NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 43 G 3.8821 8.3393 109.7365 45.0594 0.0000 175.7957 44 P 4.3503 0.0000 0.0000 61.0380 32.5319 173.5039 45 N 4.8967 8.5805 115.1681 50.9256 42.9540 176.1844 46 K 3.3571 8.9469 125.8245 59.8779 32.0779 178.3234 47 E 4.1265 9.7094 119.1007 58.4790 29.3182 178.8932 48 T 4.0320 8.6553 117.9115 66.0254 68.9529 176.6300 49 I 3.6771 7.7907 114.4151 64.4542 37.1789 177.4117 50 N 4.2273 7.9968 118.3941 56.4754 38.7551 176.5809 51 R 3.9476 7.7560 119.7238 60.4037 29.8767 177.1007 52 E 4.0954 8.5042 119.4079 57.8144 29.3924 178.4113 53 V 3.5038 8.0041 121.5697 66.8769 31.9862 177.7782 54 S 4.1981 8.8208 113.8051 60.7742 62.2142 175.4751 55 I 3.8293 8.0248 122.0055 63.2560 37.7868 178.1568 56 L 4.1403 8.0387 123.1630 58.0308 42.0014 178.7933 57 R 3.9408 7.8391 118.2797 59.6529 29.9063 177.8104 58 H 4.2472 8.3301 117.9204 59.3819 29.6855 176.7971 59 S 4.0673 8.4447 116.2324 61.4534 62.7795 175.5481 60 Y 4.0951 8.0058 123.6506 60.3307 38.4623 177.8706 61 Q 3.9952 8.2905 119.7442 59.7283 28.9674 178.6747 62 K 3.8245 8.0872 118.5596 59.7789 32.1413 179.0058 63 E 3.8080 7.8057 117.8874 59.3997 29.2704 179.2809 64 I 3.5431 7.4581 118.3357 64.3024 37.8963 177.8228 65 Q 4.0080 8.1882 117.6418 59.1325 28.6359 178.4547 66 A 4.1342 8.0579 123.3748 54.3815 18.5362 179.4849 67 K 3.4844 8.0197 115.7679 59.8298 32.1033 179.0297 68 E 3.9760 7.9355 119.3111 59.6183 29.3809 178.7059 69 T 3.9165 8.6939 116.8865 66.5709 68.5742 176.4973 70 M 3.9580 8.1005 120.2561 58.4403 32.0359 178.8674 71 K 3.8663 7.9426 119.5145 59.5238 32.2683 178.2002 72 E 3.9889 7.6545 119.5991 59.3686 29.6537 178.1680 73 V 3.8134 7.9479 118.8792 64.6744 31.3347 177.5828 74 L 3.7825 8.0901 117.4840 58.2615 41.4157 179.8276 75 S 4.1293 8.0032 114.5885 62.0296 62.6656 176.5048 76 D 4.3344 8.7925 121.8239 57.3629 40.5308 178.0470 77 N 4.2000 8.2731 116.9383 57.5201 38.7195 176.4081 78 M 4.0275 8.6138 120.3830 58.1286 31.9612 177.9534 79 E 4.0041 8.0663 120.5749 59.3363 29.9766 178.6016 80 V 3.5127 8.1798 118.4726 64.8309 31.3761 177.8192 81 L 3.8193 8.0038 117.9899 58.1941 41.3944 180.1663 82 S 4.1222 7.9428 114.4705 61.5134 62.5241 176.4146 83 D 4.3752 8.2377 120.7111 57.9929 40.5922 177.4556 84 H 4.5681 7.7929 112.0919 56.3285 28.9612 176.1450 85 I 3.8865 7.0671 121.0155 60.4804 35.6020 175.2107 86 V 3.7310 7.7685 124.3695 63.1376 32.0441 174.9016 87 I 4.2714 8.1600 115.5269 60.4357 39.7427 170.0450 88 E 3.4873 9.6229 127.7652 56.8190 30.4405 174.0558 89 G 4.3403 9.1120 118.8141 45.6412 0.0000 173.6168 90 L 4.7155 7.5148 119.2724 52.5969 45.1408 174.9499 91 S 4.6995 8.5632 119.2285 56.0971 64.2860 174.6414 92 A 3.9231 8.7309 129.1844 55.4217 17.9186 179.4157 93 E 3.8365 8.1116 117.4980 59.5853 29.5597 178.6282 94 E 3.9474 8.0722 117.2432 59.7190 29.9832 179.1396 95 I 3.8505 7.7826 118.9679 64.5848 37.1546 178.3541 96 I 3.7008 7.9783 120.7492 64.2360 36.8406 178.0667 97 K 3.9514 8.5085 120.8423 60.1642 31.5254 178.2223 98 M 4.2310 8.0920 117.9002 57.7928 31.9887 177.5006 99 G 3.7544 8.4164 103.8521 45.3937 0.0000 174.6717 100 E 4.3548 7.6981 119.8354 58.8176 30.4235 177.8474 101 T 4.0196 7.3585 114.4270 65.0146 69.0261 174.6221 102 V 4.2877 6.7921 120.0172 61.0482 34.5560 174.5283 *103 L 4.1259 8.4074 120.8486 54.6947 41.4527 176.6259 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 43 G 8.34 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 0.00 0.00 0.00 44 P 0.00 4.35 0.00 2.27 2.11 0.00 3.77 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.01 0.00 45 N 8.58 4.90 0.00 2.69 2.64 0.00 0.00 7.26 6.42 0.00 0.00 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 K 8.95 3.36 0.00 1.86 1.81 0.00 1.77 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.51 1.55 7.81 47 E 9.71 4.13 0.00 2.01 1.98 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 2.33 2.50 0.00 48 T 8.66 4.03 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 49 I 7.79 3.68 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 1.52 0.67 0.91 0.00 0.00 50 N 8.00 4.23 0.00 2.94 2.85 0.00 0.00 6.81 7.93 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 51 R 7.76 3.95 0.00 2.12 2.03 0.00 3.15 0.00 0.00 3.10 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 52 E 8.50 4.10 0.00 2.06 1.91 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 2.31 2.46 0.00 53 V 8.00 3.50 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 0.93 0.00 0.00 0.95 0.00 0.00 54 S 8.82 4.20 0.00 3.96 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 55 I 8.02 3.83 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 1.42 1.19 1.06 0.00 0.00 56 L 8.04 4.14 0.00 1.96 1.79 0.96 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 57 R 7.84 3.94 0.00 1.92 1.93 0.00 3.13 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 58 H 8.33 4.25 0.00 3.25 3.42 0.00 5.73 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 S 8.44 4.07 0.00 4.14 4.10 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 60 Y 8.01 4.10 0.00 3.11 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 61 Q 8.29 4.00 0.00 2.48 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.35 0.00 0.00 0.00 0.00 0.00 2.50 2.50 0.00 62 K 8.09 3.82 0.00 1.88 1.85 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.60 7.81 63 E 7.81 3.81 0.00 1.63 1.72 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 2.21 2.48 0.00 64 I 7.46 3.54 1.82 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.34 1.03 0.00 0.00 65 Q 8.19 4.01 0.00 2.16 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.76 0.00 0.00 0.00 0.00 0.00 2.41 2.58 0.00 66 A 8.06 4.13 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 67 K 8.02 3.48 0.00 1.85 1.90 0.00 1.66 0.00 0.00 1.55 0.00 0.00 2.87 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.58 7.81 68 E 7.94 3.98 0.00 1.98 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 0.00 2.30 2.34 0.00 69 T 8.69 3.92 4.23 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 1.20 0.00 0.00 70 M 8.10 3.96 0.00 2.04 2.13 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.62 0.00 71 K 7.94 3.87 0.00 1.98 1.99 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.44 7.81 72 E 7.65 3.99 0.00 1.95 1.98 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 2.33 2.19 0.00 73 V 7.95 3.81 2.29 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 1.40 0.00 0.00 0.92 0.00 0.00 74 L 8.09 3.78 0.00 1.69 1.74 0.91 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 75 S 8.00 4.13 0.00 3.99 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 76 D 8.79 4.33 0.00 2.70 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 N 8.27 4.20 0.00 2.74 2.84 0.00 0.00 7.04 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 78 M 8.61 4.03 0.00 2.00 2.30 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.75 0.00 79 E 8.07 4.00 0.00 1.94 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 2.33 2.24 0.00 80 V 8.18 3.51 2.20 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 0.77 0.00 0.00 0.93 0.00 0.00 81 L 8.00 3.82 0.00 1.78 1.69 1.01 1.20 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 82 S 7.94 4.12 0.00 3.85 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 83 D 8.24 4.38 0.00 2.71 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 84 H 7.79 4.57 0.00 3.14 3.33 0.00 5.71 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 I 7.07 3.89 2.05 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 1.18 0.74 0.94 0.00 0.00 86 V 7.77 3.73 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 0.83 0.00 0.00 0.97 0.00 0.00 87 I 8.16 4.27 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 1.46 0.46 0.99 0.00 0.00 88 E 9.62 3.49 0.00 2.09 1.94 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 2.19 2.28 0.00 89 G 9.11 4.34 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 0.00 90 L 7.51 4.72 0.00 1.54 1.50 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 91 S 8.56 4.70 0.00 3.90 3.87 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 0.00 0.00 0.00 92 A 8.73 3.92 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 93 E 8.11 3.84 0.00 2.09 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 2.31 2.35 0.00 94 E 8.07 3.95 0.00 2.07 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 2.37 0.00 95 I 7.78 3.85 2.05 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 1.64 1.41 0.91 0.00 0.00 96 I 7.98 3.70 2.06 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 0.91 0.91 0.00 0.00 97 K 8.51 3.95 0.00 1.76 1.95 0.00 1.63 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.48 7.81 98 M 8.09 4.23 0.00 2.32 2.04 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.59 0.00 99 G 8.42 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 E 7.70 4.35 0.00 2.09 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 2.25 2.48 0.00 101 T 7.36 4.02 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 0.00 102 V 6.79 4.29 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 0.66 0.00 0.00 0.93 0.00 0.00 *103 L 8.41 4.13 0.00 1.43 1.52 0.92 0.75 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 * Residues marked with a * may have inaccurate shift predictions.