NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 Q 4.4024 8.2027 121.0362 55.8007 30.0576 173.0781 3 S 5.0523 8.6088 120.1591 55.9053 64.2709 172.1707 4 I 4.7250 8.1404 124.5418 59.3454 40.8287 172.3400 5 N 5.2342 8.6124 120.8433 52.4573 39.0360 176.1298 6 F 4.3467 8.9961 116.8938 60.5072 37.7376 178.4669 *7 R 4.0626 6.6245 120.5897 61.5733 29.4663 181.3795 8 T 3.9780 7.7630 115.9828 66.4169 68.2096 176.2236 9 A 3.9817 7.9704 121.7548 55.3004 18.6316 179.8021 10 R 4.1551 8.6964 113.8051 58.7712 29.6379 178.7744 11 G 3.7492 8.1052 106.5582 46.5467 0.0000 173.6600 12 N 5.1298 8.0249 116.8653 51.6875 39.5097 175.7753 13 L 4.0311 7.8379 121.9534 58.2160 42.7267 177.6183 14 S 4.1153 8.0612 114.7660 61.8409 62.7679 176.4777 15 E 4.1015 8.2671 123.0893 59.7731 29.1610 180.1611 16 V 3.6350 7.6767 119.5755 66.1816 31.8038 180.9387 17 L 4.1637 8.1839 120.0203 57.7527 41.1578 179.7459 18 N 4.3648 8.0687 115.8769 56.3649 38.5889 177.1283 19 N 4.4004 8.3549 118.0591 56.4794 38.5461 177.6640 20 V 4.5654 8.2372 123.6124 65.8720 31.3281 177.6795 21 E 4.6059 7.8700 115.2374 58.0739 29.4132 179.4435 22 A 4.8014 7.2385 120.2477 52.8048 19.7758 177.8225 23 G 3.9713 8.2590 105.4552 46.4722 0.0000 173.9948 24 E 4.3420 8.0655 120.0721 55.8239 30.9432 175.3935 25 E 4.7385 8.7735 123.6329 54.9863 31.1799 175.7208 26 V 4.4551 8.2932 125.2178 60.7346 33.4638 174.1708 27 E 4.2732 8.9301 130.0890 56.3288 31.1855 175.7524 28 I 4.5612 8.7250 129.8429 60.5450 39.0833 175.8859 *29 T 4.6807 9.1667 124.7289 61.6503 70.3870 172.4229 *30 R 4.6809 8.4345 120.7495 55.3751 33.4565 176.4496 *31 R 4.0281 9.0678 119.3862 57.3330 29.3306 176.2522 32 G 4.0510 8.9920 115.1634 46.3114 0.0000 172.8545 33 R 4.6677 7.8347 118.4759 54.2207 33.3904 177.4901 *34 E 4.4869 8.4495 111.6137 55.5657 30.5012 171.9033 35 P 4.8050 0.0000 0.0000 62.1092 32.7577 174.7580 36 A 4.9520 8.5728 121.8586 50.2446 22.6029 174.9722 37 V 4.8929 8.1103 115.8824 61.6897 35.3801 174.4664 38 I 4.6743 8.4872 127.3732 60.1809 41.1627 175.1285 39 V 5.0204 8.4351 129.2045 60.2518 36.2322 171.8871 40 S 4.3051 8.9175 116.7890 60.3795 62.9610 174.6135 *41 K 4.0862 8.7334 124.0987 61.1630 31.5004 179.5440 42 A 4.1387 8.2002 121.6595 55.4371 18.1362 179.2522 43 T 3.6000 7.9002 111.7749 66.6468 68.6168 176.1634 44 F 4.2487 8.0144 122.0555 61.6767 39.4296 177.1965 45 E 3.8324 8.4400 117.4447 58.6655 27.5871 179.2592 46 A 4.0730 8.0663 121.7286 55.3013 18.4202 179.2233 47 Y 4.2428 7.6813 117.4445 61.7602 37.8980 179.3825 48 K 3.8873 8.0881 127.2462 60.3708 31.4516 181.0475 49 K 4.7888 8.4856 123.4054 56.7248 32.1113 179.2724 50 A 4.7484 7.3877 122.3723 52.8585 21.5507 179.3024 51 A 4.1564 8.6122 118.7096 55.0969 18.5141 179.7184 52 L 4.1907 8.0423 120.0788 58.7895 40.3471 179.1018 53 D 4.3640 8.2463 119.1951 56.9539 40.4480 178.4468 54 A 4.1754 7.7151 120.0371 53.7820 18.6634 178.4238 55 E 4.3966 8.1535 116.7520 58.0126 30.0602 178.6858 *56 F 4.1809 8.1488 122.0755 61.3271 38.0719 182.2592 57 A 4.3480 7.6225 117.5570 53.2622 18.3784 178.4341 58 S 4.4318 7.6169 113.4784 60.2968 62.8705 175.9967 59 L 4.3087 8.0262 125.8060 57.0274 41.0360 181.9411 *60 F 3.9035 7.6787 116.0220 58.9465 35.0682 180.4140 *61 D 4.7348 8.1303 119.3984 52.3746 43.2278 178.4302 62 T 3.7731 6.8924 115.5637 59.2953 66.0311 176.1515 63 L 4.5268 7.4161 123.2722 54.2109 46.2598 173.7478 64 D 4.5961 8.5568 119.4307 54.4747 41.3846 176.7085 65 S 4.7712 8.6184 126.8567 59.5430 63.5535 175.2118 66 T 4.4263 8.6478 113.3868 61.5949 68.5065 178.3498 67 N 4.6490 8.1231 123.4906 56.1488 38.6708 181.9918 68 K 4.7894 7.8154 120.5614 54.5125 30.4977 178.7587 69 E 4.6926 7.9464 117.7846 56.2267 30.5319 176.4754 70 L 4.8347 7.6370 120.4831 55.2129 43.6656 177.7878 *71 V 4.4109 8.2602 118.9338 62.3338 33.3013 175.3992 72 N 4.4531 7.2277 122.2390 51.1261 37.3831 175.4583 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 Q 8.20 4.40 0.00 1.76 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.84 0.00 0.00 0.00 0.00 0.00 2.26 1.94 0.00 3 S 8.61 5.05 0.00 3.99 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 4 I 8.14 4.73 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 1.28 0.38 0.91 0.00 0.00 5 N 8.61 5.23 0.00 2.77 2.98 0.00 0.00 5.74 8.12 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 6 F 9.00 4.35 0.00 3.31 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 *7 R 6.62 4.06 0.00 1.84 1.98 0.00 3.27 0.00 0.00 3.34 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.29 0.00 8 T 7.76 3.98 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 1.19 0.00 0.00 9 A 7.97 3.98 1.29 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 0.00 0.00 0.00 0.00 0.00 0.00 10 R 8.70 4.16 0.00 1.97 2.16 0.00 3.12 0.00 0.00 3.34 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.65 0.00 11 G 8.11 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 12 N 8.02 5.13 0.00 2.81 2.72 0.00 0.00 6.61 6.06 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 13 L 7.84 4.03 0.00 1.86 1.66 0.93 0.94 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 14 S 8.06 4.12 0.00 3.90 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 15 E 8.27 4.10 0.00 1.98 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 2.40 2.31 0.00 16 V 7.68 3.63 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 0.82 0.00 0.00 0.93 0.00 0.00 17 L 8.18 4.16 0.00 1.76 1.76 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 18 N 8.07 4.36 0.00 2.91 2.86 0.00 0.00 6.94 7.38 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 19 N 8.35 4.40 0.00 2.97 3.07 0.00 0.00 6.70 7.62 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 20 V 8.24 4.57 2.25 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 0.89 0.00 0.00 1.06 0.00 0.00 21 E 7.87 4.61 0.00 2.13 1.81 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 2.26 2.19 0.00 22 A 7.24 4.80 1.30 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 0.00 0.00 23 G 8.26 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 0.00 0.00 0.00 0.00 24 E 8.07 4.34 0.00 2.25 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 2.30 0.00 25 E 8.77 4.74 0.00 1.88 1.93 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 2.35 2.37 0.00 26 V 8.29 4.46 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 0.96 0.00 0.00 0.95 0.00 0.00 27 E 8.93 4.27 0.00 2.13 1.81 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 2.33 2.43 0.00 28 I 8.72 4.56 1.91 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.99 1.01 0.00 0.00 *29 T 9.17 4.68 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 *30 R 8.43 4.68 0.00 1.67 1.74 0.00 3.23 0.00 0.00 3.37 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.19 0.00 *31 R 9.07 4.03 0.00 1.82 1.80 0.00 3.39 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.22 0.00 32 G 8.99 4.05 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 0.00 0.00 0.00 33 R 7.83 4.67 0.00 1.83 1.69 0.00 3.26 0.00 0.00 3.26 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.40 0.00 *34 E 8.45 4.49 0.00 1.98 1.77 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 2.19 1.86 0.00 35 P 0.00 4.81 0.00 2.14 2.11 0.00 3.68 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.03 0.00 36 A 8.57 4.95 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 37 V 8.11 4.89 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 0.85 0.00 0.00 0.95 0.00 0.00 38 I 8.49 4.67 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 1.10 1.30 0.97 0.00 0.00 39 V 8.44 5.02 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 0.75 0.00 0.00 0.93 0.00 0.00 40 S 8.92 4.31 0.00 3.64 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 *41 K 8.73 4.09 0.00 1.76 1.84 0.00 1.78 0.00 0.00 1.82 0.00 0.00 2.91 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.44 1.07 7.81 42 A 8.20 4.14 1.30 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 0.00 0.00 43 T 7.90 3.60 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 1.09 0.00 0.00 44 F 8.01 4.25 0.00 3.24 3.29 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 0.00 0.00 0.00 0.00 45 E 8.44 3.83 0.00 2.08 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 2.72 2.57 0.00 46 A 8.07 4.07 1.08 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 47 Y 7.68 4.24 0.00 3.03 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 K 8.09 3.89 0.00 1.75 1.83 0.00 1.80 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.38 1.34 7.81 49 K 8.49 4.79 0.00 1.75 1.70 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.38 1.32 7.81 50 A 7.39 4.75 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 51 A 8.61 4.16 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 52 L 8.04 4.19 0.00 1.82 2.12 0.91 0.96 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 53 D 8.25 4.36 0.00 2.86 2.77 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 54 A 7.72 4.18 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 55 E 8.15 4.40 0.00 2.19 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 0.00 2.45 2.35 0.00 *56 F 8.15 4.18 0.00 2.32 2.33 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 57 A 7.62 4.35 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 58 S 7.62 4.43 0.00 4.06 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.03 4.31 0.00 1.78 1.56 0.92 0.72 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 *60 F 7.68 3.90 0.00 2.47 2.33 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 D 8.13 4.73 0.00 2.63 2.38 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 62 T 6.89 3.77 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 63 L 7.42 4.53 0.00 1.58 1.69 0.92 0.99 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 64 D 8.56 4.60 0.00 2.63 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.62 4.77 0.00 3.98 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 T 8.65 4.43 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 67 N 8.12 4.65 0.00 2.64 2.84 0.00 0.00 6.94 7.51 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 68 K 7.82 4.79 0.00 1.77 1.70 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.36 1.03 7.81 69 E 7.95 4.69 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 2.24 2.30 0.00 70 L 7.64 4.83 0.00 1.69 1.68 0.93 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 *71 V 8.26 4.41 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 0.67 0.00 0.00 0.93 0.00 0.00 72 N 7.23 4.45 0.00 2.78 2.69 0.00 0.00 6.84 7.56 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 * Residues marked with a * may have inaccurate shift predictions.