NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3372 8.1227 123.5866 52.3682 21.0382 178.6688 2 D 4.2425 8.1370 114.6785 56.0522 41.0700 176.6449 3 T 4.1531 8.2023 110.1836 64.8882 69.0807 175.5620 4 L 4.1281 7.8896 122.7401 57.7535 42.1372 178.8070 5 E 3.9801 8.1683 118.2006 59.5258 29.5507 179.4273 6 R 3.9400 7.9671 117.5701 59.2374 30.2000 179.1512 7 V 3.7961 8.5870 118.3917 66.5488 31.5094 178.1940 8 T 3.9463 8.4912 115.7606 66.4631 68.2937 176.4883 9 K 3.9573 8.0594 121.3670 59.5107 32.1515 178.7184 10 I 3.6732 7.8696 119.9247 64.5653 36.9817 178.2215 11 I 3.7412 7.8707 120.3610 64.5206 37.0104 178.6431 12 V 3.6379 8.2775 119.0813 66.3336 31.2343 177.9177 13 D 4.4501 8.5198 117.2056 57.3184 40.7531 177.4354 14 R 4.1427 8.4797 119.1343 57.6665 29.7649 177.4914 15 L 4.2440 7.4409 126.3113 55.3614 43.6495 177.6961 16 G 4.4450 7.2972 104.0679 45.7969 0.0000 173.6080 17 V 4.1726 7.0802 112.8120 60.4760 32.2569 174.7894 18 D 4.2476 9.4432 122.3803 54.8887 41.5370 172.8140 19 E 3.9701 8.5993 112.6275 55.0485 29.6086 174.6617 20 A 3.7673 10.2212 118.8694 52.8448 16.7753 176.7453 21 D 4.8478 8.1006 113.4177 54.9193 41.8527 177.3323 22 V 4.0509 7.5933 121.5948 61.9499 30.1571 174.9774 23 K 4.5483 7.5940 124.7128 52.0886 33.8232 178.1931 24 L 3.5217 8.5108 121.9161 57.1279 41.6362 178.6869 25 E 4.2414 7.8943 113.3354 55.9042 30.6942 175.7054 26 A 3.8856 8.4933 125.5965 52.1492 18.5752 176.7351 27 S 4.4442 8.7371 118.7901 58.1397 63.1056 174.8976 28 F 4.2363 8.4377 126.9186 60.9396 38.7845 177.9706 29 K 4.3516 8.1792 118.6818 59.1608 32.3525 179.3648 30 E 3.8549 8.2931 116.4981 59.2804 29.4827 177.8673 31 D 4.6893 8.0062 115.5577 54.5434 41.5852 177.0340 32 L 4.5789 7.8081 116.7408 53.6010 42.9567 175.9592 33 G 3.7147 7.6369 105.9635 46.6707 0.0000 173.7361 34 A 4.9522 7.6669 122.1461 50.0134 22.6803 175.7029 35 D 4.3137 9.1085 124.0640 54.4954 38.1664 178.3323 *37 L 4.2349 9.0872 120.8814 54.8338 44.7139 177.2456 38 D 4.3804 9.5391 119.9185 57.2640 40.6457 179.1140 39 V 3.5711 7.7075 119.4338 64.4319 31.3734 178.9017 40 V 3.5642 7.6197 119.6490 64.7470 31.4150 178.1612 41 E 3.9780 8.0989 118.8778 58.5739 29.1433 179.1075 42 L 3.8246 7.8573 120.6523 58.2155 42.2493 179.1051 43 V 3.4457 7.7343 118.1903 66.3060 31.4463 177.9160 44 M 4.0634 8.1228 118.4134 58.1987 31.7685 178.2292 45 E 3.9445 8.3035 119.6811 59.4174 29.6725 178.9757 46 L 4.2603 8.1907 119.0672 57.8810 41.7562 179.3518 47 E 4.3317 8.1641 119.9742 58.9537 29.2657 178.8731 48 D 4.3625 8.0827 118.7400 57.0101 40.9194 178.1375 49 E 3.7578 7.9795 119.7386 58.6171 29.5689 177.5885 50 F 4.6475 7.5631 113.7119 55.9202 41.0567 174.0873 51 D 4.4450 8.2673 119.8393 55.4563 39.7353 171.6102 52 M 5.0131 8.1316 115.5572 53.4545 35.1440 174.1085 53 E 4.8051 8.6877 116.3648 54.4064 31.9232 175.4128 54 I 4.3363 9.8618 124.3531 59.0342 38.7757 176.3534 55 S 4.3975 8.3872 120.8810 58.1218 64.8892 174.7491 56 D 4.4201 8.4945 121.6000 57.1614 40.2742 178.6382 57 E 3.9170 8.0308 118.8341 59.5327 29.9384 178.2255 58 D 4.5121 8.7388 119.0343 57.1925 40.4248 178.5705 59 A 3.8278 8.3986 121.8378 55.0049 18.0617 179.3106 60 E 3.9215 7.7804 117.2292 59.0324 29.8521 178.4581 61 K 4.3451 7.6927 118.5434 57.1263 33.0605 176.7753 62 I 4.3889 7.0379 111.4791 59.2806 37.6364 175.0311 63 A 4.2185 8.5858 132.2024 55.3854 19.0075 178.0741 64 T 4.5014 7.9637 105.8774 59.9153 72.1937 175.8461 65 V 3.6260 7.3849 120.3052 66.0838 31.3344 178.4279 66 G 3.5590 8.0795 105.5875 47.7298 0.0000 175.5046 67 D 4.4607 7.9316 120.6709 56.9674 40.6924 178.7496 68 A 4.0097 8.3035 121.5201 55.1661 18.4583 179.5896 69 V 3.4699 7.9816 116.8388 66.4399 31.3887 177.7328 70 N 4.2888 8.3089 115.0896 56.5382 38.5170 176.4269 71 Y 4.0262 8.1959 120.6081 60.7283 38.7136 178.0664 72 I 3.7141 7.8324 119.6696 64.4277 37.3795 177.9927 73 Q 4.2552 8.1301 115.2081 57.2999 28.5387 175.7170 74 N 4.4702 7.6678 123.9711 53.3061 37.5710 174.0280 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 A 8.12 4.34 1.34 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 0.00 0.00 0.00 0.00 0.00 0.00 2 D 8.14 4.24 0.00 2.91 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.20 4.15 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 1.32 0.00 0.00 4 L 7.89 4.13 0.00 1.85 1.91 0.95 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 5 E 8.17 3.98 0.00 2.37 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 2.42 2.49 0.00 6 R 7.97 3.94 0.00 2.08 1.97 0.00 3.09 0.00 0.00 2.98 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 7 V 8.59 3.80 2.24 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 1.16 0.00 0.00 1.07 0.00 0.00 8 T 8.49 3.95 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 1.24 0.00 0.00 9 K 8.06 3.96 0.00 2.01 2.04 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.62 1.50 7.81 10 I 7.87 3.67 2.11 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.81 0.94 0.00 0.00 11 I 7.87 3.74 2.11 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.09 1.05 0.00 0.00 12 V 8.28 3.64 2.24 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 1.05 0.00 0.00 0.98 0.00 0.00 13 D 8.52 4.45 0.00 2.77 2.73 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 14 R 8.48 4.14 0.00 1.82 1.77 0.00 3.29 0.00 0.00 3.38 8.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.79 0.00 15 L 7.44 4.24 0.00 1.62 1.77 1.06 1.02 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 16 G 7.30 4.44 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 0.00 17 V 7.08 4.17 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 0.97 0.00 0.00 18 D 9.44 4.25 0.00 2.75 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 19 E 8.60 3.97 0.00 2.08 2.20 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 2.21 2.12 0.00 20 A 10.22 3.77 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 21 D 8.10 4.85 0.00 2.77 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 22 V 7.59 4.05 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 0.86 0.00 0.00 0.95 0.00 0.00 23 K 7.59 4.55 0.00 1.71 1.65 0.00 1.87 0.00 0.00 1.82 0.00 0.00 2.82 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.38 1.01 7.81 24 L 8.51 3.52 0.00 1.63 1.75 0.91 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 25 E 7.89 4.24 0.00 2.02 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 2.16 2.20 0.00 26 A 8.49 3.89 1.22 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 0.00 0.00 0.00 0.00 0.00 27 S 8.74 4.44 0.00 3.83 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 28 F 8.44 4.24 0.00 3.20 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 29 K 8.18 4.35 0.00 1.87 1.88 0.00 1.98 0.00 0.00 1.80 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.83 1.49 7.81 30 E 8.29 3.85 0.00 1.95 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 2.32 2.34 0.00 31 D 8.01 4.69 0.00 2.81 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 32 L 7.81 4.58 0.00 1.89 1.71 0.87 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 33 G 7.64 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 34 A 7.67 4.95 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 35 D 9.11 4.31 0.00 2.89 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 L 9.09 4.23 0.00 1.76 1.84 0.91 1.16 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 38 D 9.54 4.38 0.00 2.81 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.71 3.57 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 0.84 0.00 0.00 0.78 0.00 0.00 40 V 7.62 3.56 2.04 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 0.88 0.00 0.00 0.90 0.00 0.00 41 E 8.10 3.98 0.00 2.17 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 2.31 2.41 0.00 42 L 7.86 3.82 0.00 1.87 1.62 0.87 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 43 V 7.73 3.45 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 0.88 0.00 0.00 0.82 0.00 0.00 44 M 8.12 4.06 0.00 2.10 2.19 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.90 2.51 0.00 45 E 8.30 3.94 0.00 2.30 2.04 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 2.31 2.41 0.00 46 L 8.19 4.26 0.00 1.89 1.77 0.79 0.98 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 47 E 8.16 4.33 0.00 2.25 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 0.00 2.45 2.45 0.00 48 D 8.08 4.36 0.00 2.83 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 49 E 7.98 3.76 0.00 1.92 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.47 0.00 50 F 7.56 4.65 0.00 3.17 3.03 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.27 4.45 0.00 2.76 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 52 M 8.13 5.01 0.00 2.31 2.23 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.61 0.00 53 E 8.69 4.81 0.00 2.08 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 2.19 2.33 0.00 54 I 9.86 4.34 1.76 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.64 0.60 0.00 0.00 55 S 8.39 4.40 0.00 4.05 4.03 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.49 4.42 0.00 2.70 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.03 3.92 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 2.32 2.42 0.00 58 D 8.74 4.51 0.00 2.79 2.66 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 0.00 0.00 0.00 0.00 59 A 8.40 3.83 1.27 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 60 E 7.78 3.92 0.00 1.92 2.16 0.00 0.00 0.00 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 2.31 0.00 61 K 7.69 4.35 0.00 1.78 2.05 0.00 1.88 0.00 0.00 1.92 0.00 0.00 3.14 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.49 7.81 62 I 7.04 4.39 1.91 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.88 0.97 0.00 0.00 63 A 8.59 4.22 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 64 T 7.96 4.50 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 1.15 0.00 0.00 65 V 7.38 3.63 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 1.09 0.00 0.00 0.54 0.00 0.00 66 G 8.08 3.56 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 0.00 0.00 0.00 67 D 7.93 4.46 0.00 3.03 2.81 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 68 A 8.30 4.01 1.57 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 0.00 0.00 69 V 7.98 3.47 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 1.07 0.00 0.00 1.03 0.00 0.00 70 N 8.31 4.29 0.00 2.83 2.90 0.00 0.00 7.09 7.07 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 71 Y 8.20 4.03 0.00 3.14 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 72 I 7.83 3.71 1.78 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.68 0.18 0.00 0.00 73 Q 8.13 4.26 0.00 2.15 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.74 0.00 0.00 0.00 0.00 0.00 2.47 2.33 0.00 74 N 7.67 4.47 0.00 2.67 2.69 0.00 0.00 6.74 7.41 0.00 0.00 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.