NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 R 4.3695 8.1127 119.6563 56.1021 32.2574 173.7081 5 E 4.7858 8.4484 121.1432 53.2992 32.4035 173.7039 6 C 4.2929 9.7805 127.9081 59.1364 32.7892 173.5847 7 D 4.4137 8.4503 126.2345 56.0154 39.8410 175.7335 8 Y 4.3940 7.2167 118.4287 58.6782 41.2406 176.2303 9 C 3.9322 7.9670 114.4921 58.9817 30.7673 175.5291 10 G 4.0782 8.3156 107.9019 44.9824 0.0000 173.6351 11 T 4.3327 7.6314 109.6451 61.4023 70.3976 173.5327 12 D 4.9304 8.5431 122.7488 54.5498 41.6808 175.9710 13 I 4.1962 8.5766 125.0577 60.0026 38.1161 175.5624 14 E 3.9535 8.9257 128.8324 55.3094 29.8340 174.5254 15 P 4.2408 0.0000 0.0000 64.3204 31.5185 175.5758 16 G 3.9822 8.8568 106.0337 46.4210 0.0000 173.4654 17 T 4.4532 7.9429 112.8005 62.9456 72.4684 174.2284 18 G 4.0970 9.2237 109.3912 45.3950 0.0000 172.5542 19 T 4.7774 8.6492 113.8725 61.7640 72.6407 173.2024 20 M 5.0013 8.7510 124.7756 53.9021 34.0210 174.5225 21 F 4.7713 9.3396 129.9921 57.2515 41.2321 174.4137 22 V 4.2696 7.6569 126.4126 61.3757 32.1861 175.2701 23 H 4.0678 8.7152 126.0951 54.9489 29.5472 176.8553 24 K 3.8971 8.6951 121.7983 59.7661 31.9620 177.9227 25 D 4.3841 8.0106 116.2877 54.7752 39.3084 176.6275 26 G 3.9011 7.6786 105.9939 44.9957 0.0000 174.0737 27 A 4.2116 9.4732 123.5771 52.7473 19.6237 176.5645 28 T 5.0222 8.4069 115.4587 62.1113 71.8836 174.2809 29 T 4.6088 8.9112 121.4061 62.1590 72.3732 172.6546 30 H 4.9548 9.7500 125.4980 55.2808 30.3059 174.8060 31 F 5.2073 9.5832 122.1903 55.8822 41.5084 176.4265 32 C 4.3584 9.1370 117.0271 60.3183 30.6106 173.7618 33 S 4.6789 7.6780 114.0328 56.0177 66.7291 174.9794 34 S 4.8404 8.4718 118.1717 60.8244 62.7517 176.1994 35 K 3.8117 7.9819 122.8174 59.5693 31.8732 178.4345 36 C 4.2554 7.7508 116.5044 62.7326 28.1985 175.4835 37 E 2.5400 7.5935 119.6446 59.4488 29.0106 179.4363 38 N 4.2010 8.2014 116.2799 56.3694 38.3886 177.3285 39 N 4.5163 8.0335 117.7642 55.9035 38.2805 177.4340 40 A 4.2201 7.7048 122.2950 55.4514 18.3781 179.4091 41 D 4.1025 7.8175 115.7903 57.1635 40.9173 178.4505 42 L 4.2899 7.3421 116.1448 55.0933 41.8802 177.7998 43 G 3.9761 9.0749 108.3022 45.3670 0.0000 174.0459 44 R 4.3242 7.4882 118.1820 55.5637 31.0911 175.6171 45 E 4.6378 8.4734 119.2861 54.2725 31.7536 176.9895 46 A 3.3943 8.1940 126.5746 55.3000 18.3637 179.7854 47 R 3.8196 7.6830 113.3467 58.9398 30.2015 177.1678 48 N 4.5746 8.0724 113.0318 53.1105 39.0573 174.5893 49 L 4.5723 7.1836 119.8534 52.6880 42.7361 177.3971 50 E 4.0141 8.7784 124.1616 58.2664 29.6678 178.1264 51 W 4.4997 7.6325 114.6360 58.1131 29.2407 177.0045 52 T 3.6550 6.5102 117.4475 63.0204 68.2644 175.2455 53 D 4.3587 8.6023 125.5808 57.7633 41.1270 178.0290 54 T 3.8142 8.0163 115.4957 66.6329 68.6294 175.1908 55 A 3.9867 7.7843 122.6958 55.2024 18.6023 177.5661 56 R 4.1019 7.6825 118.2204 56.5519 30.1217 176.3512 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 4 R 8.11 4.37 0.00 1.78 1.89 0.00 3.00 0.00 0.00 3.19 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 5 E 8.45 4.79 0.00 1.94 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.41 0.00 6 C 9.78 4.29 0.00 3.05 2.87 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 7 D 8.45 4.41 0.00 2.68 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 8 Y 7.22 4.39 0.00 2.86 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 9 C 7.97 3.93 0.00 2.98 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 10 G 8.32 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 0.00 0.00 0.00 0.00 11 T 7.63 4.33 4.30 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 1.32 0.00 0.00 12 D 8.54 4.93 0.00 2.61 2.66 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 13 I 8.58 4.20 1.90 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.60 0.98 0.00 0.00 14 E 8.93 3.95 0.00 1.93 1.91 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 2.31 2.38 0.00 15 P 0.00 4.24 0.00 2.22 2.08 0.00 3.97 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.01 0.00 16 G 8.86 3.98 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 0.00 17 T 7.94 4.45 4.52 0.00 0.00 0.00 0.00 0.00 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 18 G 9.22 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 19 T 8.65 4.78 4.51 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 20 M 8.75 5.00 0.00 1.97 1.84 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.40 0.00 21 F 9.34 4.77 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 22 V 7.66 4.27 1.86 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 0.73 0.00 0.00 0.84 0.00 0.00 23 H 8.72 4.07 0.00 3.36 3.22 0.00 5.68 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 K 8.70 3.90 0.00 1.74 1.86 0.00 1.81 0.00 0.00 1.78 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.44 7.81 25 D 8.01 4.38 0.00 2.82 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 26 G 7.68 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 0.00 0.00 0.00 27 A 9.47 4.21 1.17 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 0.00 0.00 28 T 8.41 5.02 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 1.20 0.00 0.00 29 T 8.91 4.61 4.46 0.00 0.00 0.00 0.00 0.00 0.00 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 30 H 9.75 4.95 0.00 3.07 3.26 0.00 5.75 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 F 9.58 5.21 0.00 2.99 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 32 C 9.14 4.36 0.00 3.16 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 33 S 7.68 4.68 0.00 4.04 4.03 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 34 S 8.47 4.84 0.00 3.98 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 35 K 7.98 3.81 0.00 1.75 1.83 0.00 1.36 0.00 0.00 1.44 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.37 1.29 7.81 36 C 7.75 4.26 0.00 3.24 3.32 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.59 2.54 0.00 1.74 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 2.30 0.00 38 N 8.20 4.20 0.00 2.65 2.78 0.00 0.00 7.14 6.46 0.00 0.00 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 N 8.03 4.52 0.00 3.17 3.15 0.00 0.00 6.84 7.57 0.00 0.00 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 A 7.70 4.22 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 41 D 7.82 4.10 0.00 2.51 2.66 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 42 L 7.34 4.29 0.00 1.91 1.73 0.94 0.91 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 43 G 9.07 3.98 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 0.00 44 R 7.49 4.32 0.00 2.12 1.99 0.00 3.37 0.00 0.00 3.37 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.67 0.00 45 E 8.47 4.64 0.00 1.96 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 2.33 2.29 0.00 46 A 8.19 3.39 0.45 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 0.00 0.00 47 R 7.68 3.82 0.00 1.72 1.92 0.00 3.13 0.00 0.00 3.16 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.55 0.00 48 N 8.07 4.57 0.00 2.78 2.83 0.00 0.00 6.89 7.66 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 49 L 7.18 4.57 0.00 1.23 0.97 1.25 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 50 E 8.78 4.01 0.00 2.02 2.05 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 2.30 2.30 0.00 51 W 7.63 4.50 0.00 3.56 3.23 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 52 T 6.51 3.65 3.98 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 0.95 0.00 0.00 53 D 8.60 4.36 0.00 2.79 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 54 T 8.02 3.81 3.99 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 1.06 0.00 0.00 55 A 7.78 3.99 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.68 4.10 0.00 1.95 1.83 0.00 3.20 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.74 0.00