NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 19 E 4.3359 8.4293 121.4631 55.8344 31.2730 176.0096 20 I 4.4240 7.5771 107.4655 60.4244 39.3425 172.5259 21 D 5.1035 7.8080 119.8537 52.8491 44.6729 176.0834 22 Y 4.4886 8.4394 121.2758 58.9173 39.0066 177.8172 23 K 3.7508 6.7914 118.6372 58.2356 32.6762 176.8281 24 D 4.6098 7.5101 120.7364 52.4196 39.9065 177.0201 25 I 3.7427 7.5515 115.2623 63.9265 38.3919 178.8614 26 A 3.8649 7.7965 123.0376 55.7864 18.2667 179.7610 27 T 4.1986 8.7409 107.7881 64.2400 68.0540 175.3390 28 L 4.7404 8.0131 123.5500 55.7805 44.0474 178.7090 29 K 3.8787 7.7291 116.5355 58.1273 32.0205 177.0652 30 N 4.4898 7.6485 114.9842 53.5459 38.0393 175.2724 31 Y 4.8772 8.4624 117.2511 57.5168 38.2197 174.6580 32 I 4.7729 7.4048 120.4699 59.3572 40.3294 175.7119 33 T 4.1973 8.3023 115.8402 61.5413 69.3988 173.6210 34 E 4.4648 8.5091 118.7396 57.1790 29.2935 177.4165 35 S 4.6164 8.3018 112.6868 57.9650 64.6406 175.0809 36 G 4.3216 8.8747 113.5487 46.4185 0.0000 175.4147 37 K 4.0739 7.5850 118.2782 56.4581 33.2023 176.9886 38 I 4.5146 7.9337 114.2433 60.5832 39.7912 174.7344 39 V 4.5853 7.6954 114.0249 58.9364 34.2157 174.5868 40 P 4.5410 0.0000 0.0000 62.8706 32.4093 177.5674 41 S 4.1965 9.0508 115.4796 59.7372 63.7714 176.7916 42 R 3.8652 7.7399 119.0543 59.4664 29.3685 178.4271 43 I 4.2904 7.7166 108.9005 60.8161 37.3100 176.0017 44 T 4.5601 7.6390 109.4069 60.2051 70.0640 176.3894 45 G 4.0351 7.8957 112.0794 46.4271 0.0000 174.2467 46 T 3.8369 8.0404 109.1846 61.9107 68.7911 174.5616 47 R 3.9954 8.6329 124.9275 55.8267 31.9961 177.1640 48 A 3.9305 8.5239 122.7360 55.6200 17.8307 179.8247 49 K 3.6651 8.1469 117.2672 60.1932 31.9509 178.2320 50 Y 4.3646 7.7294 115.9994 61.2864 38.0623 177.5468 51 Q 3.8873 8.5606 120.8350 59.3781 29.0123 178.5655 52 R 3.8938 8.7769 119.5432 59.6392 29.9800 178.8989 53 Q 4.0832 7.6353 117.1322 59.1426 29.3370 177.4054 54 L 3.8950 8.3941 121.7416 57.8469 41.9674 178.4836 55 A 3.9624 8.1538 120.2016 55.5578 18.4053 179.4889 56 R 3.8584 7.6000 114.6044 59.6247 30.1122 179.0375 57 A 4.0529 8.0840 119.9247 55.4276 18.2488 179.6537 58 I 3.6362 7.7639 116.3788 64.9317 37.3279 178.1230 59 K 3.8893 8.8663 120.2224 58.8670 31.9701 179.1889 60 R 4.3425 8.4862 116.1175 59.9114 29.2964 178.6743 61 A 4.1173 8.3136 121.3303 55.1324 18.4428 179.8420 62 R 4.1346 7.7693 118.1349 58.8920 29.6920 178.7855 63 Y 4.4483 7.3013 115.4646 60.0108 37.8178 177.1210 64 L 4.6139 7.6303 117.8779 53.5376 41.9508 176.0237 65 S 3.7796 7.7673 111.2810 59.2006 61.4653 173.4595 66 L 4.1844 7.7247 116.0650 55.7132 41.8175 176.8574 67 L 4.5875 7.3305 118.3301 52.6778 45.9728 172.9471 68 P 4.7810 0.0000 0.0000 62.2529 32.4434 176.1256 69 Y 4.0093 8.8103 118.8476 60.9968 38.0115 176.0637 70 T 5.1742 7.3842 106.8710 60.6901 71.4463 174.1659 71 D 4.5483 8.5227 122.8006 56.3523 41.2848 177.8040 72 R 4.0377 7.9165 118.7263 59.1092 30.4097 175.5112 73 H 4.3619 7.8370 120.4830 56.4792 30.0794 172.5745 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 19 E 8.43 4.34 0.00 1.84 1.81 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 1.80 2.21 0.00 20 I 7.58 4.42 1.96 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.87 0.91 0.00 0.00 21 D 7.81 5.10 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 22 Y 8.44 4.49 0.00 3.35 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 23 K 6.79 3.75 0.00 1.54 1.67 0.00 1.43 0.00 0.00 1.35 0.00 0.00 2.23 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.09 0.21 7.81 24 D 7.51 4.61 0.00 2.66 2.54 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 0.00 0.00 0.00 0.00 25 I 7.55 3.74 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.51 0.91 0.00 0.00 26 A 7.80 3.86 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 27 T 8.74 4.20 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 28 L 8.01 4.74 0.00 1.83 1.70 0.97 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 29 K 7.73 3.88 0.00 1.63 1.83 0.00 1.66 0.00 0.00 1.73 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.67 7.81 30 N 7.65 4.49 0.00 2.36 2.68 0.00 0.00 6.00 7.55 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 31 Y 8.46 4.88 0.00 3.10 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 32 I 7.40 4.77 1.87 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.79 0.99 0.00 0.00 33 T 8.30 4.20 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 1.26 0.00 0.00 34 E 8.51 4.46 0.00 1.96 2.00 0.00 0.00 0.00 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 2.38 0.00 35 S 8.30 4.62 0.00 3.83 3.79 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 0.00 0.00 0.00 36 G 8.87 4.32 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 0.00 37 K 7.58 4.07 0.00 1.96 1.97 0.00 1.51 0.00 0.00 1.88 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.44 7.81 38 I 7.93 4.51 1.99 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 1.35 0.86 0.90 0.00 0.00 39 V 7.70 4.59 2.13 0.00 0.00 0.00 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 1.07 0.00 0.00 40 P 0.00 4.54 0.00 2.08 1.99 0.00 3.61 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.11 0.00 41 S 9.05 4.20 0.00 4.28 4.19 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.74 3.87 0.00 1.86 2.23 0.00 2.78 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.58 0.00 43 I 7.72 4.29 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.76 0.93 0.00 0.00 44 T 7.64 4.56 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 45 G 7.90 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 0.00 0.00 0.00 46 T 8.04 3.84 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 1.27 0.00 0.00 47 R 8.63 4.00 0.00 1.69 1.77 0.00 2.43 0.00 0.00 2.66 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.26 0.00 48 A 8.52 3.93 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 49 K 8.15 3.67 0.00 1.78 1.75 0.00 1.69 0.00 0.00 1.75 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.57 1.58 7.81 50 Y 7.73 4.36 0.00 3.14 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 51 Q 8.56 3.89 0.00 2.19 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.78 0.00 0.00 0.00 0.00 0.00 2.34 2.43 0.00 52 R 8.78 3.89 0.00 2.09 1.98 0.00 3.19 0.00 0.00 3.10 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.76 0.00 53 Q 7.64 4.08 0.00 2.11 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.93 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 54 L 8.39 3.89 0.00 1.84 1.66 0.75 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 55 A 8.15 3.96 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.60 3.86 0.00 2.12 2.04 0.00 3.15 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.89 0.00 57 A 8.08 4.05 1.46 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 0.00 0.00 0.00 58 I 7.76 3.64 1.97 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.79 0.87 0.00 0.00 59 K 8.87 3.89 0.00 1.99 1.93 0.00 1.72 0.00 0.00 1.78 0.00 0.00 3.04 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.54 7.81 60 R 8.49 4.34 0.00 1.85 2.19 0.00 2.70 0.00 0.00 2.37 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.69 0.00 61 A 8.31 4.12 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 R 7.77 4.13 0.00 0.86 0.66 0.00 2.40 0.00 0.00 2.25 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.49 0.00 63 Y 7.30 4.45 0.00 3.19 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 L 7.63 4.61 0.00 1.69 1.77 0.97 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 65 S 7.77 3.78 0.00 4.09 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 66 L 7.72 4.18 0.00 1.88 1.74 1.08 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 67 L 7.33 4.59 0.00 1.43 1.40 0.91 0.87 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 68 P 0.00 4.78 0.00 2.38 2.06 0.00 3.74 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 1.96 1.98 0.00 69 Y 8.81 4.01 0.00 3.05 3.05 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 70 T 7.38 5.17 4.28 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 1.27 0.00 0.00 71 D 8.52 4.55 0.00 2.78 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 72 R 7.92 4.04 0.00 1.79 2.00 0.00 3.26 0.00 0.00 3.16 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 73 H 7.84 4.36 0.00 3.16 3.08 0.00 5.84 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00