NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.1395 8.2549 117.2596 54.8089 30.9755 175.1386 2 P 3.9954 0.0000 0.0000 62.2188 31.8232 176.2771 3 D 4.3902 8.3457 121.3453 56.9974 41.6724 178.5944 4 F 4.3031 8.0624 114.9009 59.9317 37.4441 177.6651 5 C 4.7128 7.3968 115.9526 58.9705 40.0003 174.7922 6 L 4.2073 7.9294 119.6148 54.5740 42.0115 176.9087 7 E 4.1335 7.6528 119.8055 55.3042 29.9752 175.2539 8 P 4.3185 0.0000 0.0000 61.4281 32.1208 174.3540 9 P 3.4352 0.0000 0.0000 62.7879 31.2598 175.3486 10 Y 4.5745 7.6054 121.0610 56.0545 40.1828 175.2753 11 T 4.1186 8.2671 125.6390 64.6395 68.9092 176.3019 12 G 3.6285 6.7413 107.8390 44.0368 0.0000 171.0292 13 P 4.4113 0.0000 0.0000 63.5288 31.9889 177.0744 14 C 4.5307 7.6814 117.1820 56.7494 41.0574 173.7884 15 K 4.3054 8.1846 118.4288 56.1778 32.4061 176.5840 16 A 4.1797 7.7806 122.3584 52.0286 19.9053 177.3892 17 R 4.2838 8.3071 117.6476 54.0360 31.0792 173.5298 18 I 4.4304 8.5314 123.1359 59.1093 39.9868 174.6115 19 I 4.1883 8.3132 128.2490 61.1671 37.6888 175.3250 20 R 4.8007 8.3908 125.3932 54.5249 34.9245 173.6153 21 Y 5.5195 9.2466 117.2367 56.4699 41.2588 175.4023 22 F 5.7666 9.3956 117.3320 55.3107 42.2994 172.9529 23 Y 4.4160 10.3000 122.7654 57.2756 40.3043 173.6647 24 N 4.7434 8.2454 126.2972 51.7948 39.5510 174.8497 25 A 3.9496 8.7363 129.9329 55.1971 18.7934 178.3541 26 K 3.9194 7.7686 114.9578 59.5927 32.1791 177.7448 27 A 4.1007 8.1423 119.7966 52.2020 18.9239 177.7706 28 G 4.4190 7.6047 103.3027 45.8949 0.0000 173.2383 29 L 4.8545 6.7293 114.4560 52.9622 46.6276 175.0519 30 C 5.0553 8.6087 117.3166 56.3312 40.4216 173.2517 31 Q 4.8388 8.4152 119.1380 54.2712 33.1686 174.7596 32 T 4.4960 8.5052 111.7453 62.0027 69.9733 173.2610 33 F 5.0455 9.0753 117.6222 55.9196 42.2404 172.9345 34 V 4.3735 8.4311 119.4170 61.7088 32.3472 174.1429 35 Y 4.8351 8.9290 130.3692 56.3700 40.5355 176.2187 36 G 3.8592 8.2002 112.3492 45.8825 0.0000 175.2162 37 G 3.7771 6.8450 108.2026 44.8612 0.0000 172.1852 38 C 4.9691 6.5134 112.1478 54.8380 44.6988 173.4167 39 R 3.9382 8.8927 117.1325 56.9420 26.7374 176.4837 40 A 4.0469 8.5917 119.8175 52.9477 18.5174 178.9253 41 K 4.2875 8.4710 122.2149 55.4264 33.3804 177.3170 42 R 3.5823 8.0250 117.9772 58.5315 30.5291 177.4804 43 N 4.7805 7.6672 118.3026 51.3124 37.3787 174.5290 44 N 5.0969 6.4527 116.4564 52.7992 41.8338 173.1016 45 F 5.0658 9.2426 124.0242 55.6808 42.8997 176.2195 46 K 4.2911 8.8982 121.6894 58.2880 32.7052 177.7223 47 S 4.3760 7.7615 112.3395 55.4413 67.3681 174.6070 48 A 3.5647 7.2784 123.9289 54.8183 17.9792 179.7519 49 E 3.7249 7.7565 117.5067 59.4082 29.8396 178.5094 50 D 4.2547 7.8450 118.8653 57.5342 40.9006 177.9480 51 C 2.0000 7.7445 118.6529 59.4336 42.3481 175.6359 52 M 3.8465 8.0153 120.2749 58.1005 31.2506 178.8982 53 R 3.8400 7.8090 117.9018 59.6492 30.3249 178.8453 54 T 4.1535 7.5457 114.0676 65.6085 68.7437 174.9541 55 C 4.4678 7.9365 115.0592 56.2454 42.2698 174.2191 56 G 3.6413 7.6783 113.5660 45.5922 0.0000 173.5517 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 R 8.25 4.14 0.00 1.63 1.79 0.00 3.00 0.00 0.00 2.91 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.47 0.00 2 P 0.00 4.00 0.00 0.52 1.45 0.00 3.20 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 1.66 1.96 0.00 3 D 8.35 4.39 0.00 2.71 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 4 F 8.06 4.30 0.00 3.35 3.36 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 5 C 7.40 4.71 0.00 2.91 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 6 L 7.93 4.21 0.00 1.76 1.76 0.94 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 7 E 7.65 4.13 0.00 2.13 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 2.37 2.42 0.00 8 P 0.00 4.32 0.00 2.04 1.97 0.00 3.76 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 1.94 1.92 0.00 9 P 0.00 3.44 0.00 1.02 0.49 0.00 3.11 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.44 0.00 10 Y 7.61 4.57 0.00 2.76 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 11 T 8.27 4.12 4.15 0.00 0.00 0.00 0.00 0.00 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 12 G 6.74 3.63 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 0.00 0.00 0.00 13 P 0.00 4.41 0.00 2.17 2.17 0.00 3.75 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.01 0.00 14 C 7.68 4.53 0.00 2.87 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 15 K 8.18 4.31 0.00 1.67 1.76 0.00 1.72 0.00 0.00 1.77 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.30 1.31 7.81 16 A 7.78 4.18 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.31 4.28 0.00 1.59 1.80 0.00 3.18 0.00 0.00 3.31 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.63 0.00 18 I 8.53 4.43 2.04 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 1.22 0.90 0.97 0.00 0.00 19 I 8.31 4.19 1.80 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 1.25 0.40 0.66 0.00 0.00 20 R 8.39 4.80 0.00 0.70 1.87 0.00 3.38 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.42 0.00 21 Y 9.25 5.52 0.00 3.15 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 22 F 9.40 5.77 0.00 3.11 2.99 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 23 Y 10.30 4.42 0.00 3.16 3.14 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 24 N 8.25 4.74 0.00 2.60 2.51 0.00 0.00 6.69 8.17 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 25 A 8.74 3.95 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 26 K 7.77 3.92 0.00 1.71 2.05 0.00 1.68 0.00 0.00 1.71 0.00 0.00 3.10 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.44 7.81 27 A 8.14 4.10 1.21 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 0.00 0.00 0.00 28 G 7.60 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 0.00 0.00 0.00 0.00 29 L 6.73 4.85 0.00 1.50 1.43 0.89 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 30 C 8.61 5.06 0.00 2.84 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 31 Q 8.42 4.84 0.00 1.12 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.97 0.00 0.00 0.00 0.00 0.00 2.19 2.06 0.00 32 T 8.51 4.50 4.04 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 0.80 0.00 0.00 33 F 9.08 5.05 0.00 3.07 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 34 V 8.43 4.37 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 0.73 0.00 0.00 0.90 0.00 0.00 35 Y 8.93 4.84 0.00 2.51 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 36 G 8.20 3.86 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 0.00 0.00 0.00 37 G 6.84 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 6.51 4.97 0.00 3.04 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 39 R 8.89 3.94 0.00 2.17 2.44 0.00 3.33 0.00 0.00 3.33 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.70 0.00 40 A 8.59 4.05 1.07 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 41 K 8.47 4.29 0.00 1.74 1.86 0.00 1.38 0.00 0.00 1.45 0.00 0.00 2.13 0.00 0.00 2.41 0.00 0.00 0.00 0.00 1.20 1.14 7.81 42 R 8.03 3.58 0.00 1.04 0.66 0.00 2.60 0.00 0.00 2.93 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.29 0.00 43 N 7.67 4.78 0.00 3.23 2.86 0.00 0.00 6.90 8.44 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 44 N 6.45 5.10 0.00 2.68 2.62 0.00 0.00 7.07 7.02 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 45 F 9.24 5.07 0.00 3.37 2.99 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 46 K 8.90 4.29 0.00 1.84 1.96 0.00 1.75 0.00 0.00 1.81 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.48 7.81 47 S 7.76 4.38 0.00 3.81 3.86 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 48 A 7.28 3.56 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 7.76 3.72 0.00 1.96 1.85 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 2.32 2.33 0.00 50 D 7.84 4.25 0.00 2.98 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 C 7.74 2.00 0.00 2.86 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 52 M 8.02 3.85 0.00 2.00 2.06 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.77 0.00 53 R 7.81 3.84 0.00 1.89 1.94 0.00 3.11 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.73 0.00 54 T 7.55 4.15 4.12 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 1.65 0.00 0.00 55 C 7.94 4.47 0.00 2.68 1.97 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 56 G 7.68 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00