NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 L 4.2727 8.0427 120.6185 54.8485 44.0425 178.6194 4 V 3.4699 7.6112 117.7461 65.4057 31.1698 176.4105 5 L 3.9202 8.0971 119.4778 57.1563 42.3419 178.3956 6 A 3.8405 7.6029 120.1127 55.0928 18.5857 179.1657 7 A 4.1732 8.3393 118.3721 53.8686 18.3699 179.4624 8 K 4.0452 7.7122 118.3788 59.2971 32.1384 178.3006 9 Y 4.2227 7.9731 116.5925 60.5079 37.9354 177.9566 10 I 3.8722 7.8474 120.5616 64.3679 36.8427 178.4776 11 G 3.6311 8.2304 106.3484 47.7512 0.0000 175.4452 12 A 4.2168 7.7292 122.3528 54.5409 18.5753 179.5335 13 G 3.6866 7.8152 104.6229 47.7362 0.0000 176.2256 14 I 3.8073 8.1394 122.2023 64.0819 36.6061 178.5929 15 S 4.3058 7.8144 115.0236 61.5033 62.4569 176.4065 16 T 4.0925 7.7084 118.0928 65.7907 68.1615 176.6897 17 I 3.9508 7.5562 120.7599 63.7632 37.0532 178.3546 18 G 3.7101 7.8640 106.2230 47.3938 0.0000 175.4500 19 L 4.2188 7.8341 120.4925 56.7006 41.4812 178.8264 20 L 4.0664 7.8612 120.9708 58.0310 41.9379 179.2127 21 G 3.5800 8.0552 105.0690 47.7026 0.0000 175.7560 22 A 4.1838 8.0315 123.1215 54.6039 18.4172 179.8809 23 G 3.5625 8.5002 104.7726 48.1532 0.0000 176.1661 24 I 3.9178 7.7137 122.9171 63.5921 36.7412 178.5224 25 G 3.8060 8.2116 106.8098 48.1050 0.0000 175.6160 26 I 3.9715 7.9366 122.4160 63.9298 37.1427 178.1584 27 A 4.0986 7.6309 120.9820 55.4513 18.2664 179.6153 28 I 3.6817 7.8382 118.0388 64.5914 37.2062 178.8621 29 V 3.5915 7.6014 118.4377 66.2531 31.5207 178.1872 30 F 4.0126 8.6259 117.2514 60.1999 38.6674 177.6183 31 A 4.0400 8.6832 120.9408 55.2317 18.2692 179.5709 32 A 4.0649 8.0514 118.8106 54.6765 18.2663 179.6908 33 L 3.9181 7.8463 119.8059 58.2096 42.2077 179.0588 34 I 3.8829 7.8193 112.9016 63.7560 37.4783 177.9962 35 N 4.4855 8.1478 117.9827 56.1018 38.5471 177.3469 36 G 3.7083 8.3187 107.2037 47.3233 0.0000 175.2934 37 V 3.9689 7.6206 118.9233 64.1514 31.5694 177.4245 38 S 4.3743 7.6998 112.8248 60.4739 62.7780 175.1490 39 R 4.3248 7.5259 119.8190 54.9638 31.1574 176.9778 40 N 4.1727 7.5206 116.8036 52.1819 38.2093 171.9634 41 P 4.6800 0.0000 0.0000 63.1541 31.8433 177.1245 42 S 4.6026 7.5611 115.4424 57.6110 61.9378 174.1474 43 I 3.4909 7.3613 126.7897 64.1764 38.7328 175.5654 44 K 4.3064 7.6850 127.5636 58.6530 31.1790 176.6548 45 D 4.8788 8.4763 122.3923 55.5626 40.2821 175.3384 46 T 3.3003 8.3812 118.4164 65.1870 66.9054 174.4836 47 V 3.7818 5.5963 124.4866 66.4533 32.6357 176.7242 48 F 4.2405 7.6197 117.7176 60.8151 38.7958 175.0069 49 P 4.0067 0.0000 0.0000 65.7925 31.0785 177.7464 50 M 4.2582 7.9661 115.5528 56.5146 32.2721 177.6927 51 A 3.9212 7.4658 120.5650 53.4965 18.4288 178.5329 52 I 4.3724 7.1446 116.6513 62.1454 38.2663 177.7090 53 L 4.1257 7.6545 121.1873 57.8551 41.5511 178.9488 54 G 3.5865 8.7912 106.2207 47.6131 0.0000 175.5957 55 F 4.3325 7.9774 122.0029 60.9435 39.4629 177.1144 56 A 3.4761 8.0944 120.3715 55.1049 18.0392 179.6351 57 L 4.0081 7.4827 115.6944 56.9856 41.6026 178.6452 58 S 4.4736 7.5122 111.5309 59.0446 62.9693 174.5870 59 E 3.9636 7.8810 120.4810 56.8122 29.4341 177.3555 60 A 3.9629 7.7648 120.3700 55.2700 17.8320 179.7974 61 T 4.0335 7.5021 114.7997 66.9156 68.6348 177.1273 62 G 3.6600 7.9117 107.0837 47.6839 0.0000 175.6072 63 L 4.0253 7.9544 121.2999 57.5347 41.4651 179.0710 64 F 4.6319 7.7375 115.6613 59.1377 38.8558 176.3987 65 C 4.4690 7.6217 117.8869 61.4170 32.1580 175.1377 66 L 4.2583 8.4919 121.7829 57.7225 41.6254 178.5792 67 M 4.1265 7.8454 118.3527 58.7870 31.9880 178.3198 68 V 3.7389 7.8849 118.1797 65.6628 31.4389 178.0510 69 S 4.1505 7.8976 113.1431 61.4335 63.2061 176.4092 70 F 4.1276 8.5662 121.0230 59.3067 38.4420 177.6216 71 L 4.1505 8.0394 119.9967 57.7914 41.9497 177.8785 72 L 4.5074 7.3762 116.0551 54.6912 41.6732 177.0320 73 L 4.2996 7.1240 119.3148 56.0792 43.1387 176.9493 74 F 4.0965 7.9612 119.4048 59.1096 39.2190 175.8129 *75 G 3.7389 8.4880 112.4246 45.8389 0.0000 172.5487 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 3 L 8.04 4.27 0.00 1.69 1.75 0.90 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 4 V 7.61 3.47 2.05 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 1.02 0.00 0.00 0.91 0.00 0.00 5 L 8.10 3.92 0.00 1.51 1.40 0.87 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 6 A 7.60 3.84 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 7 A 8.34 4.17 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.71 4.05 0.00 2.33 2.21 0.00 1.67 0.00 0.00 1.77 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.79 1.53 7.81 9 Y 7.97 4.22 0.00 3.10 2.94 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 0.00 0.00 0.00 10 I 7.85 3.87 1.90 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 1.60 0.74 0.93 0.00 0.00 11 G 8.23 3.63 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 0.00 0.00 0.00 12 A 7.73 4.22 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 G 7.82 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.14 3.81 1.88 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 1.70 1.40 0.92 0.00 0.00 15 S 7.81 4.31 0.00 4.06 3.94 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 0.00 0.00 0.00 16 T 7.71 4.09 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 17 I 7.56 3.95 1.88 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 1.46 1.13 0.92 0.00 0.00 18 G 7.86 3.71 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 0.00 0.00 0.00 19 L 7.83 4.22 0.00 1.88 1.75 0.96 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 20 L 7.86 4.07 0.00 1.80 1.78 0.93 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 21 G 8.06 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.03 4.18 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 23 G 8.50 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 24 I 7.71 3.92 1.99 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 1.48 0.66 0.94 0.00 0.00 25 G 8.21 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 I 7.94 3.97 1.99 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.39 1.16 0.00 0.00 27 A 7.63 4.10 1.47 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 28 I 7.84 3.68 2.08 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 1.45 1.24 0.95 0.00 0.00 29 V 7.60 3.59 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 0.94 0.00 0.00 0.98 0.00 0.00 30 F 8.63 4.01 0.00 3.35 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.68 4.04 1.43 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 0.00 0.00 0.00 32 A 8.05 4.06 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 33 L 7.85 3.92 0.00 1.71 1.86 0.99 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 34 I 7.82 3.88 1.89 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.51 0.98 0.00 0.00 35 N 8.15 4.49 0.00 2.89 2.93 0.00 0.00 6.98 7.71 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 36 G 8.32 3.71 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 0.00 0.00 0.00 37 V 7.62 3.97 2.14 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 1.00 0.00 0.00 1.00 0.00 0.00 38 S 7.70 4.37 0.00 4.06 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 39 R 7.53 4.32 0.00 1.89 1.97 0.00 3.32 0.00 0.00 3.23 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.86 0.00 40 N 7.52 4.17 0.00 2.82 2.85 0.00 0.00 6.95 9.23 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 41 P 0.00 4.68 0.00 2.17 2.13 0.00 3.74 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.94 0.00 42 S 7.56 4.60 0.00 4.18 4.06 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 43 I 7.36 3.49 1.79 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 1.18 1.14 0.88 0.00 0.00 44 K 7.68 4.31 0.00 1.75 1.77 0.00 1.75 0.00 0.00 1.74 0.00 0.00 3.14 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.56 7.81 45 D 8.48 4.88 0.00 2.80 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 46 T 8.38 3.30 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 1.21 0.00 0.00 47 V 5.60 3.78 2.25 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 1.00 0.00 0.00 0.93 0.00 0.00 48 F 7.62 4.24 0.00 3.15 3.28 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 0.00 49 P 0.00 4.01 0.00 2.14 2.04 0.00 3.70 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.20 0.00 50 M 7.97 4.26 0.00 2.03 2.17 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 2.71 2.51 0.00 51 A 7.47 3.92 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.14 4.37 1.89 0.00 0.00 0.57 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 0.99 0.00 0.00 53 L 7.65 4.13 0.00 1.68 1.73 0.90 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 54 G 8.79 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 F 7.98 4.33 0.00 3.60 3.37 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 56 A 8.09 3.48 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 L 7.48 4.01 0.00 1.55 1.73 0.91 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 58 S 7.51 4.47 0.00 4.02 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 E 7.88 3.96 0.00 1.38 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 2.18 2.28 0.00 60 A 7.76 3.96 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 61 T 7.50 4.03 4.42 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 62 G 7.91 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.95 4.03 0.00 1.44 1.45 0.74 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 64 F 7.74 4.63 0.00 3.14 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 65 C 7.62 4.47 0.00 3.36 3.14 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 66 L 8.49 4.26 0.00 1.96 1.72 1.12 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 67 M 7.85 4.13 0.00 2.27 2.38 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.64 0.00 68 V 7.88 3.74 2.14 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 1.07 0.00 0.00 1.02 0.00 0.00 69 S 7.90 4.15 0.00 4.22 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 70 F 8.57 4.13 0.00 3.34 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 71 L 8.04 4.15 0.00 2.02 1.87 1.01 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 72 L 7.38 4.51 0.00 1.64 1.68 0.98 0.92 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 73 L 7.12 4.30 0.00 1.79 1.61 0.08 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 74 F 7.96 4.10 0.00 3.06 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 *75 G 8.49 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.