NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.7919 8.3393 109.7368 44.7315 0.0000 173.1780 *4 P 4.1241 0.0000 0.0000 62.3979 32.3502 176.1029 5 V 4.5722 7.8263 113.2862 59.5934 36.1384 173.9277 6 E 4.3333 8.8268 123.4915 54.3643 32.3091 174.5384 7 F 5.3586 8.2943 125.3172 56.4075 40.2594 174.7507 8 N 5.0874 8.7435 121.9655 51.6864 40.2578 175.0545 9 T 4.4949 8.6904 111.2550 61.5480 70.3503 174.1088 10 L 4.9841 7.5292 120.7080 53.1509 46.2251 175.9479 11 I 4.1933 8.6392 123.4354 60.3996 38.3849 175.2541 12 V 4.7646 8.4829 128.7327 61.3843 32.7047 175.0484 13 T 4.3774 8.6942 120.5907 59.5991 69.8729 176.3299 14 K 4.4715 8.0064 128.3808 56.0697 31.7953 178.8031 15 G 4.1307 8.7099 105.9005 46.0701 0.0000 174.9147 16 K 4.4880 7.4578 116.6713 56.1894 32.7906 176.2576 17 E 4.5912 7.9084 117.1674 56.5364 31.1009 175.9442 18 V 4.6376 8.8224 121.0870 61.1026 34.8155 174.3536 19 R 4.5885 8.8517 124.7966 55.3580 30.1085 176.2755 20 I 4.2622 7.9441 115.4625 60.9565 39.4522 175.2557 21 D 4.2639 7.0585 121.8203 53.6178 42.7872 174.7015 22 E 4.0529 8.5565 113.7456 58.9587 30.2288 177.4006 23 N 4.9946 7.8770 114.2489 51.9542 41.2486 173.5470 24 I 4.6318 7.1717 113.7627 59.1736 40.1797 174.8632 25 F 5.2580 8.9575 124.6554 55.4902 43.1166 173.9068 26 T 5.1824 9.0589 109.2637 60.0623 72.0263 172.8236 27 L 5.0648 9.4209 126.3384 53.2704 45.6795 174.2856 28 E 5.1336 8.9831 126.6849 54.5609 31.3112 174.8837 29 K 4.8093 9.4701 126.2147 54.4990 35.9735 174.7098 30 D 4.6772 8.6522 122.2342 54.8135 42.0055 177.2838 31 G 3.6596 8.5101 109.7654 45.4235 0.0000 173.0315 32 Y 3.9873 7.3539 116.7963 57.3979 37.9701 175.0098 33 R 5.0086 8.6922 123.2725 54.7517 32.6512 176.1716 34 V 4.7345 9.1893 122.1684 61.5837 33.8730 173.9542 35 Y 4.9805 8.6986 124.8538 55.5684 40.9725 175.4532 36 P 4.3950 0.0000 0.0000 62.6300 31.4887 175.6087 *38 E 4.2506 8.5545 118.3507 56.3056 31.1289 176.0435 39 I 4.5676 7.5017 118.8888 59.6253 38.5745 173.9723 40 P 5.0330 0.0000 0.0000 62.4374 32.4171 175.3065 *42 D 4.6369 8.4316 119.1927 54.4103 42.6978 174.9059 43 V 4.9820 8.7891 115.3351 59.6372 35.2193 174.9458 44 R 4.8352 9.0252 120.2003 54.5704 32.9648 176.1595 45 K 4.0937 8.7802 121.3204 59.4727 32.6762 176.3708 46 T 4.7686 7.3636 110.8980 60.5481 70.4030 173.3201 47 K 4.5742 8.5532 121.1477 56.8560 32.0099 177.9794 48 F 4.2509 8.2772 115.3991 58.0957 43.0919 178.4414 *50 E 5.2033 8.8830 123.0100 56.5686 30.5911 177.8224 51 K 4.0008 9.0077 126.1536 57.1629 33.6236 176.1031 52 S 4.4543 9.3173 121.2375 57.7052 63.4453 173.7584 53 G 4.2233 6.6697 105.8767 46.0990 0.0000 170.5192 54 T 5.0306 7.8225 114.5938 61.9833 72.3063 173.4185 55 A 5.2465 8.1998 124.3928 51.2530 23.6055 174.7625 56 E 4.7477 9.1305 117.7594 54.6036 33.6403 175.7972 57 V 4.0914 8.6853 125.4363 63.5256 31.5568 175.4581 58 Q 4.5292 9.3948 126.8175 56.9605 30.3692 175.8931 59 K 4.6880 7.7314 118.2781 54.9098 36.0274 174.5903 60 L 5.1610 8.3545 126.8346 53.4857 45.2674 175.1448 61 Q 4.6897 9.0310 122.3904 54.3166 32.5387 173.6960 62 W 5.6751 8.3229 119.6779 55.2986 32.3014 174.9887 63 E 4.6270 9.9459 119.8430 57.0492 33.3250 175.2136 64 E 4.0039 10.1366 125.7119 58.1067 26.8502 174.9418 65 G 3.2052 8.1108 103.6228 45.8091 0.0000 171.2264 66 R 4.9680 7.6115 117.7343 54.3550 34.4127 174.4374 67 T 5.3444 8.8258 114.6602 60.4906 71.1332 172.2761 68 I 5.1218 8.8361 128.5670 59.2274 40.9272 174.0329 69 I 4.9608 9.0075 123.1777 59.4895 40.9606 174.8116 70 T 5.1357 8.8685 120.6598 62.2023 70.9557 172.6658 71 Y 5.2541 8.4464 124.7671 54.9232 41.9599 174.5578 72 K 4.7897 8.9617 122.7006 54.6769 34.0275 175.0303 73 L 4.9236 9.4938 131.8064 55.5387 42.1322 176.5530 74 T 4.6285 8.7290 116.7626 61.4694 69.8997 174.5946 75 S 4.7515 7.3602 115.8249 58.2200 65.4455 175.4723 76 L 5.0037 8.5918 120.7004 54.6056 44.0328 173.8148 77 H 4.2179 8.9205 124.7496 57.3622 29.2559 178.2944 78 S 4.3524 5.8100 106.9145 57.3846 61.5474 175.2529 79 V 3.7831 7.2970 118.9419 60.7522 30.8129 176.5833 80 N 4.5377 8.4285 124.0767 53.7146 39.6613 174.7890 81 L 4.3794 8.1310 120.3949 54.9653 42.6397 176.6978 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 2 G 8.34 3.79 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 0.00 0.00 0.00 *4 P 0.00 4.12 0.00 2.12 2.05 0.00 3.71 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 1.84 1.95 0.00 5 V 7.83 4.57 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 0.58 0.00 0.00 0.64 0.00 0.00 6 E 8.83 4.33 0.00 1.85 1.63 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 2.07 2.12 0.00 7 F 8.29 5.36 0.00 2.94 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 N 8.74 5.09 0.00 1.47 2.47 0.00 0.00 6.95 7.22 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 9 T 8.69 4.49 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 10 L 7.53 4.98 0.00 1.48 1.55 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 11 I 8.64 4.19 1.58 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.45 0.38 0.00 0.00 12 V 8.48 4.76 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 0.85 0.00 0.00 0.95 0.00 0.00 13 T 8.69 4.38 4.48 0.00 0.00 0.00 0.00 0.00 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 14 K 8.01 4.47 0.00 1.83 1.87 0.00 2.07 0.00 0.00 1.81 0.00 0.00 2.92 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.55 1.36 7.81 15 G 8.71 4.13 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 0.00 0.00 0.00 16 K 7.46 4.49 0.00 1.73 1.92 0.00 1.64 0.00 0.00 1.78 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.39 7.81 17 E 7.91 4.59 0.00 2.13 2.09 0.00 0.00 0.00 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 2.06 0.00 18 V 8.82 4.64 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.97 0.00 0.00 19 R 8.85 4.59 0.00 1.53 1.57 0.00 3.05 0.00 0.00 3.28 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.59 0.00 20 I 7.94 4.26 1.79 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.53 0.85 0.00 0.00 21 D 7.06 4.26 0.00 2.46 2.28 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 22 E 8.56 4.05 0.00 2.09 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.20 0.00 23 N 7.88 4.99 0.00 2.62 3.00 0.00 0.00 6.70 7.32 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 24 I 7.17 4.63 1.71 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.44 0.82 0.00 0.00 25 F 8.96 5.26 0.00 1.62 2.76 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 26 T 9.06 5.18 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 1.16 0.00 0.00 27 L 9.42 5.06 0.00 1.92 1.58 0.99 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 28 E 8.98 5.13 0.00 2.05 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.37 0.00 29 K 9.47 4.81 0.00 1.80 1.75 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.75 7.81 30 D 8.65 4.68 0.00 2.66 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.51 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 32 Y 7.35 3.99 0.00 2.40 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 33 R 8.69 5.01 0.00 1.97 1.80 0.00 3.30 0.00 0.00 3.27 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.58 0.00 34 V 9.19 4.73 2.76 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 1.19 0.00 0.00 1.49 0.00 0.00 35 Y 8.70 4.98 0.00 2.92 2.84 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 0.00 0.00 0.00 0.00 36 P 0.00 4.39 0.00 2.09 2.07 0.00 3.88 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 2.07 2.10 0.00 *38 E 8.55 4.25 0.00 1.94 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 2.19 2.41 0.00 39 I 7.50 4.57 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 1.41 0.73 0.92 0.00 0.00 40 P 0.00 5.03 0.00 2.09 2.23 0.00 3.41 0.00 0.00 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.85 0.00 *42 D 8.43 4.64 0.00 2.71 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 43 V 8.79 4.98 1.90 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 0.56 0.00 0.00 0.94 0.00 0.00 44 R 9.03 4.84 0.00 1.89 1.99 0.00 2.74 0.00 0.00 3.26 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.62 0.00 45 K 8.78 4.09 0.00 1.86 1.85 0.00 1.72 0.00 0.00 1.73 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.49 7.81 46 T 7.36 4.77 4.30 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 1.38 0.00 0.00 47 K 8.55 4.57 0.00 1.78 1.73 0.00 1.73 0.00 0.00 1.67 0.00 0.00 2.77 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.47 7.81 48 F 8.28 4.25 0.00 3.09 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 *50 E 8.88 5.20 0.00 1.99 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.48 0.00 51 K 9.01 4.00 0.00 1.66 1.40 0.00 1.68 0.00 0.00 1.38 0.00 0.00 2.86 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.38 1.34 7.81 52 S 9.32 4.45 0.00 3.86 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 53 G 6.67 4.22 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 0.00 0.00 0.00 54 T 7.82 5.03 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 1.23 0.00 0.00 55 A 8.20 5.25 1.31 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 0.00 0.00 0.00 56 E 9.13 4.75 0.00 1.95 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 0.00 2.22 2.28 0.00 57 V 8.69 4.09 2.26 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 0.88 0.00 0.00 0.88 0.00 0.00 58 Q 9.39 4.53 0.00 1.92 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.38 0.00 0.00 0.00 0.00 0.00 2.35 2.43 0.00 59 K 7.73 4.69 0.00 1.78 1.58 0.00 1.65 0.00 0.00 1.73 0.00 0.00 2.77 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.41 1.42 7.81 60 L 8.35 5.16 0.00 1.67 1.42 1.24 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 61 Q 9.03 4.69 0.00 2.21 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.53 0.00 0.00 0.00 0.00 0.00 2.40 2.41 0.00 62 W 8.32 5.68 0.00 3.19 2.84 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 0.00 0.00 0.00 0.00 63 E 9.95 4.63 0.00 2.06 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 2.19 2.27 0.00 64 E 10.14 4.00 0.00 2.16 1.96 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 2.27 2.35 0.00 65 G 8.11 3.21 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 0.00 0.00 0.00 0.00 0.00 0.00 66 R 7.61 4.97 0.00 1.79 1.94 0.00 3.05 0.00 0.00 3.10 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.69 0.00 67 T 8.83 5.34 4.64 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 68 I 8.84 5.12 1.95 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 1.34 1.52 1.01 0.00 0.00 69 I 9.01 4.96 1.82 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.94 0.78 0.00 0.00 70 T 8.87 5.14 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 1.22 0.00 0.00 71 Y 8.45 5.25 0.00 3.18 2.98 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 0.00 0.00 0.00 72 K 8.96 4.79 0.00 1.86 1.79 0.00 1.64 0.00 0.00 1.61 0.00 0.00 2.82 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.38 7.81 73 L 9.49 4.92 0.00 2.11 1.89 1.10 1.11 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 74 T 8.73 4.63 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 1.38 0.00 0.00 75 S 7.36 4.75 0.00 3.90 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 L 8.59 5.00 0.00 1.53 1.62 0.97 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 77 H 8.92 4.22 0.00 3.14 3.01 0.00 5.94 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 S 5.81 4.35 0.00 3.99 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 79 V 7.30 3.78 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.94 0.00 0.00 80 N 8.43 4.54 0.00 2.69 2.77 0.00 0.00 7.01 7.78 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 81 L 8.13 4.38 0.00 1.62 1.49 0.92 0.83 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 * Residues marked with a * may have inaccurate shift predictions.