NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.1844 8.2549 119.6626 55.1223 32.5925 175.7951 2 P 3.9735 0.0000 0.0000 62.4628 31.2592 175.3180 3 D 4.5436 8.3373 120.8471 55.8107 42.1713 177.9774 4 F 4.4728 7.7286 114.3597 59.1073 38.3402 177.9017 5 C 4.6486 7.5584 118.2288 58.9610 40.0747 174.2983 6 L 4.2263 7.4258 117.5392 55.2318 41.8549 176.6582 7 E 4.3192 7.6656 119.4347 54.7761 30.1446 174.9519 8 P 4.4616 0.0000 0.0000 61.3721 32.1371 174.3581 9 P 3.5126 0.0000 0.0000 62.6605 31.3326 175.4759 10 Y 4.6008 7.7355 122.0368 56.1105 39.6598 175.3261 11 T 4.2746 7.7067 124.9224 64.7261 68.8485 176.2127 12 G 3.6700 6.9002 105.5229 43.8871 0.0000 171.1230 13 P 4.3337 0.0000 0.0000 64.6883 32.0447 177.6767 14 C 4.4956 7.8236 116.5187 56.7962 40.8267 173.6265 15 K 4.4832 8.2143 119.9139 56.1680 32.3536 176.3258 16 A 4.2156 7.7805 122.5245 51.8018 20.1667 177.3952 17 R 4.2935 8.3965 118.9995 54.7637 31.4353 174.2133 18 I 4.5277 8.3296 126.9712 59.1738 40.3181 174.9512 19 I 4.3903 8.3435 128.2462 60.9999 37.8563 175.4977 20 R 4.8153 8.3341 124.5842 54.7918 35.0254 173.5588 21 Y 5.7100 9.2375 118.0284 56.6525 41.0571 175.0769 22 F 5.7258 9.5928 116.6188 55.4567 42.1840 173.0511 23 Y 4.3147 9.8324 122.7938 57.0734 39.3290 174.6671 24 N 4.5186 8.1557 127.5529 52.1821 38.9936 175.4874 25 A 3.7892 8.4701 130.5704 54.7511 19.0535 178.4601 26 K 3.9762 8.1893 115.8226 59.3934 31.8780 177.5065 27 A 4.0615 7.9648 120.3835 52.2071 18.8397 178.6718 28 G 3.8705 8.0325 103.2978 45.6504 0.0000 173.1879 29 L 4.7992 6.6770 118.7216 52.7705 46.7892 174.7540 30 C 4.8707 8.6865 118.4712 57.2390 39.0074 173.2950 31 Q 4.9135 8.5640 121.9312 54.2167 32.7710 174.7559 32 T 5.0938 8.5208 111.3132 61.1420 71.0416 173.2570 33 F 5.0384 9.1406 117.3523 55.7413 42.4874 172.9509 34 V 4.2612 8.4224 118.6381 61.8218 32.8944 173.5236 35 Y 4.7344 8.5203 130.3834 56.0354 40.1504 176.5417 36 G 4.0977 7.9932 113.9404 46.6807 0.0000 174.9409 37 G 3.9498 6.5783 106.8219 45.1772 0.0000 172.3725 38 C 4.9822 6.7639 112.3724 54.9760 44.6338 173.5019 39 R 3.9717 8.8661 117.4619 56.9815 26.8347 176.3188 40 A 4.0354 8.5609 119.3105 53.0508 18.4689 178.8829 41 K 4.2701 8.4288 121.6932 55.0899 33.6451 177.3473 42 R 3.5138 7.9549 118.1911 59.1692 30.3160 177.8323 43 N 4.8867 7.7056 117.1879 51.5352 37.2314 174.2437 44 N 5.0181 6.5893 115.7702 53.0699 41.4391 173.1488 45 F 5.0014 9.3490 124.9055 55.6904 42.2864 176.5023 46 K 4.4857 8.8446 122.3013 57.7416 32.7690 177.6415 47 S 4.4134 7.7187 113.2017 55.3736 67.2957 174.5433 48 A 3.5559 7.4610 124.8779 55.1828 18.0378 179.6449 49 E 3.7705 7.9640 116.5088 59.7638 29.6271 178.8471 50 D 4.3138 7.6629 117.9243 57.8365 41.0504 178.2188 51 C 2.0000 7.6690 118.3603 59.5872 43.2867 175.7094 52 M 3.8452 8.0102 120.0644 58.0742 31.4150 178.5194 53 R 3.7663 7.9291 118.3702 59.6467 30.1648 178.1693 54 T 4.2126 7.4505 114.2003 65.5011 68.9267 175.5209 55 C 4.7109 7.5861 115.8178 55.6683 42.3843 174.3820 56 G 3.6401 7.4236 108.9304 46.4062 0.0000 173.3370 57 G 3.8359 8.5349 112.1996 46.2554 0.0000 172.6260 58 A 4.1948 8.0480 125.4386 52.4937 18.9880 177.5312 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 4.18 0.00 1.71 1.98 0.00 3.13 0.00 0.00 3.17 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.81 0.00 2 P 0.00 3.97 0.00 0.96 1.69 0.00 3.33 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 2.02 0.00 3 D 8.34 4.54 0.00 2.71 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 7.73 4.47 0.00 3.17 3.33 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 5 C 7.56 4.65 0.00 2.96 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 6 L 7.43 4.23 0.00 1.70 1.76 0.93 0.96 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 7 E 7.67 4.32 0.00 2.22 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 2.38 2.46 0.00 8 P 0.00 4.46 0.00 1.97 1.94 0.00 3.69 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 9 P 0.00 3.51 0.00 0.83 0.49 0.00 3.35 0.00 0.00 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.44 0.00 10 Y 7.74 4.60 0.00 2.80 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 11 T 7.71 4.27 4.13 0.00 0.00 0.00 0.00 0.00 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 12 G 6.90 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 0.00 0.00 0.00 0.00 13 P 0.00 4.33 0.00 2.17 2.18 0.00 3.71 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.03 0.00 14 C 7.82 4.50 0.00 2.81 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 15 K 8.21 4.48 0.00 1.65 1.72 0.00 1.71 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.28 1.51 7.81 16 A 7.78 4.22 1.22 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 0.00 0.00 17 R 8.40 4.29 0.00 1.74 1.79 0.00 3.15 0.00 0.00 3.19 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.57 0.00 18 I 8.33 4.53 2.02 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.62 0.97 0.00 0.00 19 I 8.34 4.39 1.79 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.68 0.71 0.00 0.00 20 R 8.33 4.82 0.00 0.90 1.72 0.00 3.34 0.00 0.00 3.20 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.54 0.00 21 Y 9.24 5.71 0.00 3.12 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 22 F 9.59 5.73 0.00 3.24 3.10 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 0.00 0.00 0.00 0.00 23 Y 9.83 4.31 0.00 2.96 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 24 N 8.16 4.52 0.00 2.43 2.45 0.00 0.00 6.68 8.98 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 25 A 8.47 3.79 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 26 K 8.19 3.98 0.00 1.72 1.83 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.44 7.81 27 A 7.96 4.06 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 28 G 8.03 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 29 L 6.68 4.80 0.00 1.65 1.40 0.91 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 30 C 8.69 4.87 0.00 2.86 3.13 0.00 0.00 0.00 0.00 0.00 0.00 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 8.56 4.91 0.00 1.42 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.80 0.00 0.00 0.00 0.00 0.00 2.18 2.00 0.00 32 T 8.52 5.09 4.06 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 0.52 0.00 0.00 33 F 9.14 5.04 0.00 3.01 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 34 V 8.42 4.26 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 0.88 0.00 0.00 0.90 0.00 0.00 35 Y 8.52 4.73 0.00 2.53 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 7.99 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 G 6.58 3.95 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 0.00 0.00 0.00 38 C 6.76 4.98 0.00 3.06 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 39 R 8.87 3.97 0.00 2.35 2.36 0.00 3.37 0.00 0.00 3.31 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.71 0.00 40 A 8.56 4.04 0.98 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 0.00 0.00 41 K 8.43 4.27 0.00 1.68 1.62 0.00 1.27 0.00 0.00 1.41 0.00 0.00 2.13 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.04 0.79 7.81 42 R 7.95 3.51 0.00 0.67 0.66 0.00 2.67 0.00 0.00 2.94 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.26 0.00 43 N 7.71 4.89 0.00 3.22 2.92 0.00 0.00 6.70 7.79 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 44 N 6.59 5.02 0.00 2.75 2.66 0.00 0.00 7.08 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 9.35 5.00 0.00 3.31 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 46 K 8.84 4.49 0.00 1.83 1.94 0.00 1.74 0.00 0.00 1.80 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.49 1.47 7.81 47 S 7.72 4.41 0.00 4.17 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 7.46 3.56 0.95 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 0.00 0.00 49 E 7.96 3.77 0.00 1.98 1.95 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 2.35 2.40 0.00 50 D 7.66 4.31 0.00 2.96 2.89 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 51 C 7.67 2.00 0.00 2.79 3.01 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 52 M 8.01 3.85 0.00 1.98 1.98 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.72 0.00 53 R 7.93 3.77 0.00 1.71 1.90 0.00 3.22 0.00 0.00 3.21 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 54 T 7.45 4.21 4.21 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 1.64 0.00 0.00 55 C 7.59 4.71 0.00 2.81 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 0.00 0.00 0.00 0.00 56 G 7.42 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 57 G 8.53 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 58 A 8.05 4.19 1.09 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