NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 G 4.4261 8.3016 107.8328 46.8298 0.0000 172.2408 12 T 4.3619 8.1570 117.2291 59.9194 69.1342 172.0379 13 E 4.5543 9.4911 130.1465 56.8660 31.3194 175.2800 14 C 5.1516 9.4277 120.4278 58.2719 33.3259 172.9366 15 I 4.8506 8.8531 122.4404 59.4553 39.6913 174.8352 16 A 4.3817 8.8968 128.6664 51.8470 18.6632 178.6744 17 K 3.7686 9.3545 124.1421 59.0434 32.8714 176.2912 18 Y 4.9661 7.4812 114.8656 56.8764 42.3047 174.0345 19 N 5.0631 8.9404 117.1105 53.1274 40.2057 175.2852 20 F 4.7658 8.7771 123.9915 57.1457 42.6877 172.7148 21 H 4.7221 8.2547 123.1597 53.3868 30.6998 175.0473 22 G 3.3547 8.3194 111.3331 45.9413 0.0000 173.1808 23 T 4.3646 8.5638 107.9832 61.2392 70.0555 173.9931 24 A 4.5577 7.3125 123.9029 50.8861 21.9385 176.8899 25 E 3.9611 8.7199 118.2662 59.2794 29.9067 178.4471 26 Q 4.1408 7.9743 116.1291 57.6207 29.0909 175.3856 27 D 5.3007 7.8553 119.0371 53.8781 42.3944 175.9487 28 L 4.8157 8.7102 123.5784 52.7701 43.0753 174.4382 29 P 4.7033 0.0000 0.0000 63.0270 32.7256 174.7325 30 F 4.8988 8.2591 114.5432 56.9399 41.6584 172.2527 31 C 5.4198 9.0628 116.1636 57.2708 31.5264 174.1040 32 K 4.2470 9.1247 122.8330 58.4112 32.1830 176.6858 33 G 4.1054 8.9762 114.2633 45.3829 0.0000 173.7845 34 D 4.5242 8.2037 119.6188 54.8362 42.1586 175.7976 35 V 4.7086 8.2712 121.5993 61.3883 33.0635 174.8413 36 L 5.0775 8.9988 127.6406 53.0050 46.3965 175.4054 37 T 4.8937 8.5441 112.1061 59.7686 71.2687 173.3893 38 I 4.0786 8.9193 128.5883 61.5012 37.3702 176.6923 39 V 4.0321 8.8137 127.8287 64.1835 32.8515 175.4301 40 A 4.7072 7.6866 119.6154 50.7096 22.7603 175.2166 41 V 4.6759 8.3465 118.9982 62.0086 33.6340 175.2205 42 T 4.9332 7.7914 116.0507 59.7724 71.0678 174.0101 43 K 4.1037 8.8493 118.9937 58.3620 33.2684 175.9378 44 D 4.8981 7.8827 120.2101 51.7039 42.1144 174.7909 45 P 4.3072 0.0000 0.0000 65.2246 31.5902 177.0128 46 N 4.3433 8.3329 114.2198 53.6006 38.6780 174.4005 47 W 5.1825 8.4334 119.1571 54.9235 33.1228 174.1259 48 Y 5.3891 9.1557 121.3344 56.1817 41.6908 174.2388 49 K 5.0368 9.0749 122.4568 55.2710 34.4721 174.9966 50 A 5.0252 8.9073 130.2732 50.9400 22.8497 173.9220 51 K 5.0186 8.4739 114.4237 55.8055 36.4323 176.7282 52 N 5.2142 8.9835 124.4348 51.0483 39.5633 175.6993 53 K 4.1211 8.5583 116.6402 58.6437 32.1415 178.3425 54 V 4.1269 8.5921 117.7420 61.0109 31.3766 177.1071 55 G 3.9279 8.1065 108.0846 45.7248 0.0000 174.2077 56 R 4.1744 7.9122 120.8738 56.1721 31.2666 174.6770 57 E 5.1588 8.5078 125.9492 54.4563 32.8064 174.6003 58 G 4.1184 8.0325 110.4088 46.0686 0.0000 171.9232 59 I 5.0243 8.1325 121.5086 60.9097 38.3264 175.8050 60 I 5.0563 9.3353 119.9738 58.3418 41.5040 172.8129 61 P 3.5149 0.0000 0.0000 61.6844 31.5032 177.4709 62 A 3.6004 8.3981 129.0512 54.5345 18.3395 178.1265 63 N 4.5625 7.6643 111.7494 55.2402 39.1915 175.7163 64 Y 4.3671 8.2446 115.7132 58.7412 38.5957 175.2468 65 V 4.8279 7.5168 118.3998 59.8492 34.4370 174.9631 66 Q 4.5312 8.9713 122.4531 53.7350 32.3909 174.2686 67 K 3.9609 8.9406 129.4624 57.6087 32.9643 177.2427 *68 R 4.1176 8.2624 123.9066 56.5255 30.0704 173.7983 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 G 8.30 4.43 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 0.00 12 T 8.16 4.36 4.16 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 0.00 0.00 1.12 0.00 0.00 13 E 9.49 4.55 0.00 1.93 1.81 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 2.36 2.31 0.00 14 C 9.43 5.15 0.00 2.79 2.66 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 15 I 8.85 4.85 1.81 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 1.12 0.48 0.92 0.00 0.00 16 A 8.90 4.38 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 17 K 9.35 3.77 0.00 1.15 0.74 0.00 0.96 0.00 0.00 1.43 0.00 0.00 2.80 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.18 1.14 7.81 18 Y 7.48 4.97 0.00 2.72 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.94 5.06 0.00 2.71 2.74 0.00 0.00 6.51 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 F 8.78 4.77 0.00 2.41 1.45 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.25 4.72 0.00 2.80 3.02 0.00 5.96 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 G 8.32 3.35 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 0.00 23 T 8.56 4.36 4.29 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 1.38 0.00 0.00 24 A 7.31 4.56 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 25 E 8.72 3.96 0.00 2.08 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 0.00 2.25 2.28 0.00 26 Q 7.97 4.14 0.00 2.21 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 7.02 0.00 0.00 0.00 0.00 0.00 2.33 2.23 0.00 27 D 7.86 5.30 0.00 2.77 3.05 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 0.00 0.00 0.00 0.00 28 L 8.71 4.82 0.00 1.79 1.85 1.04 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 29 P 0.00 4.70 0.00 2.00 1.84 0.00 3.93 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 2.02 1.93 0.00 30 F 8.26 4.90 0.00 3.35 3.31 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 31 C 9.06 5.42 0.00 3.17 2.92 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 32 K 9.12 4.25 0.00 1.91 1.79 0.00 1.84 0.00 0.00 1.74 0.00 0.00 3.32 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.48 1.56 7.81 33 G 8.98 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 D 8.20 4.52 0.00 2.94 2.64 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 0.00 35 V 8.27 4.71 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 0.77 0.00 0.00 0.91 0.00 0.00 36 L 9.00 5.08 0.00 1.40 1.50 0.20 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 37 T 8.54 4.89 4.20 0.00 0.00 0.00 0.00 0.00 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 38 I 8.92 4.08 1.74 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 1.03 0.44 0.57 0.00 0.00 39 V 8.81 4.03 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 0.74 0.00 0.00 0.99 0.00 0.00 40 A 7.69 4.71 1.23 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 0.00 0.00 0.00 0.00 0.00 0.00 41 V 8.35 4.68 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 0.92 0.00 0.00 0.97 0.00 0.00 42 T 7.79 4.93 4.32 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 0.00 0.00 0.00 1.37 0.00 0.00 43 K 8.85 4.10 0.00 1.91 2.00 0.00 1.56 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.37 7.81 44 D 7.88 4.90 0.00 2.75 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 45 P 0.00 4.31 0.00 2.09 2.15 0.00 3.77 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.17 0.00 46 N 8.33 4.34 0.00 2.87 2.39 0.00 0.00 6.58 7.30 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 47 W 8.43 5.18 0.00 3.22 3.07 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 0.00 0.00 0.00 0.00 48 Y 9.16 5.39 0.00 2.85 2.66 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 49 K 9.07 5.04 0.00 1.90 1.85 0.00 1.61 0.00 0.00 1.69 0.00 0.00 2.89 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.39 1.43 7.81 50 A 8.91 5.03 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 51 K 8.47 5.02 0.00 1.86 1.74 0.00 1.63 0.00 0.00 1.82 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.34 1.40 7.81 52 N 8.98 5.21 0.00 3.00 3.02 0.00 0.00 6.98 6.34 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 53 K 8.56 4.12 0.00 1.76 1.92 0.00 1.62 0.00 0.00 1.84 0.00 0.00 3.21 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.44 1.49 7.81 54 V 8.59 4.13 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 0.74 0.00 0.00 0.95 0.00 0.00 55 G 8.11 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.91 4.17 0.00 1.95 1.85 0.00 3.16 0.00 0.00 3.31 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.66 0.00 57 E 8.51 5.16 0.00 2.01 1.81 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 2.19 2.52 0.00 58 G 8.03 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 0.00 0.00 0.00 59 I 8.13 5.02 2.13 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.14 1.05 0.00 0.00 60 I 9.34 5.06 1.94 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.38 1.23 0.00 0.00 61 P 0.00 3.51 0.00 1.50 0.92 0.00 3.00 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.72 0.00 62 A 8.40 3.60 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.66 4.56 0.00 2.82 2.90 0.00 0.00 6.93 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 Y 8.24 4.37 0.00 3.22 3.31 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 65 V 7.52 4.83 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 0.76 0.00 0.00 0.76 0.00 0.00 66 Q 8.97 4.53 0.00 1.94 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.97 0.00 0.00 0.00 0.00 0.00 2.19 2.22 0.00 67 K 8.94 3.96 0.00 1.76 1.69 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.85 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.40 1.49 7.81 *68 R 8.26 4.12 0.00 1.61 1.70 0.00 3.26 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.60 0.00 * Residues marked with a * may have inaccurate shift predictions.