NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 Y 4.4566 8.1293 118.4022 57.5565 38.3740 174.4116 2 P 4.3319 0.0000 0.0000 62.2416 32.9225 176.0670 3 A 4.5204 8.5320 120.7072 50.8709 20.1241 179.0098 4 K 3.4546 7.7510 123.6917 59.0407 32.6880 176.7446 5 P 4.1264 0.0000 0.0000 62.0006 30.9901 175.8235 6 E 4.0517 8.6336 124.0873 55.6316 30.2493 176.0108 7 A 4.2319 8.4053 126.8920 50.9674 18.9488 176.1152 8 P 4.3908 0.0000 0.0000 62.7530 32.3484 176.6365 9 G 3.9004 8.3408 109.2246 45.1208 0.0000 172.5097 10 E 3.7498 9.0968 116.3662 57.4985 27.3946 174.6263 11 D 4.2303 8.6064 113.3401 53.2089 40.1411 172.5990 12 A 3.8335 7.9068 117.4038 52.9079 15.7596 177.1074 13 S 4.3551 8.3807 115.1839 58.0595 63.5810 174.6376 14 P 4.3096 0.0000 0.0000 65.6048 30.7872 178.1926 15 E 4.0951 8.0595 119.4274 59.0751 29.5661 178.1474 16 E 4.0245 8.0830 119.3668 58.8600 29.5977 178.3940 17 L 4.0314 7.5117 121.1711 58.2939 42.1501 179.1729 18 S 4.2848 8.0663 113.8405 61.2660 62.7795 176.6508 19 R 4.1136 8.0583 120.0803 59.0643 28.9502 177.7128 20 Y 4.4225 7.7442 116.7863 57.9116 38.2674 174.6390 21 Y 4.5654 8.1883 115.7251 58.0667 46.4606 177.1567 22 A 4.1112 8.3105 121.7128 55.3000 18.3637 179.6567 23 S 4.1479 8.1148 111.0909 61.2439 62.2841 175.9722 24 L 3.9051 7.3267 120.2125 57.6957 41.4281 179.2690 25 R 4.0465 7.8922 118.0156 59.7777 30.1551 177.9129 26 H 4.2000 8.0837 117.9490 59.1112 29.7743 176.5856 27 Y 3.7124 8.5247 122.2519 60.3940 38.1705 177.4387 28 L 4.0257 7.8480 121.4777 58.3509 42.0205 178.4656 29 N 4.2045 8.0059 113.7156 54.9194 38.6911 176.5614 30 L 4.0093 7.1650 121.9455 57.7176 42.4198 178.2477 31 V 3.8279 7.5200 115.3499 64.2871 31.5359 176.5640 32 T 4.5888 6.8787 110.7788 61.8705 67.7667 174.5494 33 R 4.5313 7.5114 118.1192 54.8975 30.1705 174.0069 34 Q 4.5585 7.8577 115.3266 54.0970 32.3610 174.5407 35 R 4.2215 8.5546 121.3535 56.3203 31.9308 174.1366 36 Y 4.0800 8.7916 125.8822 58.2016 39.8044 169.9586 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 Y 8.13 4.46 0.00 2.89 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 2 P 0.00 4.33 0.00 2.16 2.00 0.00 3.66 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 1.88 1.96 0.00 3 A 8.53 4.52 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 4 K 7.75 3.45 0.00 1.35 1.02 0.00 1.51 0.00 0.00 1.61 0.00 0.00 2.96 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.16 0.91 7.81 5 P 0.00 4.13 0.00 1.85 1.70 0.00 3.51 0.00 0.00 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.37 0.00 6 E 8.63 4.05 0.00 2.03 1.97 0.00 0.00 0.00 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 2.42 0.00 7 A 8.41 4.23 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.39 0.00 2.23 2.16 0.00 3.73 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.02 0.00 9 G 8.34 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 10 E 9.10 3.75 0.00 2.11 2.04 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 2.18 2.28 0.00 11 D 8.61 4.23 0.00 2.83 2.76 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 0.00 0.00 0.00 12 A 7.91 3.83 1.29 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 0.00 0.00 0.00 13 S 8.38 4.36 0.00 3.99 4.04 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 14 P 0.00 4.31 0.00 2.28 2.35 0.00 3.69 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 2.07 2.02 0.00 15 E 8.06 4.10 0.00 2.06 1.99 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 2.31 2.32 0.00 16 E 8.08 4.02 0.00 2.18 1.96 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 2.35 2.35 0.00 17 L 7.51 4.03 0.00 1.75 1.81 0.98 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 18 S 8.07 4.28 0.00 4.09 4.14 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 19 R 8.06 4.11 0.00 2.19 2.30 0.00 2.90 0.00 0.00 3.17 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.95 0.00 20 Y 7.74 4.42 0.00 3.04 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 21 Y 8.19 4.57 0.00 3.06 2.90 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 22 A 8.31 4.11 1.37 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 0.00 0.00 0.00 0.00 0.00 0.00 23 S 8.11 4.15 0.00 4.09 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 24 L 7.33 3.91 0.00 1.72 1.57 0.30 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 25 R 7.89 4.05 0.00 1.95 2.08 0.00 3.25 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.77 0.00 26 H 8.08 4.20 0.00 3.25 3.34 0.00 5.84 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 Y 8.52 3.71 0.00 3.26 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 28 L 7.85 4.03 0.00 1.78 1.87 0.93 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 29 N 8.01 4.20 0.00 2.76 2.77 0.00 0.00 6.83 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 30 L 7.17 4.01 0.00 1.35 1.52 0.60 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 31 V 7.52 3.83 2.11 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 0.96 0.00 0.00 0.97 0.00 0.00 32 T 6.88 4.59 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 33 R 7.51 4.53 0.00 1.85 1.77 0.00 3.37 0.00 0.00 3.13 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.52 0.00 34 Q 7.86 4.56 0.00 2.10 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.43 0.00 0.00 0.00 0.00 0.00 2.16 2.30 0.00 35 R 8.55 4.22 0.00 1.78 1.82 0.00 3.67 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 36 Y 8.79 4.08 0.00 3.06 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00