NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 4.0689 8.3393 108.0155 44.4829 0.0000 172.8705 2 E 4.6570 9.1286 118.1064 53.1648 32.7760 172.7685 3 D 4.7211 8.6021 122.0524 52.1419 43.9788 177.3031 4 G 3.5946 6.5962 108.6066 46.2554 0.0000 171.1071 5 Y 4.9576 7.6167 117.2845 56.2511 38.0504 175.4459 6 I 4.1509 8.3843 125.1592 61.7769 39.2090 174.3713 7 A 5.1155 8.5121 128.8972 50.7876 23.2214 174.7078 8 D 4.7762 8.7802 119.2847 51.8285 41.1368 177.8504 9 G 3.9073 8.6183 104.9055 47.1893 0.0000 173.2708 10 D 4.8277 8.7380 120.2284 53.8403 42.0026 175.2416 11 N 4.1680 8.0204 113.4583 55.1443 38.0430 173.1401 12 C 4.8585 7.9458 112.9863 54.7935 43.3235 174.8353 13 T 4.8156 8.0935 114.0210 60.9660 69.8416 172.6340 14 Y 4.6305 8.3664 118.3715 56.1546 40.1059 176.0500 15 I 4.7177 8.5942 125.3067 61.9593 38.3044 173.7944 16 C 5.0334 8.6389 118.7229 55.9234 44.5486 173.4858 17 T 4.5331 8.7737 111.7233 64.5206 72.2366 174.6173 18 F 5.0775 8.0632 118.7725 55.4877 41.5304 176.3604 19 N 4.5298 8.9346 121.6472 56.3574 38.3228 176.9739 20 N 4.2762 8.4194 118.0865 57.0326 38.9258 175.7341 21 Y 4.3203 7.7710 119.2440 61.3390 38.8783 177.6714 22 C 3.8630 8.2166 116.6670 59.9951 37.5085 175.3750 23 H 4.0415 8.5452 119.8816 59.1296 29.3444 177.0516 24 A 3.9618 7.9307 123.7433 54.5064 17.9894 179.0109 25 L 3.6818 7.6647 118.5856 58.5944 41.9511 178.7267 26 C 4.1446 8.5246 116.5463 60.1237 36.8930 176.2057 27 T 3.8293 8.0768 111.7262 65.0613 68.0599 176.0576 28 D 4.3563 8.4945 121.1748 56.5333 40.7618 177.9190 29 K 4.3285 7.1581 116.7645 55.8631 32.2482 177.2439 30 K 3.8463 8.2044 117.1322 56.9391 29.8112 176.4070 31 G 3.8795 7.8033 107.0365 45.4561 0.0000 174.3635 32 D 4.7364 8.8913 120.4539 57.0225 41.5898 176.8821 33 S 4.4543 7.7056 110.6409 58.2039 66.0010 174.4052 34 G 4.6138 8.7639 105.7158 45.5040 0.0000 171.7353 35 A 4.7930 8.9773 120.6334 50.7159 23.3697 174.5346 36 C 4.8013 8.4967 119.9035 55.3308 39.2534 172.7230 37 D 4.4437 8.8204 127.7521 52.7812 40.9869 177.1269 38 W 4.0324 8.2315 127.3097 58.4631 29.2637 176.8774 39 W 5.0228 7.5269 118.3313 54.3205 28.4283 174.5793 40 V 4.5003 8.0443 121.6887 59.7920 34.1051 174.7233 41 P 4.2057 0.0000 0.0000 64.4123 31.0777 176.9272 42 Y 4.5716 7.0055 114.1124 57.1239 39.2858 175.1879 43 G 3.8907 7.6377 105.3979 44.0826 0.0000 174.3969 44 V 4.5197 8.5240 123.6319 62.1237 32.2717 176.3426 45 V 5.2409 8.4524 120.3758 59.3725 36.1881 174.5660 46 C 5.0920 9.2313 120.4792 56.9025 40.5721 172.6151 47 W 4.7961 9.2314 133.4376 55.6959 33.3836 173.6116 48 C 5.2332 7.8090 123.0444 54.9125 42.5252 172.2812 49 E 4.3736 8.7199 123.1542 54.1752 31.3636 175.3194 50 D 4.1935 8.2686 125.6341 55.1325 38.9951 172.8227 51 L 4.3359 8.0945 121.4465 52.8170 43.8392 174.3629 52 P 4.6763 0.0000 0.0000 62.3555 32.0138 177.5106 53 T 3.9394 8.2262 109.6904 64.0577 68.9248 174.2926 54 P 4.2722 0.0000 0.0000 64.0925 31.5487 175.9865 55 V 4.2508 7.0825 118.5669 60.1595 33.0403 173.6620 56 P 4.7001 0.0000 0.0000 62.5747 32.6076 175.1927 57 I 5.0184 7.9303 114.0747 58.6506 40.9198 174.8616 58 R 3.7716 9.0104 124.5480 57.3286 30.2849 175.7668 59 G 4.2570 8.3499 113.4865 42.9713 0.0000 171.9373 60 S 4.1633 8.4222 113.7741 59.2982 63.0718 172.4718 61 G 3.8697 8.6020 111.3604 44.3284 0.0000 173.1843 62 K 4.3792 8.4180 118.8283 55.4333 33.6265 176.3353 63 C 5.0307 8.5601 120.8420 54.8684 44.8724 173.8925 64 R 4.2143 8.2375 123.2544 56.3174 29.0674 175.1763 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 G 8.34 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 2 E 9.13 4.66 0.00 1.95 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 0.00 2.17 2.33 0.00 3 D 8.60 4.72 0.00 2.66 2.34 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 4 G 6.60 3.59 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 0.00 0.00 0.00 5 Y 7.62 4.96 0.00 3.00 2.96 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 0.00 0.00 0.00 6 I 8.38 4.15 1.71 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.26 0.77 0.00 0.00 7 A 8.51 5.12 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 8 D 8.78 4.78 0.00 2.89 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.62 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 0.00 0.00 0.00 10 D 8.74 4.83 0.00 2.74 2.73 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 11 N 8.02 4.17 0.00 2.83 2.99 0.00 0.00 6.81 7.73 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 12 C 7.95 4.86 0.00 3.03 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 13 T 8.09 4.82 4.27 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 0.87 0.00 0.00 14 Y 8.37 4.63 0.00 2.98 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 15 I 8.59 4.72 1.95 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.77 0.98 0.00 0.00 16 C 8.64 5.03 0.00 3.31 3.45 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.77 4.53 4.08 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 0.61 0.00 0.00 18 F 8.06 5.08 0.00 3.22 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 19 N 8.93 4.53 0.00 2.80 2.87 0.00 0.00 6.67 6.92 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 20 N 8.42 4.28 0.00 2.84 2.91 0.00 0.00 6.83 7.56 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 21 Y 7.77 4.32 0.00 3.18 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 22 C 8.22 3.86 0.00 3.12 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 23 H 8.55 4.04 0.00 3.34 3.48 0.00 5.79 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 A 7.93 3.96 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.66 3.68 0.00 1.32 1.45 0.54 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 26 C 8.52 4.14 0.00 2.97 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 27 T 8.08 3.83 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 0.95 0.00 0.00 28 D 8.49 4.36 0.00 2.74 2.73 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 29 K 7.16 4.33 0.00 1.69 1.71 0.00 1.70 0.00 0.00 1.61 0.00 0.00 2.86 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.65 1.43 7.81 30 K 8.20 3.85 0.00 1.81 1.91 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.30 1.47 7.81 31 G 7.80 3.88 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 0.00 0.00 0.00 32 D 8.89 4.74 0.00 2.65 2.73 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 33 S 7.71 4.45 0.00 4.00 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 34 G 8.76 4.61 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 0.00 0.00 0.00 35 A 8.98 4.79 1.19 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 0.00 0.00 0.00 0.00 0.00 0.00 36 C 8.50 4.80 0.00 3.15 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 37 D 8.82 4.44 0.00 2.93 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 W 8.23 4.03 0.00 2.10 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 0.00 0.00 0.00 39 W 7.53 5.02 0.00 3.29 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 40 V 8.04 4.50 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 0.57 0.00 0.00 1.14 0.00 0.00 41 P 0.00 4.21 0.00 0.96 1.73 0.00 3.10 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.91 0.00 42 Y 7.01 4.57 0.00 2.89 2.94 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 43 G 7.64 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 44 V 8.52 4.52 2.21 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 1.24 0.00 0.00 0.89 0.00 0.00 45 V 8.45 5.24 2.28 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 0.88 0.00 0.00 1.01 0.00 0.00 46 C 9.23 5.09 0.00 2.93 2.96 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 0.00 0.00 0.00 47 W 9.23 4.80 0.00 3.33 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 48 C 7.81 5.23 0.00 2.44 2.58 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 49 E 8.72 4.37 0.00 2.21 1.79 0.00 0.00 0.00 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 2.42 0.00 50 D 8.27 4.19 0.00 2.93 2.58 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 51 L 8.09 4.34 0.00 1.42 1.45 0.76 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 4.68 0.00 2.16 1.91 0.00 3.56 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.01 0.00 53 T 8.23 3.94 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 1.18 0.00 0.00 54 P 0.00 4.27 0.00 2.03 2.13 0.00 3.55 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.05 0.00 55 V 7.08 4.25 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 0.72 0.00 0.00 0.87 0.00 0.00 56 P 0.00 4.70 0.00 2.12 1.94 0.00 3.58 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.07 0.00 57 I 7.93 5.02 1.85 0.00 0.00 0.83 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 0.66 0.86 0.00 0.00 58 R 9.01 3.77 0.00 1.50 1.77 0.00 3.07 0.00 0.00 2.89 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.39 0.00 59 G 8.35 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 0.00 0.00 0.00 0.00 60 S 8.42 4.16 0.00 3.89 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 61 G 8.60 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 0.00 0.00 0.00 62 K 8.42 4.38 0.00 1.74 1.75 0.00 1.63 0.00 0.00 1.65 0.00 0.00 3.03 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.41 1.49 7.81 63 C 8.56 5.03 0.00 3.08 2.96 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 0.00 0.00 0.00 64 R 8.24 4.21 0.00 1.85 1.82 0.00 3.31 0.00 0.00 3.41 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.66 0.00