NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 H 4.8091 8.4444 117.8552 55.1056 30.1784 172.7087 8 L 3.8210 8.5147 125.9518 53.9657 42.6285 175.2771 9 D 4.3969 9.6293 125.5074 54.5880 43.5317 175.2089 10 P 4.2969 0.0000 0.0000 66.3165 31.3382 179.7494 11 K 4.0243 8.2401 122.0357 59.7772 31.7262 181.6056 12 V 3.7744 8.0873 119.8449 65.6349 31.4474 178.0291 13 R 3.9203 8.4225 121.3185 60.1108 29.8926 179.0584 14 E 3.9901 8.2945 117.9982 61.1522 29.7994 180.5121 15 E 4.1350 8.4444 120.6674 58.9513 29.5964 178.7648 16 A 4.0211 8.7271 121.2787 55.1117 18.4043 179.8420 17 R 3.8391 8.0942 116.5986 59.3282 29.9937 179.2332 18 R 3.8661 7.9570 118.4440 59.6204 30.1389 178.8450 19 R 3.9517 8.0876 117.8156 59.2624 30.0253 179.0576 20 L 4.0996 8.2718 118.8359 57.1875 41.5638 179.2586 21 L 3.9815 7.9212 120.8666 58.1818 41.9786 179.2035 22 S 4.1157 7.9023 114.9662 61.5031 62.7060 176.4104 23 A 4.0621 8.1268 123.5218 55.0067 18.0582 179.6312 24 K 3.9807 8.5975 118.7129 59.6104 32.0888 179.2630 25 G 3.6482 8.0122 104.9024 48.0636 0.0000 174.7567 26 H 4.3408 8.6794 121.0343 58.9986 29.9138 177.0358 27 L 3.9587 8.3006 122.4722 58.3545 41.8615 178.8877 28 E 4.1591 8.3939 118.5591 59.0797 29.0853 179.5420 29 G 3.6390 7.8311 105.5104 47.7935 0.0000 175.6071 30 I 3.9299 7.5837 120.8615 63.9883 37.4962 177.9338 31 L 4.1901 7.8165 119.9583 57.6106 41.2733 180.7330 32 R 4.2878 7.7859 116.7925 56.5336 30.1938 177.3086 *34 L 4.3436 7.9856 118.9585 54.4635 43.5654 178.5248 35 E 4.2034 8.2335 115.0817 57.3123 29.3847 176.1145 36 D 4.8366 7.3227 119.1131 52.5163 42.7390 176.2404 37 E 4.0345 8.7063 124.4675 58.7965 29.7829 177.6479 38 K 4.2717 7.9930 117.9342 54.8404 33.1220 176.0120 39 V 4.0902 7.9055 122.9428 61.1834 34.2751 175.3779 40 Y 4.5621 7.8226 124.9876 56.2914 36.8503 175.6096 41 C 3.8214 8.5507 122.4139 63.0532 28.5817 175.9520 42 V 3.6060 7.8604 118.8787 65.7804 31.0490 177.4272 43 D 4.3361 8.3117 118.2008 57.2523 41.0519 178.3662 44 V 3.6143 7.8126 118.3309 65.9976 31.6002 177.8301 45 L 3.9988 8.2792 119.0620 57.7460 41.4629 179.7004 46 K 4.0330 8.2053 118.4826 59.5029 31.9515 179.5080 47 Q 4.0530 8.4498 118.7031 58.8316 28.6070 178.7047 48 L 3.9516 8.1247 120.1499 57.8484 41.6105 179.7968 49 K 3.9811 8.1472 118.1774 59.1944 31.9158 179.3089 50 A 3.9688 7.9907 121.1607 55.2340 18.3641 179.8961 51 V 3.5064 7.8438 116.8022 66.1391 31.4800 178.0896 52 E 4.0901 8.4452 118.6030 59.2941 29.2410 179.6070 53 G 3.5529 8.3302 105.8743 47.6746 0.0000 175.7185 54 A 4.0586 8.0742 123.2123 54.8030 18.2964 179.7960 55 L 3.9412 8.0767 117.5779 58.0925 41.6449 179.3549 56 D 4.3591 8.3637 119.0511 57.5491 40.4994 179.1875 57 R 3.9272 7.8208 117.7289 59.1363 30.0895 178.9939 58 V 3.8533 7.5302 117.5427 65.8321 31.8637 178.0361 59 G 3.8058 8.3573 105.7769 47.5516 0.0000 175.3761 60 E 4.0830 8.2185 118.3553 56.9588 29.2980 178.3804 *62 V 3.9715 7.7084 119.0767 62.4096 33.6425 177.1969 63 L 3.9656 8.1173 120.9504 58.1363 41.8825 178.7108 64 R 3.8631 8.1681 118.4866 59.6433 29.9711 178.3148 65 A 4.0197 7.9459 119.8576 55.4027 18.2323 178.9041 66 H 4.1313 8.2098 115.9236 59.1719 30.2177 177.3873 67 L 4.1345 8.4067 121.1805 57.7978 41.4314 179.1603 68 K 3.8265 8.3058 117.2612 59.6544 32.0456 178.2210 69 D 4.4319 7.7591 117.0048 58.3484 41.4964 176.3895 70 H 4.5744 7.5255 113.9809 54.7483 31.0020 174.6489 *80 V 4.0782 8.1108 117.6611 63.6798 33.1730 177.5137 81 E 4.0153 8.4204 120.9526 60.3072 29.2524 179.9196 82 E 3.9785 8.1137 117.2522 61.6811 29.8664 180.2043 83 I 3.8055 7.8810 120.3297 64.4972 36.8372 178.0778 84 V 3.6329 8.2516 122.1997 66.9283 31.5640 178.4640 85 E 4.2114 8.3922 119.2902 62.0619 29.8304 181.1882 86 E 4.4009 8.3569 119.6306 60.5922 29.7222 181.1397 87 L 4.2170 7.7438 117.5547 55.9979 41.6702 178.0041 *89 E 4.1880 8.1033 119.1905 55.7607 31.3208 176.8620 90 A 4.1546 8.0489 120.6248 55.1819 18.7597 178.8149 91 L 4.0662 8.6759 117.6832 58.5036 41.8889 178.1391 92 K 4.2006 7.9068 122.4721 54.7717 31.6906 178.3855 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 7 H 8.44 4.81 0.00 3.14 3.29 0.00 5.70 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 L 8.51 3.82 0.00 1.67 1.59 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 9 D 9.63 4.40 0.00 2.83 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 P 0.00 4.30 0.00 2.20 2.09 0.00 3.66 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.17 0.00 11 K 8.24 4.02 0.00 1.76 1.81 0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.84 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.44 1.06 7.81 12 V 8.09 3.77 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 0.93 0.00 0.00 0.96 0.00 0.00 13 R 8.42 3.92 0.00 2.10 2.09 0.00 3.14 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 14 E 8.29 3.99 0.00 2.03 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 2.24 2.18 0.00 15 E 8.44 4.13 0.00 2.07 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 2.31 2.37 0.00 16 A 8.73 4.02 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.09 3.84 0.00 2.05 1.99 0.00 3.30 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.78 0.00 18 R 7.96 3.87 0.00 2.01 2.06 0.00 3.09 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 1.63 1.67 0.00 19 R 8.09 3.95 0.00 1.91 1.96 0.00 3.18 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.79 0.00 20 L 8.27 4.10 0.00 1.68 1.71 0.92 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 21 L 7.92 3.98 0.00 1.92 1.83 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 22 S 7.90 4.12 0.00 4.03 3.90 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 0.00 0.00 0.00 0.00 23 A 8.13 4.06 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.60 3.98 0.00 1.90 2.00 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.46 7.81 25 G 8.01 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 H 8.68 4.34 0.00 3.31 3.44 0.00 5.62 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 L 8.30 3.96 0.00 1.96 1.82 0.90 1.07 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 28 E 8.39 4.16 0.00 2.26 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 2.34 2.48 0.00 29 G 7.83 3.64 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 0.00 0.00 0.00 30 I 7.58 3.93 2.01 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 1.65 0.79 0.92 0.00 0.00 31 L 7.82 4.19 0.00 1.87 1.72 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 32 R 7.79 4.29 0.00 1.82 2.09 0.00 3.30 0.00 0.00 3.24 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 *34 L 7.99 4.34 0.00 1.92 1.73 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 35 E 8.23 4.20 0.00 2.08 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 2.34 2.55 0.00 36 D 7.32 4.84 0.00 2.55 2.49 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 37 E 8.71 4.03 0.00 1.96 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 2.29 2.31 0.00 38 K 7.99 4.27 0.00 1.70 1.51 0.00 1.63 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.33 1.30 7.81 39 V 7.91 4.09 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 0.80 0.00 0.00 0.85 0.00 0.00 40 Y 7.82 4.56 0.00 3.08 2.85 0.00 0.00 0.00 0.00 0.00 0.00 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 8.55 3.82 0.00 2.99 3.04 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.86 3.61 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 1.05 0.00 0.00 0.95 0.00 0.00 43 D 8.31 4.34 0.00 2.85 2.94 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 44 V 7.81 3.61 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 1.10 0.00 0.00 1.01 0.00 0.00 45 L 8.28 4.00 0.00 1.89 1.71 0.93 1.01 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 46 K 8.21 4.03 0.00 2.01 1.87 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.67 7.81 47 Q 8.45 4.05 0.00 2.19 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.80 2.60 0.00 48 L 8.12 3.95 0.00 1.85 1.70 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 49 K 8.15 3.98 0.00 1.92 1.86 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.75 1.60 7.81 50 A 7.99 3.97 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 51 V 7.84 3.51 2.13 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 0.99 0.00 0.00 0.71 0.00 0.00 52 E 8.45 4.09 0.00 2.22 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 2.32 2.41 0.00 53 G 8.33 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.07 4.06 1.39 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 0.00 0.00 0.00 55 L 8.08 3.94 0.00 1.87 1.72 0.91 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 56 D 8.36 4.36 0.00 2.88 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 57 R 7.82 3.93 0.00 1.96 2.00 0.00 3.17 0.00 0.00 3.15 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.87 0.00 58 V 7.53 3.85 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 0.81 0.00 0.00 1.01 0.00 0.00 59 G 8.36 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 60 E 8.22 4.08 0.00 2.12 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 0.00 2.31 2.32 0.00 *62 V 7.71 3.97 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 0.90 0.00 0.00 0.99 0.00 0.00 63 L 8.12 3.97 0.00 1.89 1.86 0.96 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 64 R 8.17 3.86 0.00 2.04 1.93 0.00 3.15 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 1.67 0.00 65 A 7.95 4.02 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 66 H 8.21 4.13 0.00 3.22 3.61 0.00 5.95 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 L 8.41 4.13 0.00 1.85 1.70 0.94 0.73 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 68 K 8.31 3.83 0.00 1.65 1.89 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.72 7.81 69 D 7.76 4.43 0.00 2.77 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 H 7.53 4.57 0.00 3.18 3.20 0.00 5.74 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 *80 V 8.11 4.08 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 1.07 0.00 0.00 0.92 0.00 0.00 81 E 8.42 4.02 0.00 2.01 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 2.40 2.34 0.00 82 E 8.11 3.98 0.00 1.97 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 2.32 1.97 0.00 83 I 7.88 3.81 1.97 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.50 0.70 0.00 0.00 84 V 8.25 3.63 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 0.78 0.00 0.00 0.96 0.00 0.00 85 E 8.39 4.21 0.00 2.08 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 2.27 2.21 0.00 86 E 8.36 4.40 0.00 1.96 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 2.24 2.19 0.00 87 L 7.74 4.22 0.00 1.82 1.84 0.96 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 *89 E 8.10 4.19 0.00 2.14 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 0.00 2.19 2.32 0.00 90 A 8.05 4.15 1.35 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 91 L 8.68 4.07 0.00 1.60 1.74 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 92 K 7.91 4.20 0.00 1.77 1.58 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.36 1.00 7.81 * Residues marked with a * may have inaccurate shift predictions.