NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.4875 8.1133 121.1212 56.2406 32.1188 173.6648 2 I 4.6904 9.2714 126.2097 59.4023 39.7075 172.7574 3 C 5.0170 9.7929 124.4466 55.5196 45.6336 172.7152 4 Y 4.7123 8.7156 119.8471 57.3888 38.2383 175.9296 5 N 5.2122 8.9312 121.0702 52.5776 36.3797 173.9803 6 H 5.0283 8.1472 113.1859 54.4897 31.5925 175.0312 7 Q 4.4218 7.8157 119.0441 55.3873 30.8161 175.7769 8 S 4.1002 8.5051 113.6590 60.4151 63.4104 173.9582 9 T 3.3722 8.3468 113.9235 63.2256 65.6663 171.9812 10 T 4.7117 7.2975 106.2678 58.8916 72.0907 173.4854 11 R 3.6894 8.7134 122.3456 56.6349 30.3208 175.7900 12 A 3.7337 8.6312 127.6294 52.8983 18.4091 176.4452 13 T 4.9055 8.5055 112.7953 60.6591 71.8814 173.4283 14 T 4.9684 8.4118 112.7499 59.9473 71.8739 172.7383 15 K 4.6589 8.7944 121.9631 54.7637 36.2932 174.7227 16 S 5.1325 8.4270 115.3791 57.4841 63.7754 173.4227 17 C 4.9670 8.9674 121.7063 55.5303 44.5453 174.7339 *20 E 4.2214 8.6788 116.7077 56.4100 30.9938 176.5677 21 E 4.0513 8.1344 116.9738 56.5934 30.0216 176.5796 22 N 4.4874 8.6606 118.8025 55.4263 39.6527 175.1004 23 S 5.1010 7.3901 113.9850 57.3799 66.1758 172.4595 24 C 5.6585 9.3385 117.7496 56.0300 41.1037 172.5766 25 Y 5.3878 8.9108 118.0254 55.4904 41.9999 173.7732 26 K 4.8587 9.4131 121.7860 54.7193 34.7029 175.2845 27 K 5.0684 9.6076 128.1167 56.3788 34.0082 175.6887 28 Y 5.6522 8.6273 121.0183 55.9229 41.8244 173.7222 29 W 5.7137 9.1878 118.5341 56.2601 32.3447 173.0704 30 R 4.8080 8.5325 118.1096 55.7273 31.6692 172.4030 31 D 4.7976 7.5515 121.4078 55.3761 47.3800 178.4401 32 H 4.8312 7.7119 126.1332 56.1181 31.5758 175.3250 33 R 4.2559 8.2173 113.9603 56.3572 29.2149 177.0793 34 G 3.9481 7.4212 102.2400 45.1974 0.0000 172.6948 35 T 4.4223 8.3470 115.1603 60.4487 68.7643 174.2102 36 I 3.8967 7.9150 129.6973 59.9220 38.3709 174.5220 37 I 4.7849 8.5756 129.0689 59.7433 39.3291 174.8436 38 E 5.1067 9.5129 126.0752 55.0694 33.6830 173.8542 39 R 4.5943 8.2152 121.0129 54.8773 35.0205 174.4682 40 G 3.9562 6.4625 105.2104 46.8665 0.0000 170.2108 41 C 4.9629 9.1411 114.2312 54.9649 42.0740 174.5728 42 G 3.7963 9.7819 109.7503 45.4665 0.0000 172.1639 43 C 5.1197 8.0838 114.0157 54.7569 43.7989 171.8661 44 P 4.5166 0.0000 0.0000 61.7276 32.5556 176.3723 45 K 4.2382 8.1568 120.0924 55.3178 33.1339 176.1352 46 V 4.2810 7.9243 117.8895 59.5466 34.6082 174.8764 47 K 4.5163 7.8096 119.6876 53.7739 33.9567 174.8456 48 P 4.3486 0.0000 0.0000 64.0855 31.8823 175.0110 49 G 4.1618 8.9240 110.0010 45.6080 0.0000 173.9598 50 V 3.7521 6.8554 120.0958 61.8480 31.4227 176.3874 51 G 3.4881 8.7616 116.3086 46.1034 0.0000 170.9035 52 I 4.9913 7.3557 118.5117 60.1856 41.3452 173.1523 53 H 5.0703 9.8420 126.0799 54.9007 33.4625 169.7193 54 C 5.8052 8.5518 119.2824 54.1387 45.3963 171.7402 55 C 5.1025 9.4096 113.6444 54.0791 45.1621 174.0072 56 Q 4.8257 8.3675 118.3096 54.7028 29.4578 175.7878 57 S 4.6606 7.6299 109.7876 56.8290 65.8624 173.4945 58 D 4.6188 8.6689 122.5556 56.1098 40.9683 176.2858 59 K 3.7834 8.8136 121.6535 57.3644 30.4505 174.3608 60 C 4.5327 8.2312 116.2412 58.3709 42.2843 174.3373 61 N 4.6613 7.9148 118.3101 51.8595 36.2667 174.1789 62 Y 4.0487 7.7600 122.5715 58.5437 38.8696 174.5330 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 1 R 8.11 4.49 0.00 2.04 2.02 0.00 3.38 0.00 0.00 3.33 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.71 0.00 2 I 9.27 4.69 1.76 0.00 0.00 0.80 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 0.23 0.74 0.00 0.00 3 C 9.79 5.02 0.00 2.72 2.95 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 0.00 0.00 0.00 4 Y 8.72 4.71 0.00 3.12 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 5 N 8.93 5.21 0.00 2.65 2.78 0.00 0.00 6.80 8.48 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 6 H 8.15 5.03 0.00 3.28 3.47 0.00 5.72 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 Q 7.82 4.42 0.00 2.43 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.96 0.00 0.00 0.00 0.00 0.00 2.39 2.34 0.00 8 S 8.51 4.10 0.00 3.76 3.77 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 0.00 0.00 0.00 9 T 8.35 3.37 4.21 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 1.18 0.00 0.00 10 T 7.30 4.71 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 1.27 0.00 0.00 11 R 8.71 3.69 0.00 1.80 1.92 0.00 3.25 0.00 0.00 3.24 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 12 A 8.63 3.73 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 13 T 8.51 4.91 4.37 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 1.30 0.00 0.00 14 T 8.41 4.97 3.97 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 0.49 0.00 0.00 15 K 8.79 4.66 0.00 1.61 1.69 0.00 1.64 0.00 0.00 1.56 0.00 0.00 2.80 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.32 1.48 7.81 16 S 8.43 5.13 0.00 3.83 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 17 C 8.97 4.97 0.00 2.83 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 *20 E 8.68 4.22 0.00 2.10 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 0.00 2.18 2.31 0.00 21 E 8.13 4.05 0.00 2.00 2.17 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 2.35 2.31 0.00 22 N 8.66 4.49 0.00 2.67 2.85 0.00 0.00 6.93 7.65 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 23 S 7.39 5.10 0.00 3.83 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 24 C 9.34 5.66 0.00 2.84 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 25 Y 8.91 5.39 0.00 3.21 3.20 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 0.00 26 K 9.41 4.86 0.00 1.89 1.93 0.00 1.82 0.00 0.00 1.73 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.60 1.48 7.81 27 K 9.61 5.07 0.00 2.31 2.09 0.00 1.56 0.00 0.00 1.53 0.00 0.00 3.09 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.42 1.49 7.81 28 Y 8.63 5.65 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 29 W 9.19 5.71 0.00 3.38 3.20 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 0.00 30 R 8.53 4.81 0.00 1.77 1.85 0.00 3.43 0.00 0.00 3.39 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.60 0.00 31 D 7.55 4.80 0.00 2.90 2.59 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 32 H 7.71 4.83 0.00 3.02 3.20 0.00 5.92 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 R 8.22 4.26 0.00 1.61 1.80 0.00 3.46 0.00 0.00 3.19 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.49 0.00 34 G 7.42 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 35 T 8.35 4.42 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 1.14 0.00 0.00 36 I 7.91 3.90 0.56 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 0.96 0.15 0.23 0.00 0.00 37 I 8.58 4.78 1.82 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 1.02 0.98 1.01 0.00 0.00 38 E 9.51 5.11 0.00 2.16 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 2.33 2.64 0.00 39 R 8.22 4.59 0.00 1.55 1.65 0.00 3.30 0.00 0.00 3.42 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.69 0.00 40 G 6.46 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 0.00 0.00 0.00 41 C 9.14 4.96 0.00 3.10 3.10 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 0.00 0.00 0.00 0.00 42 G 9.78 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.08 5.12 0.00 2.94 2.96 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 44 P 0.00 4.52 0.00 2.06 1.92 0.00 3.42 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.65 0.00 45 K 8.16 4.24 0.00 1.65 1.67 0.00 1.57 0.00 0.00 1.64 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.32 1.44 7.81 46 V 7.92 4.28 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 0.67 0.00 0.00 0.82 0.00 0.00 47 K 7.81 4.52 0.00 1.66 1.62 0.00 1.62 0.00 0.00 1.78 0.00 0.00 2.86 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.32 1.25 7.81 48 P 0.00 4.35 0.00 2.14 2.03 0.00 3.71 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.93 0.00 49 G 8.92 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 0.00 0.00 0.00 0.00 50 V 6.86 3.75 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 0.27 0.00 0.00 0.50 0.00 0.00 51 G 8.76 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.36 4.99 1.73 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.01 0.84 0.00 0.00 53 H 9.84 5.07 0.00 3.53 3.29 0.00 5.77 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 C 8.55 5.81 0.00 3.25 3.12 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 55 C 9.41 5.10 0.00 3.01 3.30 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 56 Q 8.37 4.83 0.00 2.06 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.74 0.00 0.00 0.00 0.00 0.00 2.29 2.27 0.00 57 S 7.63 4.66 0.00 3.98 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 58 D 8.67 4.62 0.00 2.65 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.81 3.78 0.00 1.83 1.85 0.00 1.27 0.00 0.00 1.46 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.77 1.13 7.81 60 C 8.23 4.53 0.00 3.18 3.33 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 61 N 7.91 4.66 0.00 2.90 2.95 0.00 0.00 6.08 7.79 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 62 Y 7.76 4.05 0.00 2.85 2.48 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 0.00 * Residues marked with a * may have inaccurate shift predictions.