NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 P 4.2592 0.0000 0.0000 61.5577 31.3984 175.9850 12 L 4.0723 8.2481 127.7255 50.6889 41.6976 174.1929 13 P 4.4731 0.0000 0.0000 62.5099 33.1684 177.2104 14 Q 3.9848 8.7645 119.0723 59.1590 28.7886 178.1902 15 A 4.2911 8.0021 117.8742 53.5520 18.4087 177.3996 16 Q 4.6196 8.0261 113.8374 55.3655 29.7361 175.3977 17 T 4.8104 7.4614 107.8780 58.9204 71.0853 172.4534 18 P 4.6150 0.0000 0.0000 62.5859 32.5171 176.0384 19 V 3.9478 9.0385 123.8881 62.4668 33.1311 174.8914 20 S 4.7883 8.6267 122.8845 57.8529 62.7760 174.5675 21 L 4.0081 8.9039 128.5859 57.8144 41.3421 178.5046 22 N 4.7030 8.3024 114.9327 54.7099 39.0084 175.4602 23 E 4.5411 7.9798 114.7604 55.8792 31.3605 176.3731 24 A 4.3351 7.7918 122.1757 51.8961 19.1404 177.9278 25 S 4.5536 9.2527 116.5940 57.1301 65.5100 175.3993 26 L 3.9251 8.3425 123.2378 58.5543 41.7944 178.3819 27 E 4.1076 8.0935 116.5585 59.5286 29.5078 178.7593 28 E 4.1537 7.8467 117.1495 58.9940 30.1159 179.3613 29 L 4.1453 7.9703 120.2895 54.4542 40.7564 178.5239 *31 A 4.2888 7.9562 121.3574 51.6144 20.8098 177.9231 32 L 3.9999 7.5799 117.1111 53.1144 42.3069 174.8470 33 P 4.2370 0.0000 0.0000 64.4488 31.2482 176.7480 34 G 3.8160 8.9919 111.2141 45.1359 0.0000 172.5738 35 I 4.1989 7.5109 121.0322 59.7321 38.0862 175.9752 36 G 4.1497 8.1213 114.0362 42.5535 0.0000 171.0527 37 P 4.2414 0.0000 0.0000 65.8299 31.1200 178.6734 38 V 3.5642 7.6456 117.5310 65.8736 31.5708 177.9445 39 L 4.0044 7.8679 118.0949 57.5895 41.5482 179.0713 40 A 3.9691 8.2410 121.0171 55.1074 18.3132 179.6631 41 R 3.8253 7.9315 117.0017 59.7833 30.2254 179.0461 42 R 3.9969 8.0055 117.7862 59.1198 29.7526 179.1902 43 I 4.0041 7.7385 120.4881 63.8909 37.5364 178.2432 44 V 3.8271 7.7924 119.0070 66.2283 31.1767 177.9789 45 E 4.1703 8.2983 117.0136 58.7625 29.3407 178.5939 46 G 3.8387 7.7304 103.4297 44.1253 0.0000 174.2868 47 R 3.5085 7.0401 120.2049 55.3130 30.6884 174.7037 48 P 4.6721 0.0000 0.0000 62.1315 32.8978 174.6799 49 Y 4.5519 9.0617 117.0096 56.2714 39.8041 177.1067 50 A 4.2424 8.9902 127.8218 53.9551 19.5458 177.3338 51 R 4.7419 7.7752 110.2257 53.5386 32.6475 176.0980 52 V 3.5305 8.4119 117.9349 66.0374 31.5465 177.5454 53 E 4.0593 8.1640 118.0430 58.3949 29.5408 177.5989 54 D 4.6634 8.2567 118.3481 56.1784 40.8997 177.6335 55 L 4.0264 8.0196 121.6070 57.3426 41.8176 178.0264 56 L 4.2362 7.6544 117.3699 56.2541 41.6089 178.1831 57 K 4.2847 8.0060 118.3308 56.9024 33.4106 176.8356 58 V 3.9605 7.4992 122.0926 61.4829 32.2025 175.0066 59 K 4.1238 8.5334 129.0096 57.8977 32.4296 176.7210 60 G 3.9875 9.1620 114.5879 45.2351 0.0000 173.7690 61 I 4.1714 7.0241 120.5986 59.6315 36.2663 176.2061 62 G 3.9179 7.9628 112.4709 43.1465 0.0000 169.4619 63 P 4.2322 0.0000 0.0000 65.4843 30.7405 178.9926 64 A 4.1513 7.9322 119.2297 55.1630 18.2002 179.7615 65 T 3.8217 7.6708 113.9133 66.7683 68.6987 176.5720 66 L 3.9386 8.1522 122.5296 58.0491 41.8593 178.3387 67 E 3.9351 8.3439 118.7503 59.6819 29.5768 178.9162 68 R 4.1489 7.5636 116.1963 58.9428 30.4290 178.4861 69 L 4.4058 7.7478 118.4588 56.8114 41.3008 179.0533 70 R 3.9426 8.0234 118.6943 59.2061 29.7996 177.0589 71 P 4.1786 0.0000 0.0000 64.8481 31.6110 177.1932 72 Y 4.4613 8.2115 113.8833 57.1654 38.2964 174.7299 73 L 5.4743 6.9752 119.3452 53.0814 44.7153 175.7306 74 R 4.7153 8.5825 116.4124 53.7909 33.6623 173.3442 75 P 4.5409 0.0000 0.0000 63.0927 31.0050 176.4999 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 11 P 0.00 4.26 0.00 2.11 1.96 0.00 3.71 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.59 0.00 12 L 8.25 4.07 0.00 1.77 1.61 0.86 0.75 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 13 P 0.00 4.47 0.00 2.26 2.17 0.00 3.76 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.08 0.00 14 Q 8.76 3.98 0.00 2.12 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 7.03 0.00 0.00 0.00 0.00 0.00 2.48 2.33 0.00 15 A 8.00 4.29 1.28 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 0.00 0.00 16 Q 8.03 4.62 0.00 2.17 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.60 0.00 0.00 0.00 0.00 0.00 2.29 2.26 0.00 17 T 7.46 4.81 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 1.39 0.00 0.00 18 P 0.00 4.61 0.00 1.97 2.02 0.00 3.67 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.06 0.00 19 V 9.04 3.95 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 0.90 0.00 0.00 1.04 0.00 0.00 20 S 8.63 4.79 0.00 3.97 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 21 L 8.90 4.01 0.00 1.50 1.38 0.57 0.91 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 22 N 8.30 4.70 0.00 2.78 2.93 0.00 0.00 6.74 7.66 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 23 E 7.98 4.54 0.00 1.96 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 2.26 2.24 0.00 24 A 7.79 4.34 1.28 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 0.00 0.00 25 S 9.25 4.55 0.00 4.01 4.02 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 0.00 0.00 0.00 26 L 8.34 3.93 0.00 1.64 1.75 0.91 0.92 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 27 E 8.09 4.11 0.00 1.97 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 2.31 2.35 0.00 28 E 7.85 4.15 0.00 2.20 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 2.35 2.35 0.00 29 L 7.97 4.15 0.00 1.90 1.66 0.93 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 *31 A 7.96 4.29 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 32 L 7.58 4.00 0.00 1.76 1.47 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 33 P 0.00 4.24 0.00 2.06 1.89 0.00 3.38 0.00 0.00 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.46 0.00 34 G 8.99 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 0.00 0.00 0.00 35 I 7.51 4.20 2.05 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 1.17 0.89 0.91 0.00 0.00 36 G 8.12 4.15 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 0.00 0.00 0.00 37 P 0.00 4.24 0.00 2.27 2.32 0.00 3.69 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.02 0.00 38 V 7.65 3.56 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 1.06 0.00 0.00 0.93 0.00 0.00 39 L 7.87 4.00 0.00 1.72 1.69 0.93 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 40 A 8.24 3.97 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 41 R 7.93 3.83 0.00 2.09 2.10 0.00 3.11 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 42 R 8.01 4.00 0.00 2.08 2.00 0.00 3.19 0.00 0.00 3.26 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.85 0.00 43 I 7.74 4.00 2.06 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.59 0.90 0.00 0.00 44 V 7.79 3.83 2.24 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 1.06 0.00 0.00 1.01 0.00 0.00 45 E 8.30 4.17 0.00 2.14 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 2.35 2.54 0.00 46 G 7.73 3.84 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 0.00 0.00 0.00 47 R 7.04 3.51 0.00 1.90 1.82 0.00 3.32 0.00 0.00 3.45 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.97 0.00 48 P 0.00 4.67 0.00 2.12 1.99 0.00 3.60 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.92 0.00 49 Y 9.06 4.55 0.00 3.09 3.08 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 0.00 0.00 0.00 0.00 50 A 8.99 4.24 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 51 R 7.78 4.74 0.00 1.93 2.01 0.00 3.16 0.00 0.00 3.39 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.58 0.00 52 V 8.41 3.53 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 0.99 0.00 0.00 0.91 0.00 0.00 53 E 8.16 4.06 0.00 2.13 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 2.39 2.47 0.00 54 D 8.26 4.66 0.00 3.16 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 55 L 8.02 4.03 0.00 1.74 1.61 0.58 0.35 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 56 L 7.65 4.24 0.00 1.80 1.73 0.93 0.73 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 57 K 8.01 4.28 0.00 1.95 1.98 0.00 1.58 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.86 1.55 7.81 58 V 7.50 3.96 2.22 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 0.95 0.00 0.00 1.10 0.00 0.00 59 K 8.53 4.12 0.00 1.77 1.72 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.45 7.81 60 G 9.16 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 0.00 0.00 0.00 61 I 7.02 4.17 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 1.22 0.66 0.89 0.00 0.00 62 G 7.96 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 63 P 0.00 4.23 0.00 2.17 2.12 0.00 3.60 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 2.16 0.00 64 A 7.93 4.15 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 65 T 7.67 3.82 4.39 0.00 0.00 0.00 0.00 0.00 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 66 L 8.15 3.94 0.00 1.82 1.82 0.90 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 67 E 8.34 3.94 0.00 2.13 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 0.00 2.34 2.37 0.00 68 R 7.56 4.15 0.00 1.99 2.02 0.00 3.39 0.00 0.00 3.25 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.82 0.00 69 L 7.75 4.41 0.00 1.80 1.75 0.89 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 70 R 8.02 3.94 0.00 1.87 2.00 0.00 3.13 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.84 0.00 71 P 0.00 4.18 0.00 1.39 1.83 0.00 3.88 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 1.96 2.10 0.00 72 Y 8.21 4.46 0.00 3.04 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 73 L 6.98 5.47 0.00 1.52 1.53 0.88 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 74 R 8.58 4.72 0.00 1.85 1.97 0.00 2.80 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.62 0.00 75 P 0.00 4.54 0.00 1.99 2.08 0.00 3.72 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 2.05 2.13 0.00 * Residues marked with a * may have inaccurate shift predictions.