NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4198 8.1927 115.4111 57.5601 64.6994 173.9761 2 E 3.6615 8.6962 120.4721 58.7604 29.0059 177.1897 3 L 3.9107 8.6837 121.2936 58.2763 42.6012 177.9037 4 D 4.3299 8.4877 118.9964 57.4750 39.5691 178.8074 5 A 3.9459 7.8320 120.5348 55.2091 18.2631 179.6320 6 K 4.1578 7.7703 115.5430 58.8736 32.4313 179.0140 7 L 4.1383 8.1423 121.4880 57.9167 42.0322 178.5464 8 N 4.8281 8.8006 118.3317 55.5839 38.2738 177.0693 9 K 4.2620 7.3999 118.2552 58.0708 32.1998 178.3020 10 L 4.3814 7.5736 118.7274 54.7352 42.0193 177.3422 11 G 4.0718 8.2274 106.4081 45.0382 0.0000 173.2761 12 V 4.2007 7.7953 120.2658 60.8101 32.8781 174.5637 13 D 5.3023 8.4182 125.5945 51.7860 42.1128 175.3916 14 R 4.6253 7.9044 116.0724 55.6017 31.3607 175.6333 15 I 4.2270 8.4110 118.3992 61.1686 39.1462 176.5759 16 A 5.0485 8.4142 126.8877 51.1602 20.3311 174.7904 17 I 4.5687 8.9631 121.5784 59.8506 40.6674 174.5298 18 S 5.0631 8.6280 119.9905 55.4050 64.7252 171.5556 19 P 4.8378 0.0000 0.0000 63.5556 31.9579 175.0634 20 Y 5.1168 7.2518 114.5860 56.8780 41.0569 175.7590 21 K 3.9244 8.3973 123.7237 57.1978 32.8713 176.1792 22 Q 3.9705 9.0048 132.8207 56.8624 28.6941 173.9165 23 W 4.6670 7.5682 115.9043 56.9983 29.6537 176.0099 24 T 4.5031 8.5132 112.6336 61.0395 69.6970 173.4153 25 R 4.6357 8.1087 117.6195 55.1939 32.7259 174.0308 26 G 4.1366 9.0231 106.7414 43.4186 0.0000 172.6036 27 Y 4.3876 8.3639 120.9167 59.6295 38.9640 176.3487 28 M 3.0963 8.4410 126.0428 55.0529 30.2186 177.0379 29 E 4.0460 8.0220 119.2237 55.1987 30.1381 174.8464 30 P 4.2174 0.0000 0.0000 64.2958 31.7407 176.7537 31 G 3.9538 8.8267 108.7305 45.2245 0.0000 173.3714 32 N 4.4863 7.3043 116.3708 52.8534 39.3746 174.5824 33 I 4.0789 8.4814 123.8258 60.4138 38.1464 174.7870 34 G 4.2796 8.2508 110.2936 44.3754 0.0000 172.9160 35 N 5.1143 8.4832 110.9123 52.8552 40.1854 174.6836 36 G 4.2737 8.1413 109.2442 44.0128 0.0000 172.0187 37 Y 4.9359 7.5366 115.5310 55.4958 40.9873 174.0531 38 V 4.4336 8.3467 119.0989 61.2918 34.1246 174.2045 39 T 4.6426 8.2259 120.1926 60.6562 70.3433 171.3774 40 G 4.1004 7.8423 109.5326 45.0910 0.0000 171.8497 41 L 4.7271 8.3784 118.4541 52.6061 44.3411 176.2639 42 K 4.5689 8.5396 123.6409 54.6120 34.9592 175.6796 43 V 4.4681 8.2540 118.5316 60.0016 35.1823 174.1700 44 D 4.7290 8.3983 122.5839 53.3485 44.8112 174.3320 45 A 4.7364 8.0847 122.7161 51.0943 22.2840 175.9916 46 G 4.0831 8.2395 108.6920 45.4420 0.0000 173.8378 47 V 4.4825 8.2250 121.1177 59.6160 35.3107 174.5281 48 R 4.7925 7.9122 115.8204 56.7535 32.9669 174.1596 49 D 4.8563 8.1394 112.9772 54.8107 39.7006 176.8374 *64 R 4.2353 8.4115 117.0371 56.7965 31.6778 176.4907 65 A 4.2201 7.4064 121.6322 53.5472 19.4780 179.4517 66 E 3.7766 7.9527 115.6334 59.6011 29.6479 179.5078 67 T 4.0352 7.9139 106.9390 62.9174 68.9735 173.5267 68 K 4.5024 8.3365 123.9547 55.8063 35.3557 178.3908 69 N 3.9806 9.2752 122.3314 54.2992 37.4896 176.6892 70 A 4.2090 5.8000 127.2429 52.3276 19.3256 177.9366 71 Y 4.3621 8.6891 125.4188 57.2727 39.6972 175.7306 72 I 4.4948 7.7967 122.4960 59.8791 37.8046 175.4037 73 G 2.7207 5.9115 108.0172 45.9502 0.0000 172.4054 74 Q 3.4188 8.1226 115.4150 56.7766 26.3505 173.9788 75 I 4.2481 7.5006 116.2320 59.7688 39.1273 175.6713 76 N 4.6275 8.3366 121.0042 51.9940 38.2857 174.7986 77 M 4.2408 8.3039 123.4461 55.1639 33.1645 175.5569 78 T 4.5511 8.1475 120.9314 61.9124 71.2636 173.9093 79 T 4.1691 8.4896 123.3862 62.9047 69.4299 173.9974 80 A 4.7900 8.3796 127.7810 50.2791 21.8476 176.1704 81 S 4.2341 8.4746 115.5391 58.4742 63.2791 173.8942 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 S 8.19 4.42 0.00 4.01 4.08 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 2 E 8.70 3.66 0.00 2.09 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 2.39 2.36 0.00 3 L 8.68 3.91 0.00 1.78 1.63 0.91 1.25 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 4 D 8.49 4.33 0.00 2.78 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 5 A 7.83 3.95 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 6 K 7.77 4.16 0.00 1.87 1.87 0.00 1.69 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.57 7.81 7 L 8.14 4.14 0.00 2.00 1.70 0.90 0.54 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 8 N 8.80 4.83 0.00 2.76 2.84 0.00 0.00 6.74 8.34 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 9 K 7.40 4.26 0.00 1.88 1.86 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.47 1.64 7.81 10 L 7.57 4.38 0.00 1.78 1.71 0.95 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 11 G 8.23 4.07 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 0.00 0.00 0.00 12 V 7.80 4.20 2.05 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 0.98 0.00 0.00 0.91 0.00 0.00 13 D 8.42 5.30 0.00 2.75 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 R 7.90 4.63 0.00 1.70 1.79 0.00 3.11 0.00 0.00 3.14 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.56 0.00 15 I 8.41 4.23 1.95 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 1.16 1.02 0.92 0.00 0.00 16 A 8.41 5.05 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 17 I 8.96 4.57 1.88 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 1.12 1.21 0.92 0.00 0.00 18 S 8.63 5.06 0.00 3.81 3.72 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 P 0.00 4.84 0.00 2.26 2.11 0.00 3.52 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 1.78 2.08 0.00 20 Y 7.25 5.12 0.00 2.99 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 K 8.40 3.92 0.00 1.54 1.36 0.00 1.70 0.00 0.00 1.54 0.00 0.00 2.94 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.22 1.28 7.81 22 Q 9.00 3.97 0.00 2.05 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.71 0.00 0.00 0.00 0.00 0.00 2.28 2.36 0.00 23 W 7.57 4.67 0.00 3.73 3.15 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 24 T 8.51 4.50 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 1.29 0.00 0.00 25 R 8.11 4.64 0.00 2.12 1.93 0.00 2.38 0.00 0.00 2.93 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.62 0.00 26 G 9.02 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 Y 8.36 4.39 0.00 2.89 2.93 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 28 M 8.44 3.10 0.00 1.97 2.23 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 1.49 1.87 0.00 29 E 8.02 4.05 0.00 2.09 1.84 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 2.31 2.23 0.00 30 P 0.00 4.22 0.00 2.17 2.04 0.00 3.73 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 31 G 8.83 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 32 N 7.30 4.49 0.00 2.79 2.76 0.00 0.00 6.91 7.33 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 33 I 8.48 4.08 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 1.23 0.77 0.91 0.00 0.00 34 G 8.25 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 0.00 0.00 0.00 0.00 35 N 8.48 5.11 0.00 2.92 2.81 0.00 0.00 6.75 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 G 8.14 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.54 4.94 0.00 2.76 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 V 8.35 4.43 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.97 0.00 0.00 39 T 8.23 4.64 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 1.24 0.00 0.00 40 G 7.84 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 0.00 0.00 0.00 41 L 8.38 4.73 0.00 1.57 1.55 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 42 K 8.54 4.57 0.00 1.64 1.62 0.00 1.73 0.00 0.00 1.79 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.31 1.38 7.81 43 V 8.25 4.47 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 0.78 0.00 0.00 0.93 0.00 0.00 44 D 8.40 4.73 0.00 2.61 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.08 4.74 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.24 4.08 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 0.00 0.00 0.00 47 V 8.23 4.48 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 0.79 0.00 0.00 0.93 0.00 0.00 48 R 7.91 4.79 0.00 1.77 1.69 0.00 3.18 0.00 0.00 3.28 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.18 0.00 49 D 8.14 4.86 0.00 2.71 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 *64 R 8.41 4.24 0.00 1.85 2.07 0.00 3.42 0.00 0.00 3.89 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.54 0.00 65 A 7.41 4.22 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.95 3.78 0.00 1.88 1.89 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 2.25 2.30 0.00 67 T 7.91 4.04 4.36 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 68 K 8.34 4.50 0.00 1.81 1.75 0.00 1.85 0.00 0.00 1.72 0.00 0.00 3.08 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.40 1.46 7.81 69 N 9.28 3.98 0.00 3.10 2.47 0.00 0.00 6.94 7.35 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 70 A 5.80 4.21 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 Y 8.69 4.36 0.00 2.88 2.84 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 72 I 7.80 4.49 1.78 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 1.26 0.70 0.89 0.00 0.00 73 G 5.91 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 0.00 0.00 0.00 74 Q 8.12 3.42 0.00 2.18 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.75 0.00 0.00 0.00 0.00 0.00 2.27 2.48 0.00 75 I 7.50 4.25 1.94 0.00 0.00 0.78 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 0.36 0.84 0.00 0.00 76 N 8.34 4.63 0.00 2.66 2.76 0.00 0.00 6.92 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 77 M 8.30 4.24 0.00 1.95 1.91 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 2.54 2.52 0.00 78 T 8.15 4.55 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 1.21 0.00 0.00 79 T 8.49 4.17 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 80 A 8.38 4.79 1.17 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 0.00 0.00 0.00 0.00 0.00 81 S 8.47 4.23 0.00 3.92 3.76 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 * Residues marked with a * may have inaccurate shift predictions.