NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 V 3.9370 8.0549 120.3925 62.7312 32.8789 175.5741 13 T 3.9213 7.9833 116.1797 62.2230 67.8500 173.1393 14 L 4.3659 9.0876 128.2050 54.7905 44.2729 175.9138 15 T 4.9164 8.3913 117.5691 61.8962 71.3498 173.4805 16 I 4.6045 8.9264 126.8935 59.4557 40.6174 174.6404 17 R 5.1099 8.6166 124.3920 54.3915 32.6279 174.9471 18 L 4.7781 9.1550 124.1903 52.9014 44.4976 176.2903 19 L 5.0204 8.3065 125.2633 53.3557 44.4293 175.0821 *21 H 4.6517 8.4784 117.0840 55.2316 30.1589 174.7653 22 G 4.0004 8.6254 111.3598 48.1741 0.0000 175.8028 23 K 4.1793 7.9866 118.6183 58.9097 32.5271 178.1935 24 E 4.2256 8.2945 119.6601 58.0884 29.6278 178.5388 25 V 4.0282 7.7730 118.5915 65.4406 31.7124 177.9530 26 G 3.7599 8.1487 105.1118 48.0904 0.0000 175.3270 27 S 4.1730 7.4293 114.6884 60.9647 62.4192 175.9011 28 I 3.9653 7.4440 122.0361 63.8017 37.2827 177.6056 29 I 3.6860 7.5413 120.2378 64.3974 37.4437 177.4789 30 G 4.2585 8.2109 104.2182 44.7455 0.0000 172.7239 31 K 3.8414 8.4643 117.6879 58.0919 32.2747 177.6662 32 K 3.6181 9.7621 120.6005 56.9487 29.9437 176.0074 33 G 3.9377 8.3607 107.0143 46.3163 0.0000 175.8813 34 E 3.9747 8.2364 121.3141 58.9808 29.3246 178.9613 35 S 4.0394 7.9430 113.0438 61.2632 62.6940 176.2067 36 V 3.7409 7.7010 120.3167 64.3323 31.3691 177.7118 37 K 4.0460 7.8329 120.4915 59.2752 31.9015 179.0960 38 K 3.6220 7.5896 116.0445 57.5799 31.8819 178.1676 *40 R 4.2845 7.8735 117.7761 55.9821 32.0436 177.0643 41 E 4.1342 8.2048 116.1121 59.5367 29.6935 178.3295 42 E 4.1433 8.4600 117.6320 59.0738 29.7004 178.6346 43 S 4.2374 8.1710 113.0684 58.7696 63.7644 175.7200 44 G 3.9165 8.2930 106.7788 45.6897 0.0000 172.3661 45 A 4.8694 7.4549 120.0429 49.6967 21.2687 177.6181 46 R 4.0763 8.9350 122.5015 56.3438 31.2827 175.2805 47 I 5.0017 8.4133 126.9177 59.4885 39.8938 174.3346 48 N 5.0215 9.3636 125.8301 51.7423 41.9278 172.7504 49 I 4.9745 8.2719 126.6178 59.1459 39.2170 175.8061 50 S 4.2524 8.7502 122.3301 58.4746 63.1671 174.4628 51 E 4.0327 8.8925 122.0065 59.0061 29.7533 177.9234 52 G 3.8480 7.9830 106.4201 45.6072 0.0000 174.3542 53 N 4.4727 8.6827 119.9745 52.5146 36.5993 174.1257 54 C 4.6001 7.8544 118.1225 58.1633 33.2989 171.7586 55 P 4.3505 0.0000 0.0000 64.8010 31.2073 175.5525 56 E 4.7883 8.0248 116.4761 54.6331 31.7496 175.6146 57 R 4.7469 8.6102 122.9330 54.4061 34.1500 175.0180 58 I 4.9665 8.4886 120.9159 59.7680 40.6780 174.6552 59 I 4.7562 8.7961 128.6926 60.1463 39.0877 174.7254 60 T 5.0164 8.8673 124.8417 61.9720 70.6613 173.6596 61 L 5.2618 9.1609 126.5501 52.9847 44.2763 175.5410 62 A 5.4016 8.9656 124.6079 49.6301 23.3095 174.3746 63 G 3.8522 9.0298 104.1553 42.7985 0.0000 171.9799 64 P 4.3461 0.0000 0.0000 62.7351 31.9067 177.6561 65 T 3.9150 8.8063 113.0327 65.3960 68.2418 176.1531 66 N 4.4437 8.1760 118.6725 55.4233 37.6024 177.0635 67 A 4.2936 8.0673 124.7437 54.3526 18.5026 179.6344 68 I 3.7098 7.7495 117.9710 64.5112 37.2657 178.2401 69 F 4.1032 8.6614 121.8561 61.1560 38.9966 177.2102 70 K 3.9779 8.1951 116.8721 59.4177 31.9574 178.8508 71 A 4.1072 7.8775 119.5723 55.1376 18.6762 178.7809 72 F 4.1566 8.2588 119.0101 61.4572 39.3494 178.5609 73 A 4.0286 7.7723 119.2099 52.1190 18.0729 179.4787 *75 I 3.9149 7.7527 123.0325 63.1016 39.4019 178.2699 76 I 3.4131 7.6414 121.2076 64.4839 36.5794 177.8035 77 D 4.3401 8.0436 118.5663 57.5898 40.8759 179.2718 78 K 4.0838 7.8263 117.8714 59.5704 32.0220 179.3004 79 L 3.9904 7.8457 117.9701 57.8309 41.5283 179.1582 80 E 4.1259 8.2236 117.6765 58.5200 29.5072 176.6649 81 E 4.1201 7.7738 122.5820 56.6144 29.4869 176.5730 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 12 V 8.05 3.94 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 0.99 0.00 0.00 0.93 0.00 0.00 13 T 7.98 3.92 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 1.25 0.00 0.00 14 L 9.09 4.37 0.00 1.60 1.57 0.91 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 15 T 8.39 4.92 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 1.21 0.00 0.00 16 I 8.93 4.60 1.87 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.88 0.87 0.00 0.00 17 R 8.62 5.11 0.00 1.65 1.82 0.00 3.16 0.00 0.00 3.23 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.62 0.00 18 L 9.15 4.78 0.00 1.55 1.60 1.07 0.50 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 19 L 8.31 5.02 0.00 1.65 1.55 0.91 1.11 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 *21 H 8.48 4.65 0.00 3.36 3.24 0.00 5.71 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 G 8.63 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 23 K 7.99 4.18 0.00 1.92 1.96 0.00 1.55 0.00 0.00 1.68 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.52 7.81 24 E 8.29 4.23 0.00 2.19 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 0.00 2.30 2.33 0.00 25 V 7.77 4.03 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 1.01 0.00 0.00 0.96 0.00 0.00 26 G 8.15 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.43 4.17 0.00 4.04 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 28 I 7.44 3.97 1.98 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.77 0.89 0.00 0.00 29 I 7.54 3.69 1.86 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 1.34 0.83 0.91 0.00 0.00 30 G 8.21 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 0.00 0.00 0.00 0.00 31 K 8.46 3.84 0.00 1.82 1.78 0.00 1.82 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.53 1.48 7.81 32 K 9.76 3.62 0.00 1.89 1.89 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.34 1.41 7.81 33 G 8.36 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 0.00 0.00 0.00 34 E 8.24 3.97 0.00 2.23 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.30 0.00 35 S 7.94 4.04 0.00 3.87 3.96 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.70 3.74 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.93 0.00 0.00 37 K 7.83 4.05 0.00 1.94 2.05 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.54 1.46 7.81 38 K 7.59 3.62 0.00 1.99 1.97 0.00 1.60 0.00 0.00 1.64 0.00 0.00 3.16 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.67 7.81 *40 R 7.87 4.28 0.00 2.08 2.02 0.00 3.26 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.66 0.00 41 E 8.20 4.13 0.00 1.98 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 2.34 2.40 0.00 42 E 8.46 4.14 0.00 2.03 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 0.00 2.35 2.36 0.00 43 S 8.17 4.24 0.00 4.09 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 44 G 8.29 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 A 7.45 4.87 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.93 4.08 0.00 1.90 1.83 0.00 3.04 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 47 I 8.41 5.00 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 1.24 0.99 0.92 0.00 0.00 48 N 9.36 5.02 0.00 2.77 2.62 0.00 0.00 6.62 7.25 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 49 I 8.27 4.97 1.87 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 1.40 0.77 0.91 0.00 0.00 50 S 8.75 4.25 0.00 3.87 3.88 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 51 E 8.89 4.03 0.00 1.95 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 2.29 2.30 0.00 52 G 7.98 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 53 N 8.68 4.47 0.00 2.84 2.94 0.00 0.00 5.98 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 54 C 7.85 4.60 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 55 P 0.00 4.35 0.00 2.22 2.10 0.00 3.59 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 2.12 0.00 56 E 8.02 4.79 0.00 1.79 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 2.19 2.24 0.00 57 R 8.61 4.75 0.00 1.70 1.80 0.00 3.22 0.00 0.00 3.36 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.57 0.00 58 I 8.49 4.97 1.87 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 1.23 0.74 0.91 0.00 0.00 59 I 8.80 4.76 1.89 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 1.23 0.61 0.93 0.00 0.00 60 T 8.87 5.02 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 1.25 0.00 0.00 61 L 9.16 5.26 0.00 1.54 1.58 1.03 0.80 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 62 A 8.97 5.40 1.19 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 0.00 0.00 63 G 9.03 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 64 P 0.00 4.35 0.00 2.21 2.00 0.00 3.64 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 2.09 0.00 65 T 8.81 3.92 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 66 N 8.18 4.44 0.00 3.05 3.12 0.00 0.00 6.17 7.05 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 67 A 8.07 4.29 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 68 I 7.75 3.71 2.08 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 1.55 0.82 0.93 0.00 0.00 69 F 8.66 4.10 0.00 3.22 3.22 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.20 3.98 0.00 2.03 1.91 0.00 1.94 0.00 0.00 1.75 0.00 0.00 3.08 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.58 1.76 7.81 71 A 7.88 4.11 1.37 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 0.00 0.00 72 F 8.26 4.16 0.00 3.15 3.03 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 73 A 7.77 4.03 1.17 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 0.00 0.00 *75 I 7.75 3.91 1.78 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 1.36 0.70 0.78 0.00 0.00 76 I 7.64 3.41 1.68 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.15 0.76 0.00 0.00 77 D 8.04 4.34 0.00 2.57 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 78 K 7.83 4.08 0.00 1.82 1.80 0.00 1.67 0.00 0.00 1.78 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.44 7.81 79 L 7.85 3.99 0.00 1.63 1.69 0.82 1.25 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 80 E 8.22 4.13 0.00 2.02 1.97 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 2.31 2.29 0.00 81 E 7.77 4.12 0.00 1.90 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 2.50 2.38 0.00 * Residues marked with a * may have inaccurate shift predictions.