NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4151 8.2893 120.3261 54.5612 32.5989 174.8476 2 P 4.4649 0.0000 0.0000 60.8313 33.6111 173.9676 3 R 5.0189 8.2754 120.2071 55.9643 31.8827 176.0275 4 L 5.0439 8.8942 126.2196 53.0473 44.9907 174.8508 5 K 4.8071 9.5147 127.7134 54.9379 34.6133 174.7235 6 V 4.6813 8.2552 121.3155 59.4822 34.4777 175.1075 7 K 4.8271 8.5636 125.8324 54.1588 34.9287 174.8846 8 L 4.2961 8.4978 130.5106 55.6170 42.4621 177.2565 9 V 4.0379 8.5007 117.8441 62.3605 34.1598 175.8831 10 K 4.3187 8.0217 120.5511 54.6110 32.8151 176.1959 11 S 4.2540 8.6018 121.3225 57.9302 62.9915 172.2872 12 P 4.4672 0.0000 0.0000 64.4054 31.6479 174.5427 13 I 3.8745 7.1195 119.5350 65.5694 36.3584 175.3833 14 G 3.9036 8.7068 111.9759 45.3483 0.0000 171.7521 15 Y 4.4845 8.3391 117.5880 55.3807 40.0567 174.1879 16 P 4.2686 0.0000 0.0000 63.1231 33.1721 177.4790 17 K 3.9033 8.8808 121.0840 59.7845 31.7733 179.1292 18 D 4.3497 8.0185 117.6015 56.7900 39.5472 178.1777 19 Q 4.1371 8.1186 119.4494 58.3983 28.3859 178.8287 20 K 3.9756 8.2881 119.2277 59.3041 31.8412 178.2876 21 A 4.4315 7.9187 117.9825 52.4680 18.1839 178.1316 22 A 4.4543 8.1229 123.3267 54.0641 20.0256 179.7142 23 L 4.1630 7.5905 116.8120 56.8732 41.6310 179.1245 24 K 3.9356 8.0143 118.5159 59.1201 32.1919 178.1151 25 A 4.2109 7.7872 120.1786 54.1616 18.6934 178.0477 26 L 4.4951 7.3392 115.0998 56.9807 43.5762 177.3557 27 G 3.8137 7.8351 104.0413 46.6449 0.0000 176.0162 28 L 4.7065 7.8221 124.1021 52.9460 42.6067 177.6792 29 R 4.2644 9.2602 130.1174 56.5274 28.4977 181.6566 30 R 4.1747 8.8741 128.5923 56.7767 31.3704 175.4396 31 L 4.3508 8.2951 118.5930 54.8549 42.9650 177.2530 32 Q 3.4033 8.1984 115.6502 56.8490 27.9165 174.0994 33 Q 4.1845 8.1465 121.0000 55.9858 29.9735 174.4705 34 E 5.0695 8.7275 125.7006 54.8990 32.1771 175.5393 35 R 4.5508 8.8522 123.1320 55.1442 33.9373 173.9247 36 V 4.5797 8.4755 120.1252 60.4527 32.6453 175.4230 37 L 4.8316 9.2968 125.6734 52.5097 46.0920 175.8059 38 E 4.2998 8.6453 122.6015 55.5290 30.4299 174.2670 39 D 4.8611 8.0721 128.1416 55.0408 41.7083 175.9085 40 T 4.7483 8.2629 114.5934 59.0428 72.1339 173.0151 41 P 4.0621 0.0000 0.0000 65.8140 31.4414 177.5369 42 A 4.7224 7.8843 117.9585 51.9758 18.7115 177.3363 43 I 4.5254 8.3740 119.3029 61.7767 39.0949 178.2924 44 R 4.1379 8.2442 119.4361 59.0267 30.2157 178.6346 45 G 4.4679 7.6769 105.3523 48.0609 0.0000 175.4074 46 N 4.3746 8.0100 117.9349 56.0808 38.7282 177.4819 47 V 3.5575 7.1957 118.0177 66.0845 31.5605 177.3335 48 E 4.0519 9.3102 117.4546 60.0371 29.6023 178.7518 49 K 3.9099 7.8712 119.1711 60.1085 32.1039 178.8732 50 V 3.6721 8.0252 106.8595 62.7353 31.1823 177.9750 51 A 3.6630 8.2127 119.3500 55.9873 17.8848 179.5446 52 H 3.6740 7.9355 115.9579 57.3873 29.0375 176.2444 53 L 4.2940 7.7088 119.2136 55.1081 42.3650 176.0590 54 V 4.8010 8.1693 118.2523 61.0322 35.0843 174.6527 55 R 4.5048 8.4491 125.1717 54.9014 31.9642 176.6221 56 V 4.3048 8.1168 124.8139 62.8046 34.2981 174.1005 57 E 5.3532 7.3539 124.8944 56.2349 33.6198 176.2300 58 V 4.5525 8.3034 126.5718 61.9411 33.0864 174.8822 59 V 4.2833 8.4523 128.6584 62.6022 35.6274 174.9702 *60 E 4.1603 8.6221 116.2494 56.2552 30.3181 171.4484 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 M 8.29 4.42 0.00 2.25 2.13 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.53 0.00 2 P 0.00 4.46 0.00 2.19 2.18 0.00 3.69 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.02 0.00 3 R 8.28 5.02 0.00 2.04 1.87 0.00 3.07 0.00 0.00 3.19 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.74 0.00 4 L 8.89 5.04 0.00 1.70 1.53 0.95 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 5 K 9.51 4.81 0.00 1.78 1.62 0.00 1.65 0.00 0.00 1.64 0.00 0.00 3.07 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.30 1.36 7.81 6 V 8.26 4.68 2.06 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 0.62 0.00 0.00 0.94 0.00 0.00 7 K 8.56 4.83 0.00 1.79 1.61 0.00 1.80 0.00 0.00 1.56 0.00 0.00 2.86 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.30 1.33 7.81 8 L 8.50 4.30 0.00 1.72 1.51 1.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 9 V 8.50 4.04 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 0.82 0.00 0.00 0.95 0.00 0.00 10 K 8.02 4.32 0.00 1.68 1.64 0.00 1.85 0.00 0.00 1.65 0.00 0.00 3.16 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.41 7.81 11 S 8.60 4.25 0.00 3.90 3.82 0.00 0.00 0.00 0.00 0.00 0.00 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 4.47 0.00 2.32 2.29 0.00 3.81 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.00 0.00 13 I 7.12 3.87 1.92 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.43 0.92 0.00 0.00 14 G 8.71 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 15 Y 8.34 4.48 0.00 3.08 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 16 P 0.00 4.27 0.00 2.27 2.06 0.00 3.85 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.25 0.00 17 K 8.88 3.90 0.00 1.85 1.90 0.00 1.58 0.00 0.00 1.88 0.00 0.00 3.14 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.55 1.60 7.81 18 D 8.02 4.35 0.00 2.84 2.82 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.12 4.14 0.00 2.33 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.93 0.00 0.00 0.00 0.00 0.00 2.48 2.52 0.00 20 K 8.29 3.98 0.00 2.04 1.88 0.00 1.69 0.00 0.00 1.68 0.00 0.00 3.37 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.52 1.73 7.81 21 A 7.92 4.43 1.36 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 0.00 0.00 22 A 8.12 4.45 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 23 L 7.59 4.16 0.00 1.87 1.86 0.92 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 24 K 8.01 3.94 0.00 1.73 1.84 0.00 1.66 0.00 0.00 1.71 0.00 0.00 3.14 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.56 7.81 25 A 7.79 4.21 1.34 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 0.00 0.00 0.00 26 L 7.34 4.50 0.00 1.65 1.67 0.89 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 27 G 7.84 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 28 L 7.82 4.71 0.00 1.60 1.64 0.89 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 29 R 9.26 4.26 0.00 1.90 1.32 0.00 3.33 0.00 0.00 3.22 7.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.74 0.00 30 R 8.87 4.17 0.00 1.80 1.92 0.00 3.20 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 31 L 8.30 4.35 0.00 1.70 1.59 0.93 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 32 Q 8.20 3.40 0.00 2.13 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.84 0.00 0.00 0.00 0.00 0.00 2.30 2.42 0.00 33 Q 8.15 4.18 0.00 2.12 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.77 0.00 0.00 0.00 0.00 0.00 2.35 2.34 0.00 34 E 8.73 5.07 0.00 1.87 1.82 0.00 0.00 0.00 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 2.39 0.00 35 R 8.85 4.55 0.00 1.81 1.70 0.00 3.23 0.00 0.00 3.28 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 36 V 8.48 4.58 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 0.75 0.00 0.00 0.93 0.00 0.00 37 L 9.30 4.83 0.00 1.50 1.50 0.91 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 38 E 8.65 4.30 0.00 2.09 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 2.37 2.36 0.00 39 D 8.07 4.86 0.00 2.81 2.89 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 40 T 8.26 4.75 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 1.31 0.00 0.00 41 P 0.00 4.06 0.00 2.19 2.18 0.00 3.58 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.13 0.00 42 A 7.88 4.72 1.26 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 0.00 0.00 0.00 43 I 8.37 4.53 1.95 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 1.29 1.22 0.90 0.00 0.00 44 R 8.24 4.14 0.00 1.84 1.95 0.00 3.26 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.76 0.00 45 G 7.68 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 46 N 8.01 4.37 0.00 2.81 2.84 0.00 0.00 6.75 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 V 7.20 3.56 2.16 0.00 0.00 0.00 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 0.94 0.00 0.00 48 E 9.31 4.05 0.00 2.18 2.01 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 2.49 2.47 0.00 49 K 7.87 3.91 0.00 1.77 1.86 0.00 1.63 0.00 0.00 1.80 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.44 1.51 7.81 50 V 8.03 3.67 1.95 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 0.66 0.00 0.00 0.99 0.00 0.00 51 A 8.21 3.66 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 52 H 7.94 3.67 0.00 3.20 3.49 0.00 5.71 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 L 7.71 4.29 0.00 1.66 1.71 0.58 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 54 V 8.17 4.80 2.02 0.00 0.00 0.00 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 0.87 0.00 0.00 55 R 8.45 4.50 0.00 1.82 1.81 0.00 3.16 0.00 0.00 3.09 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.53 0.00 56 V 8.12 4.30 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 0.73 0.00 0.00 0.91 0.00 0.00 57 E 7.35 5.35 0.00 2.30 1.95 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 2.05 2.01 0.00 58 V 8.30 4.55 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.93 0.00 0.00 59 V 8.45 4.28 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.96 0.00 0.00 *60 E 8.62 4.16 0.00 1.77 1.75 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 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.