NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.4455 8.2644 123.5827 51.4718 21.2505 176.0734 3 K 4.3336 7.4365 121.5937 55.2931 33.8367 174.1774 4 H 4.0515 10.5398 112.5844 58.1901 28.4002 174.6569 5 P 4.3598 0.0000 0.0000 63.4217 32.5015 175.9522 6 V 4.4868 7.9549 120.9627 60.1440 34.7129 172.7500 7 P 4.2074 0.0000 0.0000 63.4123 31.4536 176.2929 8 K 4.3304 8.5314 122.6778 56.9492 32.8834 176.2069 9 K 4.5559 7.4136 115.4284 55.1340 35.9392 175.2690 10 K 4.0172 8.5451 124.2350 56.5324 32.6882 176.4911 11 T 4.1414 8.3636 116.9244 60.8043 69.7162 174.5605 12 S 4.2026 8.6351 120.4152 58.2409 63.7658 175.3106 13 K 3.7920 8.9188 122.5739 60.3306 31.6846 177.8412 14 A 4.1801 8.1681 121.7121 53.5989 17.9800 178.5368 15 R 4.0872 7.7822 121.9705 58.4984 30.9606 178.9252 16 R 4.0114 8.2232 118.8530 59.6652 30.0112 177.9059 17 D 4.3258 8.1310 117.9115 57.4287 40.7876 178.4751 18 A 3.8535 8.4967 121.5216 55.6801 18.0410 179.7144 19 R 3.8679 7.6764 115.2197 58.8899 30.3275 177.9815 20 R 4.1991 8.9822 117.7543 56.2381 30.1451 178.1270 21 S 4.0662 7.2720 115.1651 61.7588 62.7021 174.9922 22 H 4.7833 7.4410 116.3192 55.8834 28.4739 175.6378 23 H 4.5703 9.0560 120.1140 57.2234 29.1391 175.8481 24 A 3.8069 7.9804 120.6681 52.0237 18.4259 177.0377 25 L 4.1989 8.3883 124.5569 54.9672 43.0041 175.7023 26 T 4.5209 8.0882 116.2425 58.9613 69.0907 171.7753 27 P 4.2180 0.0000 0.0000 62.4970 31.3930 174.2083 28 P 4.3949 0.0000 0.0000 63.0166 31.6333 175.5534 29 T 4.5011 8.3031 108.4531 60.2742 70.3357 173.1571 30 L 4.8856 8.4519 125.5391 53.1688 45.1716 175.8522 31 V 4.4071 8.8845 112.5851 59.7465 36.1675 174.8811 32 P 3.9811 0.0000 0.0000 65.2519 31.5335 173.3019 33 C 4.0812 8.0855 122.6020 58.2226 33.9838 169.9110 34 P 4.5412 0.0000 0.0000 63.9518 29.3139 178.6440 35 E 3.1065 8.1163 108.9442 58.6058 31.0080 176.4623 36 C 4.4175 7.9998 117.2108 59.7701 29.5005 174.2057 37 K 4.3141 8.4917 121.8738 57.3737 32.8429 177.2847 38 A 4.5731 7.5323 125.5940 52.6571 20.6090 177.1438 39 M 5.1968 8.2573 112.8718 54.2605 36.0361 175.3007 40 K 4.7746 8.3033 118.1336 54.6025 37.2923 173.7174 41 P 5.0262 0.0000 0.0000 60.9322 32.5605 174.1369 42 P 4.2346 0.0000 0.0000 63.7783 32.1750 175.3876 43 H 4.1719 8.6569 116.2835 57.2883 26.4113 175.0150 44 T 4.4914 7.7516 112.5419 61.7675 72.2326 174.5793 45 V 3.8204 8.0296 124.8809 61.5568 31.1422 174.3867 46 C 4.5144 8.1953 128.1274 57.0064 32.6584 171.6627 47 P 4.7971 0.0000 0.0000 62.7418 27.6150 174.1964 48 E 4.8126 7.3822 125.3269 57.0758 37.4300 176.0584 49 C 4.3943 8.1646 118.8955 60.0085 30.6089 175.0399 50 G 4.0169 7.9885 105.4080 45.1952 0.0000 171.1231 51 Y 4.5924 7.8770 125.6081 55.9207 41.5231 173.0057 52 Y 4.5991 6.6433 116.4084 56.3268 39.7650 176.3606 53 A 3.9779 9.2302 126.0644 51.9079 17.1795 177.5443 54 G 4.2010 7.3635 102.7398 43.0228 0.0000 173.9862 55 R 4.3111 8.3317 121.8089 57.1949 32.2923 175.6200 56 K 4.4214 7.4820 123.0933 57.7952 37.5379 176.5502 57 V 3.8464 9.3275 112.4423 61.4112 29.8897 177.0733 58 L 4.6833 8.7353 120.9494 54.1394 46.2950 174.6005 59 E 4.6596 8.0395 118.9328 55.9029 32.3392 175.2465 60 V 3.9262 8.0159 117.7466 63.7378 31.4875 171.9463 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 2 A 8.26 4.45 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 0.00 0.00 0.00 0.00 0.00 3 K 7.44 4.33 0.00 1.72 1.34 0.00 1.68 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.28 1.53 7.81 4 H 10.54 4.05 0.00 3.17 3.06 0.00 5.78 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 P 0.00 4.36 0.00 2.04 1.99 0.00 3.67 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.05 0.00 6 V 7.95 4.49 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 0.82 0.00 0.00 0.98 0.00 0.00 7 P 0.00 4.21 0.00 2.08 2.01 0.00 3.72 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 2.04 2.10 0.00 8 K 8.53 4.33 0.00 1.69 1.81 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.09 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.37 1.51 7.81 9 K 7.41 4.56 0.00 1.74 1.64 0.00 1.82 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.35 1.36 7.81 10 K 8.55 4.02 0.00 1.71 1.72 0.00 1.77 0.00 0.00 1.76 0.00 0.00 2.83 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.42 1.43 7.81 11 T 8.36 4.14 4.24 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 1.21 0.00 0.00 12 S 8.64 4.20 0.00 4.02 4.05 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 13 K 8.92 3.79 0.00 1.81 1.93 0.00 1.66 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.54 1.54 7.81 14 A 8.17 4.18 1.26 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 0.00 0.00 0.00 15 R 7.78 4.09 0.00 1.76 2.00 0.00 3.27 0.00 0.00 3.15 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 16 R 8.22 4.01 0.00 1.98 2.08 0.00 3.16 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 17 D 8.13 4.33 0.00 2.87 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 18 A 8.50 3.85 1.32 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 0.00 0.00 19 R 7.68 3.87 0.00 1.99 2.15 0.00 3.29 0.00 0.00 3.24 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 20 R 8.98 4.20 0.00 1.82 2.12 0.00 3.25 0.00 0.00 3.28 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.88 0.00 21 S 7.27 4.07 0.00 3.82 3.92 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 0.00 0.00 0.00 22 H 7.44 4.78 0.00 3.11 3.31 0.00 5.69 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 H 9.06 4.57 0.00 3.17 3.33 0.00 5.70 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 A 7.98 3.81 1.26 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 0.00 0.00 0.00 25 L 8.39 4.20 0.00 1.63 1.59 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 26 T 8.09 4.52 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 1.22 0.00 0.00 27 P 0.00 4.22 0.00 2.22 2.08 0.00 3.83 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.99 0.00 28 P 0.00 4.39 0.00 2.20 2.12 0.00 3.71 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 29 T 8.30 4.50 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 1.22 0.00 0.00 30 L 8.45 4.89 0.00 1.53 1.70 0.93 0.96 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 31 V 8.88 4.41 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 0.89 0.00 0.00 0.97 0.00 0.00 32 P 0.00 3.98 0.00 2.05 2.09 0.00 3.74 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 2.04 2.13 0.00 33 C 8.09 4.08 0.00 3.14 3.02 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 0.00 0.00 0.00 34 P 0.00 4.54 0.00 2.25 1.45 0.00 3.89 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.07 0.00 35 E 8.12 3.11 0.00 2.03 1.84 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 2.35 2.37 0.00 36 C 8.00 4.42 0.00 3.00 2.85 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 37 K 8.49 4.31 0.00 1.87 1.90 0.00 1.57 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.44 7.81 38 A 7.53 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 39 M 8.26 5.20 0.00 1.86 1.93 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 2.49 2.48 0.00 40 K 8.30 4.77 0.00 1.74 1.65 0.00 1.69 0.00 0.00 1.80 0.00 0.00 3.18 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.40 7.81 41 P 0.00 5.03 0.00 2.09 2.05 0.00 3.40 0.00 0.00 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.84 0.00 42 P 0.00 4.23 0.00 2.07 2.06 0.00 3.81 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 2.07 2.16 0.00 43 H 8.66 4.17 0.00 3.31 3.41 0.00 5.64 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 T 7.75 4.49 4.29 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 0.00 0.00 0.00 1.18 0.00 0.00 45 V 8.03 3.82 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 0.54 0.00 0.00 0.26 0.00 0.00 46 C 8.20 4.51 0.00 2.98 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.80 0.00 2.20 2.06 0.00 3.84 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.97 0.00 48 E 7.38 4.81 0.00 1.94 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 2.22 2.31 0.00 49 C 8.16 4.39 0.00 2.98 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 50 G 7.99 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 51 Y 7.88 4.59 0.00 2.52 2.52 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 0.00 52 Y 6.64 4.60 0.00 3.17 3.04 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 0.00 53 A 9.23 3.98 1.55 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 0.00 0.00 0.00 54 G 7.36 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.33 4.31 0.00 1.89 1.84 0.00 3.28 0.00 0.00 3.39 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.66 0.00 56 K 7.48 4.42 0.00 1.81 0.89 0.00 1.50 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.36 7.81 57 V 9.33 3.85 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 0.71 0.00 0.00 0.93 0.00 0.00 58 L 8.74 4.68 0.00 1.56 1.51 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 59 E 8.04 4.66 0.00 2.04 1.90 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 2.20 2.30 0.00 60 V 8.02 3.93 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 0.69 0.00 0.00 0.94 0.00 0.00