NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 L 4.2963 8.0427 121.1292 55.5192 41.2557 174.7652 2 K 4.2410 8.5743 123.5232 55.4540 34.2789 173.1971 3 C 5.2128 9.4590 126.4484 55.1430 43.4995 173.2369 4 K 4.7593 8.3714 121.8126 55.1853 33.9392 175.7762 5 K 4.9077 7.8905 120.9991 53.8591 35.4862 175.1691 6 L 4.4955 8.2563 120.1508 53.2276 42.9267 176.9406 7 V 3.8864 8.3888 122.7916 62.5807 31.9121 174.1302 8 P 4.5047 0.0000 0.0000 63.2847 31.5358 176.2870 9 L 4.1168 7.7377 122.2684 55.4649 43.2444 176.1114 10 F 4.8813 8.6522 133.1883 58.3657 39.4560 174.2132 11 S 4.6377 7.8438 114.2482 57.8636 64.5629 173.9565 12 K 4.5522 8.3520 120.4046 55.8457 36.1006 174.2940 13 T 4.6688 8.4387 122.5892 62.6757 69.4400 174.7739 14 C 4.1176 8.6052 124.6387 56.8638 41.2075 172.7266 15 P 4.4833 0.0000 0.0000 61.2807 32.1049 175.2094 16 A 4.0971 8.3679 120.5924 53.6484 18.5666 176.4185 17 G 4.2237 8.9323 114.0696 45.6262 0.0000 174.3791 18 K 4.7747 7.8907 118.2914 54.5487 34.3873 175.6432 19 N 5.1515 8.7104 117.0502 52.7135 41.3174 173.6739 20 L 4.9749 8.1978 118.3396 53.2184 46.7624 174.4853 21 C 5.4656 8.8139 118.0532 55.4394 37.2614 172.6319 22 Y 5.4153 8.5496 121.1640 55.0590 40.9707 175.0031 23 K 4.7217 9.0332 120.5734 55.8606 35.8120 174.4212 24 M 4.5526 9.0736 126.2014 53.8411 34.3359 174.8072 25 F 5.2021 7.7287 119.0565 55.9975 42.7523 172.5300 26 M 4.6320 8.6375 118.4742 53.6280 33.3375 177.6426 27 V 4.1876 7.8677 124.6485 60.9712 27.7379 173.8124 28 A 4.5737 7.8147 129.2065 53.2933 26.3000 177.0307 29 A 4.6509 7.6719 120.0573 49.7127 19.0526 174.5681 30 P 4.6274 0.0000 0.0000 61.5129 30.7804 176.0944 31 H 4.6357 7.7099 117.6162 57.8576 36.1469 172.9913 32 V 4.0914 7.1339 119.1040 60.3639 31.7380 173.7946 33 P 4.6460 0.0000 0.0000 62.6382 32.5489 174.7972 34 V 4.3356 8.2736 114.7781 63.9399 33.1110 175.6808 35 K 4.8577 7.8831 118.4427 54.7262 36.7187 175.1856 36 R 4.3719 8.3555 121.5633 54.8161 34.3923 173.8008 37 G 4.0688 6.3781 111.0046 46.2767 0.0000 171.1502 38 C 5.5185 8.9293 119.7655 55.9842 37.4349 172.8610 39 I 4.5485 8.4148 118.9429 60.9374 41.1205 174.6739 40 D 4.5304 8.9188 125.5217 54.6706 40.3845 176.9060 41 V 4.3150 7.0122 117.7378 58.7880 33.3897 174.2598 42 C 4.4063 8.6771 123.9533 55.1297 43.6092 171.4838 43 P 4.4322 0.0000 0.0000 61.8733 32.1870 175.2932 44 K 4.3164 8.0624 118.9890 55.6157 33.0770 176.0015 45 S 4.6732 8.2863 119.5462 57.6115 64.1599 173.0782 46 S 4.8669 8.0858 116.1128 56.5271 65.4725 173.8143 47 L 4.1766 8.3842 118.2954 56.1198 41.4758 177.2390 48 L 4.2902 7.4326 120.2754 55.5676 43.4645 175.9783 49 V 4.4117 7.9596 117.5809 60.3155 34.6178 174.4118 50 K 4.4343 7.7186 119.8678 54.9955 35.6799 175.1816 51 Y 4.4976 8.5656 123.8850 56.3976 38.4840 174.6053 52 V 4.3101 8.6192 124.5219 61.8914 33.1648 174.2717 53 C 6.0853 9.0827 124.6040 55.1398 39.5711 171.7524 54 C 5.1056 8.4719 113.3104 53.7747 44.6178 173.7797 55 N 4.8815 8.4227 117.2717 52.3519 37.0579 174.0117 56 T 4.7287 7.2843 105.8943 60.4817 72.5273 173.5325 57 D 4.5163 8.5746 122.2841 55.4572 41.8400 176.4217 58 K 3.7303 7.9650 122.9344 57.6554 31.2301 172.3253 59 C 4.5649 7.9708 114.5853 57.1480 43.4483 173.6897 60 N 4.4558 7.9281 121.1252 52.4025 37.1683 174.5633 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 L 8.04 4.30 0.00 1.74 1.92 0.95 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 2 K 8.57 4.24 0.00 1.83 1.81 0.00 1.57 0.00 0.00 1.62 0.00 0.00 2.82 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.29 1.45 7.81 3 C 9.46 5.21 0.00 2.87 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 4 K 8.37 4.76 0.00 1.46 1.57 0.00 1.44 0.00 0.00 1.54 0.00 0.00 2.51 0.00 0.00 2.45 0.00 0.00 0.00 0.00 1.21 1.27 7.81 5 K 7.89 4.91 0.00 1.70 1.73 0.00 1.51 0.00 0.00 1.56 0.00 0.00 3.07 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.35 7.81 6 L 8.26 4.50 0.00 1.61 1.60 0.90 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 7 V 8.39 3.89 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 0.92 0.00 0.00 1.00 0.00 0.00 8 P 0.00 4.50 0.00 2.23 2.16 0.00 3.85 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 9 L 7.74 4.12 0.00 1.71 1.75 0.95 0.75 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 10 F 8.65 4.88 0.00 3.02 2.81 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.84 4.64 0.00 3.73 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 12 K 8.35 4.55 0.00 1.89 1.64 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.83 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.42 7.81 13 T 8.44 4.67 4.25 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 1.25 0.00 0.00 14 C 8.61 4.12 0.00 2.89 3.25 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 15 P 0.00 4.48 0.00 2.23 2.20 0.00 3.76 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.98 0.00 16 A 8.37 4.10 1.28 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 0.00 0.00 17 G 8.93 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 0.00 0.00 0.00 0.00 18 K 7.89 4.77 0.00 1.75 1.93 0.00 1.56 0.00 0.00 1.74 0.00 0.00 3.10 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.47 7.81 19 N 8.71 5.15 0.00 2.55 2.77 0.00 0.00 6.80 7.86 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 20 L 8.20 4.97 0.00 1.58 1.54 1.01 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 21 C 8.81 5.47 0.00 2.88 2.91 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 22 Y 8.55 5.42 0.00 3.17 3.12 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 0.00 23 K 9.03 4.72 0.00 1.78 1.92 0.00 1.25 0.00 0.00 1.59 0.00 0.00 2.70 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.69 1.56 7.81 24 M 9.07 4.55 0.00 1.95 1.11 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.87 0.00 25 F 7.73 5.20 0.00 3.03 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 26 M 8.64 4.63 0.00 2.06 2.06 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.59 0.00 27 V 7.87 4.19 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 0.79 0.00 0.00 0.98 0.00 0.00 28 A 7.81 4.57 1.28 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 0.00 0.00 29 A 7.67 4.65 1.28 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 0.00 0.00 30 P 0.00 4.63 0.00 2.11 2.07 0.00 3.77 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.97 0.00 31 H 7.71 4.64 0.00 3.04 3.23 0.00 5.71 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 V 7.13 4.09 2.10 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 0.82 0.00 0.00 0.98 0.00 0.00 33 P 0.00 4.65 0.00 2.21 2.03 0.00 3.73 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 1.95 1.88 0.00 34 V 8.27 4.34 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.97 0.00 0.00 35 K 7.88 4.86 0.00 1.87 1.85 0.00 1.79 0.00 0.00 1.88 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.49 1.50 7.81 36 R 8.36 4.37 0.00 1.55 1.61 0.00 3.10 0.00 0.00 3.32 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.55 0.00 37 G 6.38 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 38 C 8.93 5.52 0.00 2.93 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 39 I 8.41 4.55 2.06 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.02 1.07 0.00 0.00 40 D 8.92 4.53 0.00 2.80 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 41 V 7.01 4.32 2.06 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 0.75 0.00 0.00 0.91 0.00 0.00 42 C 8.68 4.41 0.00 2.99 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 43 P 0.00 4.43 0.00 1.96 1.86 0.00 3.74 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 1.44 1.54 0.00 44 K 8.06 4.32 0.00 1.72 1.71 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.39 1.45 7.81 45 S 8.29 4.67 0.00 3.92 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 46 S 8.09 4.87 0.00 3.94 3.85 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 0.00 0.00 0.00 47 L 8.38 4.18 0.00 1.65 1.75 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 48 L 7.43 4.29 0.00 1.65 1.55 0.91 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 49 V 7.96 4.41 2.03 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 0.68 0.00 0.00 0.80 0.00 0.00 50 K 7.72 4.43 0.00 0.79 0.85 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.87 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.25 1.25 7.81 51 Y 8.57 4.50 0.00 2.85 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 52 V 8.62 4.31 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 1.19 0.00 0.00 53 C 9.08 6.09 0.00 2.94 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 54 C 8.47 5.11 0.00 2.95 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 55 N 8.42 4.88 0.00 2.81 2.90 0.00 0.00 5.85 7.72 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 56 T 7.28 4.73 4.23 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 1.21 0.00 0.00 57 D 8.57 4.52 0.00 2.67 2.61 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 58 K 7.96 3.73 0.00 1.74 1.71 0.00 1.73 0.00 0.00 1.69 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.31 1.26 7.81 59 C 7.97 4.56 0.00 3.09 3.22 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 60 N 7.93 4.46 0.00 2.74 2.78 0.00 0.00 5.79 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00