NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.6471 8.2076 120.5336 54.5490 43.3760 177.3805 2 Y 3.9925 8.1720 117.8060 59.7212 37.5555 177.0559 3 L 3.7612 7.6151 121.6398 57.4160 42.1228 180.4863 4 R 3.8599 7.6894 117.6045 59.2288 30.0299 178.5619 5 E 3.9493 8.4405 119.4061 59.1540 29.6261 178.8369 6 L 4.0255 8.0373 119.1245 57.6207 41.6078 179.1623 7 L 3.9223 8.1303 120.4344 58.0053 41.9523 178.7113 8 K 3.8473 8.3124 119.8447 59.8094 32.0114 178.5402 9 L 3.9968 8.0381 118.9202 57.9488 41.4188 179.5049 10 E 4.0404 8.1838 118.5622 59.3398 29.2708 179.3525 11 L 4.0382 8.3302 119.4950 57.8328 41.1323 179.6123 12 Q 4.2134 8.5364 118.5576 58.7838 28.7051 178.9432 13 G 3.6642 8.5115 107.2551 47.8255 0.0000 175.5884 14 I 3.8685 8.2530 121.6148 63.6859 37.9273 177.8982 15 K 3.9607 7.8022 119.2578 59.5420 32.0880 178.8523 16 Q 3.9857 7.8011 117.3356 59.1738 28.5926 178.3720 17 Y 4.1236 7.9495 117.6435 61.1075 37.9690 178.8374 18 R 3.9769 8.4013 119.2467 59.1169 29.7370 178.6703 19 E 4.2143 8.6369 120.2367 58.7520 29.6018 178.6790 20 A 4.3083 7.9972 120.6207 55.3386 18.2720 179.5994 21 L 4.3271 7.8049 117.2330 56.9333 41.7507 179.0672 22 E 3.9519 8.0155 118.7012 58.8304 29.0270 178.1172 23 Y 4.4968 7.1767 115.0247 57.7414 39.1508 176.5503 24 V 4.4218 7.9237 113.7346 59.6260 34.5432 176.5450 25 K 4.5208 8.4643 127.8646 54.9477 30.8742 176.4429 26 L 4.4069 7.4193 120.0198 53.0859 42.7736 176.5578 27 P 4.2999 0.0000 0.0000 65.5974 31.2173 178.9546 28 V 3.6078 7.7883 117.5588 64.8442 31.2210 178.3615 29 L 4.0469 8.0504 119.4017 57.4663 41.4739 179.2646 30 A 3.9906 7.9354 120.2704 54.7755 18.0830 179.7050 31 K 3.8992 8.1772 117.6220 59.5768 32.0809 179.6330 32 I 3.5263 7.7059 120.1409 64.1108 36.9341 178.1761 33 L 3.6661 7.7138 121.2245 58.0739 41.3482 178.6753 34 E 3.8239 8.0782 119.2141 59.1900 29.4047 178.6316 35 D 4.1019 7.5209 118.8705 57.2359 40.8023 178.4936 36 E 3.6638 7.9500 119.0621 59.3815 29.3996 179.3278 37 E 3.8365 8.1448 118.6009 58.9885 29.3266 179.3104 38 K 3.5163 7.2727 119.0983 59.1793 32.0596 178.4132 39 H 4.0999 7.8478 116.8820 59.1271 28.6144 177.6730 40 I 3.6890 7.8235 121.4387 64.4446 36.8725 178.2158 41 E 4.2124 7.8615 121.4471 58.3675 29.4494 178.8503 42 W 4.4539 8.3788 119.4783 59.8529 29.1564 178.3873 43 L 4.0507 8.3344 119.0231 57.9325 40.5517 179.3240 44 E 3.9808 8.4622 118.6024 59.8120 29.3513 179.6546 45 T 3.9337 8.2063 115.9104 66.6622 68.4062 176.6437 46 I 3.8792 7.6859 112.7831 62.9903 37.9268 177.2395 47 L 4.2159 7.8066 119.4076 54.7953 41.7786 176.8981 48 G 4.0903 8.0147 113.4938 45.8054 0.0000 173.4202 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 D 8.21 4.65 0.00 2.82 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 2 Y 8.17 3.99 0.00 3.31 3.17 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 0.00 0.00 0.00 0.00 3 L 7.62 3.76 0.00 1.36 1.51 0.65 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 4 R 7.69 3.86 0.00 2.00 1.96 0.00 3.31 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.62 0.00 5 E 8.44 3.95 0.00 2.10 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 0.00 2.35 2.43 0.00 6 L 8.04 4.03 0.00 1.90 1.74 1.04 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 7 L 8.13 3.92 0.00 1.74 1.87 0.93 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 8 K 8.31 3.85 0.00 1.92 1.99 0.00 1.70 0.00 0.00 1.66 0.00 0.00 3.09 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.55 1.51 7.81 9 L 8.04 4.00 0.00 1.93 1.74 0.95 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.18 4.04 0.00 2.19 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 2.56 2.54 0.00 11 L 8.33 4.04 0.00 1.82 1.72 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 12 Q 8.54 4.21 0.00 2.23 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.51 0.00 13 G 8.51 3.66 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 0.00 0.00 0.00 14 I 8.25 3.87 2.05 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.54 0.99 0.00 0.00 15 K 7.80 3.96 0.00 1.93 1.99 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.49 7.81 16 Q 7.80 3.99 0.00 2.08 1.97 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 2.51 2.47 0.00 17 Y 7.95 4.12 0.00 3.24 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 18 R 8.40 3.98 0.00 2.09 1.99 0.00 3.15 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.76 0.00 19 E 8.64 4.21 0.00 2.09 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 2.46 2.39 0.00 20 A 8.00 4.31 1.43 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 0.00 0.00 0.00 0.00 0.00 0.00 21 L 7.80 4.33 0.00 1.81 1.76 1.03 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 22 E 8.02 3.95 0.00 2.11 1.30 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 2.15 2.26 0.00 23 Y 7.18 4.50 0.00 3.20 2.98 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 24 V 7.92 4.42 2.12 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 0.98 0.00 0.00 1.03 0.00 0.00 25 K 8.46 4.52 0.00 1.75 1.78 0.00 1.75 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.39 7.81 26 L 7.42 4.41 0.00 1.74 1.63 0.95 1.06 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 P 0.00 4.30 0.00 2.15 2.10 0.00 3.61 0.00 0.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.15 0.00 28 V 7.79 3.61 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 0.92 0.00 0.00 0.94 0.00 0.00 29 L 8.05 4.05 0.00 1.90 1.90 1.01 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 30 A 7.94 3.99 1.33 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 31 K 8.18 3.90 0.00 1.88 1.82 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.45 7.81 32 I 7.71 3.53 1.47 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 1.30 0.71 0.07 0.00 0.00 33 L 7.71 3.67 0.00 1.74 1.72 0.88 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 34 E 8.08 3.82 0.00 2.00 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 0.00 2.20 2.25 0.00 35 D 7.52 4.10 0.00 2.70 2.42 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 0.00 36 E 7.95 3.66 0.00 1.84 1.92 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 2.21 2.28 0.00 37 E 8.14 3.84 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 2.26 2.37 0.00 38 K 7.27 3.52 0.00 1.39 1.44 0.00 1.12 0.00 0.00 0.61 0.00 0.00 2.99 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.30 0.79 7.81 39 H 7.85 4.10 0.00 3.36 3.35 0.00 5.70 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 I 7.82 3.69 1.95 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 1.40 0.63 0.90 0.00 0.00 41 E 7.86 4.21 0.00 1.98 1.92 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 2.39 2.23 0.00 42 W 8.38 4.45 0.00 3.60 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 43 L 8.33 4.05 0.00 1.72 1.73 0.99 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 44 E 8.46 3.98 0.00 2.17 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 2.34 2.54 0.00 45 T 8.21 3.93 4.55 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 1.25 0.00 0.00 46 I 7.69 3.88 1.86 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 1.84 0.49 0.90 0.00 0.00 47 L 7.81 4.22 0.00 1.85 1.73 0.88 0.89 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 48 G 8.01 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