NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 4.0316 8.3549 109.7370 44.1630 0.0000 174.9359 2 P 4.3930 0.0000 0.0000 62.8729 30.5809 174.3132 3 E 4.1576 9.0259 129.0843 56.8352 28.8054 174.3178 4 T 4.2912 7.5909 106.3648 61.7811 69.2148 173.2689 5 L 4.8485 8.7753 123.1887 53.3022 44.9735 174.9912 6 C 4.8626 8.3169 119.4615 54.6650 39.5813 176.0322 7 G 3.6060 8.8951 109.6814 46.8517 0.0000 176.0870 8 A 3.9967 8.7014 124.8478 54.8067 18.0180 179.2908 9 E 3.8302 8.1125 116.6350 59.5003 29.5698 178.9981 10 L 3.8244 7.4258 120.3136 58.2927 42.0904 179.3309 11 V 3.2712 7.6421 117.5272 65.8090 31.5204 177.1137 12 D 4.3185 8.5333 118.0482 57.6478 40.9110 178.5072 13 A 3.9847 8.0902 120.9632 55.0737 18.3727 179.6461 14 L 3.7181 7.7186 117.5626 57.9190 41.5517 179.6844 15 Q 4.1265 8.2603 118.2918 58.8509 28.3944 178.8931 16 F 3.9330 7.9443 120.5839 61.3005 39.6559 177.2243 17 V 3.7637 8.0790 116.8569 66.2975 31.7950 177.0070 18 C 4.4762 8.9730 116.4697 56.9026 38.8051 175.1745 19 G 3.5557 8.5106 109.2458 46.9891 0.0000 175.6698 20 D 4.5990 8.7487 123.8736 53.9275 39.6894 177.4048 21 R 3.8819 7.8654 118.9753 57.0118 30.4799 177.8499 22 G 3.8888 8.0830 107.8677 44.7381 0.0000 171.9081 23 F 5.3088 7.1454 112.1359 55.8925 40.4932 172.4159 24 Y 4.9275 8.4487 119.1358 55.7304 41.3048 174.7846 25 F 4.4891 9.1509 117.0351 57.8257 40.7979 175.2521 26 N 5.5702 8.4807 117.9068 50.8801 40.0629 175.0934 27 K 4.0075 8.4025 122.4993 57.0618 32.7155 175.1967 28 P 4.5194 0.0000 0.0000 63.2078 32.1588 175.0546 29 T 4.5660 7.9230 114.7588 61.1074 70.8011 171.8224 30 G 3.9951 8.5510 115.5635 45.1433 0.0000 173.4968 31 Y 4.2230 8.6461 118.5377 56.5554 37.9714 176.3662 *38 A 4.1382 8.0841 130.8061 55.1221 19.5022 173.3154 39 P 4.0326 0.0000 0.0000 56.7400 34.3764 176.3851 40 Q 4.0779 8.5926 118.8729 57.4772 29.4475 176.4786 41 T 4.8207 8.3659 116.8563 59.6418 71.8248 172.8434 42 G 4.4660 8.6892 113.6659 46.6812 0.0000 176.5805 43 I 3.2507 8.2031 122.6447 63.4118 37.5858 177.9220 44 V 3.2408 7.5125 118.7802 66.0444 29.9885 177.5847 45 D 4.3123 7.8034 117.9420 57.1807 40.4936 178.1079 46 E 4.4385 7.7704 117.2708 57.7879 30.1315 177.0783 47 C 4.8459 8.4295 115.4163 56.7642 42.0248 174.7263 48 C 4.5587 7.7742 118.5830 57.5035 44.1733 175.0269 49 F 4.5316 7.5932 116.4252 59.7135 38.7758 175.1215 50 R 4.7920 7.3081 115.2599 53.9331 32.5623 174.7060 51 S 4.4160 8.4372 113.1561 58.0839 63.8834 172.3171 52 C 5.0365 8.3192 115.9872 53.1247 39.1319 173.6384 53 D 4.6916 8.1462 120.9469 52.0259 42.4178 176.8038 54 L 3.9679 8.3002 119.5911 58.5738 41.6710 179.0040 55 R 3.9911 7.9355 116.6774 58.9705 30.2610 178.7228 56 R 4.0779 8.3899 118.0047 59.2961 30.1801 178.5126 57 L 3.9682 7.7656 119.5411 58.4876 41.9139 178.5618 58 E 4.1015 8.3385 117.9808 58.5284 29.3731 178.0879 59 M 4.1333 8.1115 117.8769 57.5832 32.0953 176.7926 60 Y 3.4655 7.6213 116.2488 56.6401 38.3999 174.2258 61 C 4.8252 7.3614 118.7232 56.4186 40.8519 173.7655 62 A 4.5358 8.8724 125.8929 51.5115 18.7541 175.6922 63 P 4.3489 0.0000 0.0000 62.3443 32.3676 176.2796 64 L 3.9336 8.5241 124.8954 55.1884 42.2421 176.0436 65 K 4.4814 8.4749 127.4963 53.5948 33.6685 174.2390 66 P 4.5726 0.0000 0.0000 63.5938 32.2035 173.1753 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 G 8.35 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 4.39 0.00 2.13 1.69 0.00 3.65 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 2.04 2.13 0.00 3 E 9.03 4.16 0.00 1.96 2.34 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 2.12 2.27 0.00 4 T 7.59 4.29 4.43 0.00 0.00 0.00 0.00 0.00 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 5 L 8.78 4.85 0.00 1.51 1.59 0.86 0.64 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 6 C 8.32 4.86 0.00 2.81 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 7 G 8.90 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.70 4.00 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 9 E 8.11 3.83 0.00 2.17 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 2.37 2.35 0.00 10 L 7.43 3.82 0.00 1.76 1.84 0.78 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 11 V 7.64 3.27 2.23 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 0.80 0.00 0.00 1.12 0.00 0.00 12 D 8.53 4.32 0.00 2.91 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.09 3.98 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 14 L 7.72 3.72 0.00 0.95 0.46 0.26 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 15 Q 8.26 4.13 0.00 2.22 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.83 0.00 0.00 0.00 0.00 0.00 2.61 2.57 0.00 16 F 7.94 3.93 0.00 3.14 3.20 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 17 V 8.08 3.76 2.19 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 0.90 0.00 0.00 1.06 0.00 0.00 18 C 8.97 4.48 0.00 3.22 3.36 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.51 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 D 8.75 4.60 0.00 2.77 2.79 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 21 R 7.87 3.88 0.00 1.90 2.21 0.00 3.48 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.76 0.00 22 G 8.08 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 23 F 7.15 5.31 0.00 2.95 2.91 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 24 Y 8.45 4.93 0.00 3.03 2.91 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 25 F 9.15 4.49 0.00 3.26 3.13 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 0.00 0.00 0.00 0.00 26 N 8.48 5.57 0.00 2.76 2.89 0.00 0.00 6.87 7.61 0.00 0.00 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 K 8.40 4.01 0.00 1.88 1.94 0.00 1.71 0.00 0.00 1.80 0.00 0.00 3.09 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.72 1.85 7.81 28 P 0.00 4.52 0.00 1.96 2.00 0.00 3.67 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.94 0.00 29 T 7.92 4.57 4.27 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 1.22 0.00 0.00 30 G 8.55 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 0.00 0.00 0.00 31 Y 8.65 4.22 0.00 2.84 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 *38 A 8.08 4.14 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 39 P 0.00 4.03 0.00 2.10 1.96 0.00 3.73 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.18 0.00 40 Q 8.59 4.08 0.00 1.98 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.38 0.00 41 T 8.37 4.82 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 42 G 8.69 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.20 3.25 0.56 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 1.01 0.72 0.00 0.00 44 V 7.51 3.24 1.78 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 0.13 0.00 0.00 0.79 0.00 0.00 45 D 7.80 4.31 0.00 2.96 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.77 4.44 0.00 1.98 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.54 0.00 47 C 8.43 4.85 0.00 2.92 2.97 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 0.00 0.00 0.00 48 C 7.77 4.56 0.00 2.86 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.59 4.53 0.00 3.21 2.97 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 0.00 0.00 0.00 50 R 7.31 4.79 0.00 2.02 1.89 0.00 3.11 0.00 0.00 3.33 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.66 0.00 51 S 8.44 4.42 0.00 4.00 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 52 C 8.32 5.04 0.00 3.05 3.20 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 53 D 8.15 4.69 0.00 2.96 2.87 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 0.00 0.00 0.00 54 L 8.30 3.97 0.00 1.78 1.71 0.94 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 55 R 7.94 3.99 0.00 1.81 1.98 0.00 3.51 0.00 0.00 3.23 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.78 0.00 56 R 8.39 4.08 0.00 2.06 2.05 0.00 3.18 0.00 0.00 3.15 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.79 0.00 57 L 7.77 3.97 0.00 1.73 1.82 0.84 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 58 E 8.34 4.10 0.00 2.10 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 0.00 2.30 2.34 0.00 59 M 8.11 4.13 0.00 1.72 2.13 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.51 0.00 60 Y 7.62 3.47 0.00 2.93 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 C 7.36 4.83 0.00 2.82 3.06 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.87 4.54 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 63 P 0.00 4.35 0.00 1.95 2.01 0.00 3.70 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.12 0.00 64 L 8.52 3.93 0.00 1.58 1.60 0.92 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 65 K 8.47 4.48 0.00 1.74 1.67 0.00 1.96 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.34 1.37 7.81 66 P 0.00 4.57 0.00 2.12 1.94 0.00 3.76 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 1.77 1.82 0.00 * Residues marked with a * may have inaccurate shift predictions.