NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 I 4.1208 8.0093 120.7867 61.0444 39.1710 174.5200 2 T 4.4844 8.2605 116.1619 59.3678 71.1968 171.6452 3 A 4.7429 8.8296 125.5997 49.9938 23.3938 177.4480 4 K 4.1535 8.4362 118.9797 55.5919 32.7280 175.7056 5 P 4.3743 0.0000 0.0000 61.9984 31.9885 175.9993 6 A 3.9405 8.5568 121.6429 53.0345 18.5359 178.2910 7 K 4.2053 8.7611 122.6592 58.9930 32.7178 177.7468 8 T 4.6108 7.3317 107.1125 58.3144 68.3179 171.3321 9 P 4.2189 0.0000 0.0000 64.0308 32.3157 176.6188 10 T 4.9255 8.3627 117.5765 60.7371 69.2608 175.0177 11 S 4.3931 8.2529 122.0164 57.1862 65.2110 172.8352 12 P 4.1905 0.0000 0.0000 65.8624 31.0392 178.8727 13 K 3.9110 7.9231 117.6142 59.5996 32.3097 178.6048 14 E 3.9919 8.2482 118.8632 59.5549 29.3541 179.4070 15 Q 3.9989 8.5306 118.2846 58.7872 28.6980 178.5632 16 A 3.9880 8.2561 122.0943 55.1459 18.3534 179.8701 17 I 3.7312 7.7802 118.1240 64.4235 37.1714 178.6487 18 G 3.7416 8.2729 106.9204 47.8888 0.0000 175.4019 19 L 3.9051 8.3481 123.2133 57.9177 42.1088 179.1518 20 S 4.0918 8.0695 115.1826 61.6862 62.7714 176.9728 21 V 3.6842 8.3502 121.3415 66.0098 30.8429 178.3114 22 T 4.0590 8.3366 115.9341 66.7680 68.4116 176.5449 23 F 4.1963 9.0071 120.1078 60.7797 38.9257 177.8230 24 L 4.1884 8.4512 118.8487 57.7412 41.1605 179.7143 25 S 4.1851 8.2810 113.5647 61.1484 62.9290 176.1888 26 F 4.2844 8.0013 119.4934 60.0349 39.2318 177.5166 27 L 4.3287 8.2453 118.4808 57.2581 41.5322 179.4754 28 L 4.0628 8.2057 119.1051 57.3115 41.6170 177.7090 29 P 4.3001 0.0000 0.0000 65.5924 31.4438 178.4594 30 A 4.2091 8.1988 119.2252 55.2442 18.2653 179.6468 31 G 3.7134 8.4131 104.2469 47.6899 0.0000 175.5884 32 W 4.1809 8.5308 130.2220 60.2574 30.9397 177.9494 33 V 3.9235 8.4090 118.1694 66.2241 31.1103 178.0376 34 L 4.0663 8.6045 119.1355 57.8817 41.1829 178.7735 35 Y 3.9099 8.2048 119.2100 60.1987 38.8025 177.0314 36 H 4.4240 7.2625 114.5072 55.2036 29.0234 176.4461 37 L 3.8827 7.2261 123.5272 58.0847 40.9747 178.8802 38 D 4.2410 7.7820 117.1497 57.4898 40.8515 177.8171 39 N 3.9903 7.7121 115.4782 56.4106 38.7195 176.5896 40 Y 4.5277 7.0497 117.8021 61.1529 37.9408 177.5755 41 K 3.8569 7.8401 118.0451 58.6306 33.6879 177.6324 42 K 4.4883 7.3609 119.0835 55.0721 31.3491 176.3727 43 S 4.3997 8.3850 119.2707 58.7075 62.8240 174.7363 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 I 8.01 4.12 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.35 0.91 0.00 0.00 2 T 8.26 4.48 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 3 A 8.83 4.74 1.20 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 4 K 8.44 4.15 0.00 1.76 1.76 0.00 1.76 0.00 0.00 1.76 0.00 0.00 2.86 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.43 7.81 5 P 0.00 4.37 0.00 2.17 2.05 0.00 3.80 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 6 A 8.56 3.94 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 7 K 8.76 4.21 0.00 1.76 1.88 0.00 1.70 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.43 7.81 8 T 7.33 4.61 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 9 P 0.00 4.22 0.00 2.06 2.04 0.00 3.62 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.24 0.00 10 T 8.36 4.93 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 11 S 8.25 4.39 0.00 4.04 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.19 0.00 2.16 2.15 0.00 3.59 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 2.11 2.15 0.00 13 K 7.92 3.91 0.00 1.78 1.79 0.00 1.73 0.00 0.00 1.81 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.46 7.81 14 E 8.25 3.99 0.00 2.23 1.98 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 2.33 2.35 0.00 15 Q 8.53 4.00 0.00 2.20 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.37 2.53 0.00 16 A 8.26 3.99 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 17 I 7.78 3.73 2.02 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.66 0.91 0.00 0.00 18 G 8.27 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.35 3.91 0.00 1.66 1.70 0.64 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 20 S 8.07 4.09 0.00 3.89 3.89 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 21 V 8.35 3.68 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 1.07 0.00 0.00 1.02 0.00 0.00 22 T 8.34 4.06 4.67 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 1.46 0.00 0.00 23 F 9.01 4.20 0.00 3.03 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 24 L 8.45 4.19 0.00 1.81 1.79 0.96 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 25 S 8.28 4.19 0.00 4.00 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 26 F 8.00 4.28 0.00 3.11 3.15 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 27 L 8.25 4.33 0.00 1.81 1.78 1.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 28 L 8.21 4.06 0.00 1.85 1.76 0.95 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 29 P 0.00 4.30 0.00 2.19 2.10 0.00 3.81 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.15 0.00 30 A 8.20 4.21 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.41 3.71 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 0.00 0.00 0.00 32 W 8.53 4.18 0.00 3.38 3.52 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 33 V 8.41 3.92 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 1.32 0.00 0.00 34 L 8.60 4.07 0.00 2.05 1.74 0.98 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 35 Y 8.20 3.91 0.00 2.93 2.92 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 36 H 7.26 4.42 0.00 2.53 2.26 0.00 5.88 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 L 7.23 3.88 0.00 1.69 1.66 0.93 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 38 D 7.78 4.24 0.00 2.59 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 7.71 3.99 0.00 2.32 2.71 0.00 0.00 6.93 7.46 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 40 Y 7.05 4.53 0.00 3.14 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 41 K 7.84 3.86 0.00 1.73 1.89 0.00 1.66 0.00 0.00 1.60 0.00 0.00 2.97 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.52 1.70 7.81 42 K 7.36 4.49 0.00 1.52 1.70 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.12 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.35 1.41 7.81 43 S 8.38 4.40 0.00 4.20 3.81 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