.81 83 L 7.65 3.92 0.00 1.93 1.75 0.92 1.13 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 84 A 7.75 4.22 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 G 8.03 3.82 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 0.00 0.00 0.00 86 D 8.19 4.55 0.00 2.82 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00