NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 D 4.5642 8.3493 120.5302 53.6115 42.1896 178.6312 4 H 3.8185 8.8824 122.7935 56.2594 28.4909 168.7757 5 V 4.4049 8.6930 122.4128 61.2911 35.4691 174.7739 6 Y 5.2119 8.7241 123.8584 56.0641 41.1822 174.6565 7 K 4.4020 8.2145 123.4360 54.5556 35.0320 174.8190 8 I 4.7493 8.1928 127.0773 59.7989 39.0167 175.2590 9 V 4.5061 8.5938 120.6371 59.5390 34.8234 174.4417 10 E 5.0639 8.6752 123.9176 54.7434 31.0314 174.9987 11 L 4.9448 9.0518 126.2911 53.1156 46.4903 175.3376 12 T 4.9389 8.5080 115.7969 60.3733 69.5170 173.6339 13 G 4.0645 8.8958 116.5182 45.5924 0.0000 172.1384 14 S 5.8070 8.1411 115.2744 55.6499 65.7068 173.0843 15 S 4.7953 8.3243 116.9577 57.0120 65.2810 173.6164 16 P 4.8127 0.0000 0.0000 63.9567 31.6272 176.2907 17 N 4.7235 9.7082 116.8316 52.5904 40.2737 175.4640 18 G 2.8216 7.2477 103.4731 44.6059 0.0000 172.3855 19 I 3.5750 7.2430 119.6542 64.5858 37.1443 178.1006 20 E 3.9407 7.9663 118.8346 59.5394 29.1964 179.2840 21 E 3.8877 7.9997 117.8207 59.1348 29.7360 178.9181 22 A 4.1464 7.9195 120.8416 55.4959 18.4099 180.2047 23 V 3.5002 7.7957 110.7954 64.3989 31.5573 178.4837 24 N 4.1758 8.2241 116.4098 56.4281 38.3881 177.0661 25 N 4.2800 8.4063 117.7362 56.2320 38.6440 177.2565 26 A 3.9483 7.7993 121.7145 55.3422 18.4391 179.8409 27 I 3.6075 7.9359 118.2776 64.0315 37.1581 178.3815 28 A 3.9292 8.4274 122.0593 55.5141 16.7095 180.0786 29 R 3.8886 8.0992 115.9295 59.0349 30.0266 179.2346 30 A 4.2797 8.0090 121.1383 54.8753 18.1604 179.9064 31 G 3.6371 7.9483 103.5529 47.6661 0.0000 175.5322 32 E 4.0583 7.7968 119.7835 59.2175 29.5803 178.3878 33 T 4.2750 7.1424 109.9224 61.6556 68.5084 174.0429 34 L 4.4775 7.7959 119.9872 52.6096 44.0594 175.4187 35 R 4.4549 7.3121 114.5365 56.0296 32.6493 174.2178 36 H 4.0999 8.6547 114.1566 56.9340 25.3399 175.3987 37 L 4.5336 7.9900 118.8078 55.3402 42.3471 176.8454 38 R 4.8537 9.3077 122.8855 57.2168 32.1269 176.2101 39 W 5.5638 7.8006 113.7772 55.2485 31.9579 173.0788 40 F 5.3342 8.4217 114.1660 55.3742 40.9590 173.3014 41 E 4.6084 9.2413 119.8820 54.3465 33.2064 174.4666 42 V 4.2980 8.6536 127.1005 62.9663 31.5969 175.8971 43 V 4.1209 8.6569 128.0743 62.3325 32.6399 175.9154 44 D 4.6507 7.2257 120.5768 54.1799 44.2497 174.9191 45 T 5.0570 8.8105 121.8644 62.1427 71.3845 173.1423 46 R 4.7574 9.1539 125.4663 55.0548 34.8099 174.1113 47 G 4.0547 8.0857 104.4890 46.5455 0.0000 172.2903 48 H 4.9733 8.4856 120.5045 54.3914 32.1507 173.4410 49 I 4.8095 7.8462 125.3418 59.4359 39.2128 174.6413 50 E 4.5633 9.2903 128.0343 55.1054 33.1482 175.0072 51 G 3.7851 8.5741 113.9921 47.3230 0.0000 174.8316 52 G 4.1989 8.6543 108.7313 44.6359 0.0000 172.4359 53 R 4.5738 7.8155 114.5667 53.4116 32.7019 174.4744 54 V 3.8193 8.2997 120.0061 63.2106 31.5527 175.2223 55 N 4.8436 8.5007 124.6036 53.3454 39.1318 174.8016 56 H 5.0806 7.6776 116.8242 53.9979 33.3275 172.2628 57 W 4.6844 9.5455 124.3850 56.0089 30.8759 175.5040 58 Q 4.7503 9.4427 123.7593 54.3553 31.3545 174.4337 59 V 4.7337 8.6502 125.2617 61.3283 33.8348 174.2428 60 T 5.1732 8.8962 123.4712 60.7158 69.4350 173.6313 61 V 4.9869 9.1286 126.7380 60.1514 35.6107 173.8526 62 K 4.9066 9.6652 123.0433 54.9019 34.4008 175.1878 63 V 4.4546 8.8425 126.2935 61.0719 33.7185 174.4679 64 G 3.0394 8.0452 116.1904 44.2498 0.0000 172.4948 65 F 5.6907 8.4395 118.9791 55.3144 41.9062 173.9455 66 T 4.2417 8.9042 118.3518 63.7317 68.9444 173.9877 67 L 4.2460 8.3540 126.9896 54.5664 42.3499 174.3855 68 E 4.1924 9.2226 120.0367 56.8586 32.3337 176.1461 *69 G 3.7113 8.2979 112.0012 45.0274 0.0000 172.3918 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 3 D 8.35 4.56 0.00 2.57 1.54 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.88 3.82 0.00 2.79 3.17 0.00 5.66 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 5 V 8.69 4.40 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 0.98 0.00 0.00 0.90 0.00 0.00 6 Y 8.72 5.21 0.00 3.00 2.97 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 7 K 8.21 4.40 0.00 1.35 0.74 0.00 1.54 0.00 0.00 1.77 0.00 0.00 2.86 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.17 1.25 7.81 8 I 8.19 4.75 1.85 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.73 0.85 0.00 0.00 9 V 8.59 4.51 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 0.88 0.00 0.00 1.10 0.00 0.00 10 E 8.68 5.06 0.00 1.97 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 2.33 0.00 11 L 9.05 4.94 0.00 1.55 1.46 0.88 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 12 T 8.51 4.94 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 1.21 0.00 0.00 13 G 8.90 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.14 5.81 0.00 3.84 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 S 8.32 4.80 0.00 4.08 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 P 0.00 4.81 0.00 2.27 2.18 0.00 3.85 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.02 0.00 17 N 9.71 4.72 0.00 2.68 2.85 0.00 0.00 6.83 7.31 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 18 G 7.25 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 0.00 0.00 0.00 19 I 7.24 3.57 1.69 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.38 0.90 0.00 0.00 20 E 7.97 3.94 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 2.38 2.45 0.00 21 E 8.00 3.89 0.00 2.00 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 2.35 2.39 0.00 22 A 7.92 4.15 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.80 3.50 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 0.84 0.00 0.00 0.37 0.00 0.00 24 N 8.22 4.18 0.00 2.91 2.81 0.00 0.00 7.00 6.52 0.00 0.00 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 N 8.41 4.28 0.00 2.89 2.84 0.00 0.00 6.93 7.97 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 26 A 7.80 3.95 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 27 I 7.94 3.61 1.79 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.34 0.83 0.00 0.00 28 A 8.43 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 29 R 8.10 3.89 0.00 1.95 1.95 0.00 3.26 0.00 0.00 3.14 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.76 0.00 30 A 8.01 4.28 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 31 G 7.95 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 32 E 7.80 4.06 0.00 2.06 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 2.31 2.43 0.00 33 T 7.14 4.27 4.18 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 1.23 0.00 0.00 34 L 7.80 4.48 0.00 1.26 0.85 0.69 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 35 R 7.31 4.45 0.00 1.57 1.72 0.00 3.11 0.00 0.00 3.25 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.85 0.00 36 H 8.65 4.10 0.00 3.64 3.59 0.00 5.82 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 L 7.99 4.53 0.00 1.68 1.67 0.88 0.77 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 38 R 9.31 4.85 0.00 2.14 2.31 0.00 3.52 0.00 0.00 3.46 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.11 0.00 39 W 7.80 5.56 0.00 3.29 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 40 F 8.42 5.33 0.00 3.09 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.24 4.61 0.00 2.11 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 2.24 2.25 0.00 42 V 8.65 4.30 2.18 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 0.96 0.00 0.00 1.16 0.00 0.00 43 V 8.66 4.12 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 0.77 0.00 0.00 0.96 0.00 0.00 44 D 7.23 4.65 0.00 2.84 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 45 T 8.81 5.06 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 1.45 0.00 0.00 46 R 9.15 4.76 0.00 1.69 1.81 0.00 3.30 0.00 0.00 3.19 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 47 G 8.09 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 48 H 8.49 4.97 0.00 3.20 3.30 0.00 5.55 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 I 7.85 4.81 1.73 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.60 0.84 0.00 0.00 50 E 9.29 4.56 0.00 2.11 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 2.19 2.25 0.00 51 G 8.57 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.65 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 0.00 0.00 0.00 0.00 53 R 7.82 4.57 0.00 1.94 1.96 0.00 2.78 0.00 0.00 3.09 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.82 0.00 54 V 8.30 3.82 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 -0.22 0.00 0.00 0.54 0.00 0.00 55 N 8.50 4.84 0.00 2.65 2.84 0.00 0.00 6.81 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 H 7.68 5.08 0.00 3.10 3.19 0.00 5.80 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 W 9.55 4.68 0.00 3.43 3.23 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 0.00 58 Q 9.44 4.75 0.00 1.97 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.77 0.00 0.00 0.00 0.00 0.00 2.27 2.30 0.00 59 V 8.65 4.73 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 1.03 0.00 0.00 60 T 8.90 5.17 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 1.33 0.00 0.00 61 V 9.13 4.99 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 0.76 0.00 0.00 1.10 0.00 0.00 62 K 9.67 4.91 0.00 1.72 1.74 0.00 1.67 0.00 0.00 1.61 0.00 0.00 2.81 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.38 1.38 7.81 63 V 8.84 4.45 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 0.93 0.00 0.00 0.91 0.00 0.00 64 G 8.05 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 0.00 0.00 0.00 65 F 8.44 5.69 0.00 3.13 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 66 T 8.90 4.24 4.31 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 1.10 0.00 0.00 67 L 8.35 4.25 0.00 1.57 1.58 0.86 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 68 E 9.22 4.19 0.00 2.02 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.34 0.00 *69 G 8.30 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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.