NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.4301 8.2493 123.5821 51.8700 21.6478 178.0184 2 K 3.8808 9.3016 119.6633 55.2080 31.9996 176.9544 3 T 4.4796 9.4163 102.1137 60.3511 73.4723 172.7604 4 I 3.1341 7.8161 130.4092 60.3201 37.1790 172.1148 5 K 5.0209 8.3851 123.9119 54.7894 34.8146 175.7918 6 I 4.7422 8.7957 125.2158 60.3025 41.0761 174.5872 7 T 4.4299 7.9211 116.0439 63.0278 73.0368 174.0100 8 Q 3.5909 9.0068 128.7227 59.9323 28.8163 178.1540 9 T 3.6199 8.3959 118.2440 63.2298 66.7753 172.0941 10 R 4.6406 6.9142 118.3919 53.6671 33.1235 175.9605 11 S 4.0326 8.6588 115.6685 58.9127 63.2996 174.9391 12 A 4.5923 8.2715 131.4219 51.0880 17.7771 175.9943 13 I 4.1304 7.6280 122.0784 62.6009 38.5225 178.3959 14 G 3.9069 7.8702 105.4270 45.6714 0.0000 174.1317 15 R 4.1169 7.9353 118.7925 56.2404 30.7639 176.4298 16 L 4.1372 8.5355 120.6047 54.5700 42.5806 176.5811 17 P 4.2476 0.0000 0.0000 65.9319 31.2700 179.1793 18 K 4.1037 8.0236 116.1828 59.2513 31.8037 178.4562 19 H 4.6160 8.3638 117.5751 58.3116 28.9898 177.4171 20 K 3.7131 8.2429 119.5734 59.6191 31.9751 179.1253 21 A 3.9894 8.0351 121.1913 55.3798 18.3987 179.7542 22 T 3.8264 7.4657 106.9905 64.9109 68.5746 176.0873 23 L 3.8867 8.4280 122.7733 57.8395 42.1855 178.6478 24 L 4.1500 7.9881 120.1377 58.2561 41.9523 179.1155 25 G 3.8063 7.7143 103.7978 47.6296 0.0000 174.4785 26 L 4.3565 8.0131 119.0656 54.1373 41.6893 178.2429 27 G 3.8904 8.4186 107.1566 45.6324 0.0000 173.9073 28 L 3.7976 7.3596 119.1406 54.4752 41.7678 176.0008 29 R 4.1228 8.2675 125.2795 57.5591 30.5947 181.7920 30 R 4.4386 8.4659 126.7332 56.6633 31.0116 176.6475 31 I 4.2273 8.5136 111.7724 63.8078 39.2156 177.9755 32 G 3.7455 7.9776 106.7681 45.2717 0.0000 173.7279 33 H 3.4539 7.1696 117.2176 55.4367 30.0017 171.0714 34 T 4.0867 8.4704 127.9552 63.1165 67.8600 171.6199 35 V 4.6598 7.9287 124.4734 59.8032 35.6437 173.6207 36 E 5.0700 8.7323 121.8382 54.2004 31.7756 172.8050 37 R 4.6583 9.1698 125.0241 56.5013 32.3309 177.9202 38 E 4.7388 9.1004 116.4763 55.5375 33.5490 173.5776 39 D 4.9337 8.4274 116.7603 54.6044 41.7364 176.5310 40 T 4.2304 7.7265 113.9513 61.9437 70.3360 173.0709 41 P 4.0881 0.0000 0.0000 66.3502 31.5543 178.0472 42 A 4.0009 8.1189 118.6369 55.4817 18.2102 179.1149 43 I 3.5701 7.6054 114.8142 64.0709 37.9269 178.2749 44 R 4.0647 8.9035 119.7835 58.7289 29.7026 178.5841 45 G 3.5436 8.1535 105.8307 47.7774 0.0000 175.7036 46 M 4.0831 8.0002 119.6751 58.3215 32.2410 178.1897 47 I 3.7406 7.8326 119.6610 64.7101 37.2506 177.5370 48 N 4.2042 7.8474 116.8276 56.9844 38.4731 176.4640 49 A 4.1113 7.6021 120.6222 54.5717 18.6417 179.0227 50 V 4.4341 7.7370 109.9868 60.8560 32.5172 178.2494 51 S 4.1444 8.3297 117.0312 61.5900 62.6005 175.9118 52 F 4.2947 8.6293 114.8347 59.3501 36.8189 175.6815 53 M 3.3639 5.8600 121.0946 57.4444 32.1561 178.0207 54 V 4.8207 7.6311 114.7743 60.9099 33.6600 175.7967 55 K 4.3194 8.8265 122.6728 55.2799 34.4764 175.0450 56 V 4.2800 8.3573 127.9177 61.9456 32.5169 175.7338 57 E 4.9027 8.6045 127.3424 55.4341 29.4364 176.0056 58 E 4.1049 8.2130 121.9827 56.7342 29.6015 176.7109 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 A 8.25 4.43 1.23 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 0.00 0.00 0.00 2 K 9.30 3.88 0.00 1.96 1.55 0.00 1.54 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.40 1.43 7.81 3 T 9.42 4.48 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 1.21 0.00 0.00 4 I 7.82 3.13 1.94 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 1.37 0.88 0.91 0.00 0.00 5 K 8.39 5.02 0.00 1.73 1.69 0.00 1.51 0.00 0.00 1.81 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.43 1.49 7.81 6 I 8.80 4.74 1.84 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 1.40 1.00 0.87 0.00 0.00 7 T 7.92 4.43 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 1.20 0.00 0.00 8 Q 9.01 3.59 0.00 2.20 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 5.61 0.00 0.00 0.00 0.00 0.00 2.42 2.57 0.00 9 T 8.40 3.62 4.45 0.00 0.00 0.00 0.00 0.00 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 10 R 6.91 4.64 0.00 1.45 1.75 0.00 3.21 0.00 0.00 3.18 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.48 0.00 11 S 8.66 4.03 0.00 3.82 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 12 A 8.27 4.59 1.23 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 0.00 0.00 0.00 13 I 7.63 4.13 1.89 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 1.24 0.64 0.92 0.00 0.00 14 G 7.87 3.91 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 0.00 0.00 0.00 15 R 7.94 4.12 0.00 1.88 2.10 0.00 3.36 0.00 0.00 3.24 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 2.01 0.00 16 L 8.54 4.14 0.00 1.46 1.53 0.90 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 17 P 0.00 4.25 0.00 2.15 2.11 0.00 3.58 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.19 0.00 18 K 8.02 4.10 0.00 1.70 1.86 0.00 1.68 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.52 1.46 7.81 19 H 8.36 4.62 0.00 3.43 3.33 0.00 5.65 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 K 8.24 3.71 0.00 1.81 1.91 0.00 1.68 0.00 0.00 1.84 0.00 0.00 3.05 0.00 0.00 3.32 0.00 0.00 0.00 0.00 1.57 1.75 7.81 21 A 8.04 3.99 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.47 3.83 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 1.36 0.00 0.00 23 L 8.43 3.89 0.00 1.78 1.82 0.98 1.12 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 24 L 7.99 4.15 0.00 1.81 1.86 0.92 0.94 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 25 G 7.71 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 0.00 0.00 0.00 26 L 8.01 4.36 0.00 1.83 1.66 0.89 0.93 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 27 G 8.42 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 0.00 0.00 0.00 28 L 7.36 3.80 0.00 1.61 1.71 0.85 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 29 R 8.27 4.12 0.00 1.93 1.78 0.00 3.25 0.00 0.00 3.25 7.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.83 0.00 30 R 8.47 4.44 0.00 1.79 1.75 0.00 3.22 0.00 0.00 3.31 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 31 I 8.51 4.23 1.86 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 1.34 0.71 0.90 0.00 0.00 32 G 7.98 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.17 3.45 0.00 3.17 3.16 0.00 5.86 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 T 8.47 4.09 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 1.32 0.00 0.00 35 V 7.93 4.66 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 0.78 0.00 0.00 0.95 0.00 0.00 36 E 8.73 5.07 0.00 1.98 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 2.19 2.27 0.00 37 R 9.17 4.66 0.00 1.91 0.94 0.00 3.16 0.00 0.00 3.16 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.60 0.00 38 E 9.10 4.74 0.00 1.91 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 2.21 2.35 0.00 39 D 8.43 4.93 0.00 2.60 2.71 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 40 T 7.73 4.23 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 1.23 0.00 0.00 41 P 0.00 4.09 0.00 2.01 2.15 0.00 3.69 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 2.04 2.18 0.00 42 A 8.12 4.00 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 43 I 7.61 3.57 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 1.74 1.19 0.97 0.00 0.00 44 R 8.90 4.06 0.00 2.00 2.02 0.00 3.18 0.00 0.00 3.17 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 45 G 8.15 3.54 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 0.00 0.00 0.00 46 M 8.00 4.08 0.00 2.00 2.26 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.65 0.00 47 I 7.83 3.74 2.01 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 1.71 0.86 0.90 0.00 0.00 48 N 7.85 4.20 0.00 2.62 2.99 0.00 0.00 7.21 7.87 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 49 A 7.60 4.11 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 50 V 7.74 4.43 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 0.70 0.00 0.00 0.97 0.00 0.00 51 S 8.33 4.14 0.00 4.02 4.12 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 52 F 8.63 4.29 0.00 3.21 3.18 0.00 0.00 0.00 0.00 0.00 0.00 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 M 5.86 3.36 0.00 1.70 1.27 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 2.12 0.00 54 V 7.63 4.82 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 0.36 0.00 0.00 0.91 0.00 0.00 55 K 8.83 4.32 0.00 1.74 1.60 0.00 1.62 0.00 0.00 1.56 0.00 0.00 2.75 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.32 1.37 7.81 56 V 8.36 4.28 2.07 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 0.91 0.00 0.00 0.91 0.00 0.00 57 E 8.60 4.90 0.00 1.82 1.87 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 2.21 2.35 0.00 58 E 8.21 4.10 0.00 2.05 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.37 0.00