NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.9295 8.3549 109.7367 45.3471 0.0000 174.6343 3 K 3.9026 7.8498 119.0643 54.7461 32.8713 171.0005 4 V 4.4925 8.7184 122.9962 61.3414 35.4919 173.5490 5 Y 5.0724 8.8293 124.0813 56.1424 41.0431 174.6544 6 K 4.5468 8.4291 122.0017 54.4677 35.7165 174.7360 7 K 4.9140 8.4864 124.2257 54.5253 34.7450 175.5619 8 V 4.4806 8.7818 124.4073 61.0096 34.7383 173.6224 9 E 5.0398 8.7956 128.0208 54.8430 30.7511 174.7606 10 L 4.8949 9.3498 126.6711 52.8260 46.1097 175.9175 11 V 4.7216 8.3319 120.3412 61.2411 33.4319 174.9656 12 G 4.4298 8.9822 116.4155 44.9225 0.0000 171.7546 13 T 5.3935 8.0733 112.6123 60.1068 72.1851 172.9551 14 S 4.6633 8.6575 114.9645 57.9704 65.9789 175.6537 15 E 4.6025 9.0900 124.2088 57.8421 30.0803 177.8184 16 E 4.2290 8.5108 118.8207 57.0754 30.4251 176.4630 17 G 3.2534 7.0198 103.7585 44.5793 0.0000 172.8961 18 L 3.8415 7.4281 118.0374 57.7420 41.5590 179.1811 19 E 3.8958 8.0082 117.7980 59.4251 29.3670 179.1693 20 A 3.9300 7.8860 120.0019 54.9422 18.5142 179.3092 21 A 3.9115 7.8401 118.9394 55.3319 18.4850 179.9321 22 I 3.4691 7.6963 118.1623 64.6888 37.1496 178.7333 23 Q 3.9014 8.3163 118.9462 58.7456 28.4780 178.7678 24 A 3.9358 8.3026 121.9501 55.0133 18.3475 179.5037 25 A 3.8626 7.8183 118.6952 55.4158 18.5364 179.7689 26 L 3.8347 7.9207 117.2468 57.5964 41.3960 179.5752 27 A 3.9155 8.0933 120.4380 55.2552 18.5169 179.4043 28 R 3.9132 7.9408 116.9533 59.3062 30.1436 178.4385 29 A 3.9337 8.1674 121.1226 55.0844 18.2228 179.4086 30 R 4.2807 7.6983 111.9649 58.0398 29.7857 178.6037 31 K 4.0979 7.6370 119.5975 58.9999 32.0920 177.6227 32 T 4.3568 7.6848 113.5385 63.7613 70.7182 174.3480 33 L 4.3451 7.9792 120.1724 52.9785 43.2395 175.9867 34 R 4.5109 7.7994 119.8401 55.5896 33.2491 174.9026 35 H 4.1712 8.4908 113.4500 56.9137 25.9282 175.3769 36 L 4.5247 8.1103 118.7737 55.3864 42.2847 175.8655 37 D 5.2143 9.3109 122.7261 55.2427 43.0603 176.2641 38 W 5.5206 7.8764 113.3335 55.0573 32.0007 172.9503 39 F 5.3719 8.3681 114.2086 55.2488 41.0805 173.9943 40 E 4.7030 9.2603 118.7610 54.6025 33.2382 175.1446 41 V 4.1783 8.7963 125.6054 63.1177 31.5911 175.5954 42 K 4.4684 9.1079 127.7773 57.9994 33.6311 176.6104 43 E 4.7762 7.7859 117.9711 55.1170 33.1343 174.0783 44 I 5.0885 8.4493 126.3739 59.7239 40.1038 174.7249 45 R 4.6328 9.0846 123.6294 55.8783 33.4294 173.5244 46 G 4.1333 8.0768 105.2406 46.8941 0.0000 172.5733 47 T 4.7381 7.9930 110.0061 60.0950 71.5069 173.6921 48 I 4.6942 8.2537 123.0833 59.8070 39.8172 175.3330 49 G 4.3505 8.9822 116.1614 43.7537 0.0000 172.7657 50 E 3.8716 8.8903 118.4612 58.3428 29.7519 178.0357 51 A 4.7120 8.1013 120.3852 51.6269 20.6084 176.9015 52 G 3.9462 7.6292 107.1279 45.5555 0.0000 175.9550 53 V 3.6363 8.1850 124.9651 63.3793 31.6471 175.2705 54 K 4.1627 8.6623 129.6097 58.4534 32.7100 176.2932 55 E 4.7449 7.7015 118.9051 54.5455 33.1660 173.3769 56 Y 4.6908 9.2447 125.4047 57.6405 39.8482 174.5080 57 Q 5.0029 9.6262 122.7505 54.1780 32.4817 174.5082 58 V 4.7203 8.8283 125.4030 61.0109 33.8485 174.5841 59 V 4.4254 8.7835 129.8817 62.3541 32.8027 174.6098 60 L 5.2119 9.2404 129.5562 53.5633 45.9291 174.3941 61 E 4.9501 9.3335 125.8895 55.0273 31.7374 175.0152 62 V 4.4684 9.0537 124.6663 61.0029 34.1432 174.2238 63 G 2.9196 8.0878 116.0726 43.9351 0.0000 172.3078 64 F 5.6748 8.4574 118.7462 54.9743 41.9190 173.6700 65 R 4.0971 8.8769 122.0560 56.2913 30.4224 176.0452 66 L 4.4716 8.3544 126.8837 54.3884 42.6017 176.8501 67 E 4.2588 8.8632 122.2347 55.4570 30.7813 176.4717 68 E 3.4669 8.5150 115.0331 58.3111 27.6678 175.8113 *69 T 4.1354 7.9008 117.1583 61.7123 69.2274 173.7601 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 2 G 8.35 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 3 K 7.85 3.90 0.00 1.84 1.43 0.00 1.68 0.00 0.00 1.67 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.36 1.46 7.81 4 V 8.72 4.49 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 1.09 0.00 0.00 0.91 0.00 0.00 5 Y 8.83 5.07 0.00 3.01 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 6 K 8.43 4.55 0.00 1.44 0.74 0.00 1.57 0.00 0.00 1.77 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.15 1.27 7.81 7 K 8.49 4.91 0.00 1.63 1.64 0.00 2.05 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.12 1.38 7.81 8 V 8.78 4.48 2.26 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 0.80 0.00 0.00 1.08 0.00 0.00 9 E 8.80 5.04 0.00 2.02 1.85 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 2.22 2.44 0.00 10 L 9.35 4.89 0.00 1.52 1.47 0.87 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.33 4.72 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 0.80 0.00 0.00 0.93 0.00 0.00 12 G 8.98 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 13 T 8.07 5.39 4.26 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 1.26 0.00 0.00 14 S 8.66 4.66 0.00 3.91 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 15 E 9.09 4.60 0.00 2.03 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 0.00 2.45 2.34 0.00 16 E 8.51 4.23 0.00 1.95 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 2.33 2.27 0.00 17 G 7.02 3.25 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 0.00 18 L 7.43 3.84 0.00 1.57 1.64 0.88 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.01 3.90 0.00 1.99 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 2.39 2.43 0.00 20 A 7.89 3.93 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 21 A 7.84 3.91 1.46 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 0.00 0.00 0.00 0.00 0.00 0.00 22 I 7.70 3.47 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.91 0.25 0.00 0.00 23 Q 8.32 3.90 0.00 2.12 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.42 2.48 0.00 24 A 8.30 3.94 1.36 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 0.00 0.00 0.00 25 A 7.82 3.86 1.32 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 0.00 0.00 0.00 26 L 7.92 3.83 0.00 1.74 1.66 0.70 0.60 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 27 A 8.09 3.92 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 28 R 7.94 3.91 0.00 1.92 2.02 0.00 3.12 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 29 A 8.17 3.93 1.31 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 0.00 0.00 30 R 7.70 4.28 0.00 1.95 2.02 0.00 3.05 0.00 0.00 3.20 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.62 0.00 31 K 7.64 4.10 0.00 1.81 1.87 0.00 1.62 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.44 1.65 7.81 32 T 7.68 4.36 4.17 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 1.11 0.00 0.00 33 L 7.98 4.35 0.00 1.25 0.69 0.51 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 34 R 7.80 4.51 0.00 1.67 1.52 0.00 3.25 0.00 0.00 3.17 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.51 0.00 35 H 8.49 4.17 0.00 3.66 3.49 0.00 5.62 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 L 8.11 4.52 0.00 1.67 1.67 0.86 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 37 D 9.31 5.21 0.00 3.16 3.09 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 0.00 0.00 0.00 0.00 38 W 7.88 5.52 0.00 3.25 3.18 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 39 F 8.37 5.37 0.00 3.03 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 40 E 9.26 4.70 0.00 1.99 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 2.41 2.55 0.00 41 V 8.80 4.18 2.19 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 0.86 0.00 0.00 1.12 0.00 0.00 42 K 9.11 4.47 0.00 1.67 1.87 0.00 1.85 0.00 0.00 1.67 0.00 0.00 2.92 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.62 1.55 7.81 43 E 7.79 4.78 0.00 2.03 1.75 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 2.29 2.34 0.00 44 I 8.45 5.09 1.92 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.83 0.99 0.00 0.00 45 R 9.08 4.63 0.00 1.78 2.02 0.00 3.02 0.00 0.00 3.18 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 46 G 8.08 4.13 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 T 7.99 4.74 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 1.18 0.00 0.00 48 I 8.25 4.69 1.84 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 1.22 0.62 0.92 0.00 0.00 49 G 8.98 4.35 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 50 E 8.89 3.87 0.00 1.91 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 2.28 2.36 0.00 51 A 8.10 4.71 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 52 G 7.63 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 53 V 8.18 3.64 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.33 0.00 0.00 0.68 0.00 0.00 54 K 8.66 4.16 0.00 1.83 1.86 0.00 1.76 0.00 0.00 1.60 0.00 0.00 2.85 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.38 1.35 7.81 55 E 7.70 4.74 0.00 2.03 1.67 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 2.20 2.27 0.00 56 Y 9.24 4.69 0.00 3.11 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 57 Q 9.63 5.00 0.00 2.04 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.75 0.00 0.00 0.00 0.00 0.00 2.27 2.27 0.00 58 V 8.83 4.72 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 0.94 0.00 0.00 0.95 0.00 0.00 59 V 8.78 4.43 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 0.89 0.00 0.00 0.95 0.00 0.00 60 L 9.24 5.21 0.00 1.68 1.40 1.11 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 61 E 9.33 4.95 0.00 1.98 1.82 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 2.28 2.27 0.00 62 V 9.05 4.47 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 1.01 0.00 0.00 0.90 0.00 0.00 63 G 8.09 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 0.00 0.00 0.00 64 F 8.46 5.67 0.00 3.37 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 65 R 8.88 4.10 0.00 1.92 1.90 0.00 3.04 0.00 0.00 3.14 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.06 0.00 66 L 8.35 4.47 0.00 1.61 1.55 0.87 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 67 E 8.86 4.26 0.00 1.99 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 0.00 2.33 2.39 0.00 68 E 8.52 3.47 0.00 2.15 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 2.21 2.28 0.00 *69 T 7.90 4.14 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 * Residues marked with a * may have inaccurate shift predictions.