NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 18 N 4.7046 8.2676 118.2006 51.9050 38.7607 174.8584 19 W 4.0685 8.5338 115.9242 58.8134 27.6741 173.3255 20 V 3.5160 7.2804 120.6499 65.7619 31.5198 178.9234 21 A 3.9466 8.5536 120.9268 55.4754 18.1446 179.0604 22 C 4.4520 8.5591 115.2853 59.8220 35.4789 176.6320 23 G 3.5461 8.3457 107.9150 47.7043 0.0000 175.9317 24 I 3.7283 7.8991 122.3003 64.0123 37.1142 178.2861 25 L 3.9266 7.9445 121.1945 58.0024 41.9504 178.6381 26 E 4.0112 8.4843 119.6800 59.1884 29.6198 178.9006 27 G 3.7483 8.7405 106.1752 47.8392 0.0000 175.6596 28 G 3.7103 8.3351 109.0014 47.6091 0.0000 175.7400 29 L 4.0410 8.0780 121.5590 57.1025 41.5209 179.6422 30 K 3.9344 8.1139 119.5974 59.4825 31.9895 178.8818 31 A 4.0099 8.3183 119.9913 54.6634 18.3656 178.6241 32 A 4.2848 7.9657 117.2300 52.0359 18.8254 177.8776 33 G 3.8687 7.9411 105.1640 46.4624 0.0000 175.1641 34 V 4.1480 7.6799 113.9303 60.9575 33.3876 176.0601 35 L 4.6870 7.7668 121.5535 53.4073 42.9229 174.8872 36 E 4.7244 8.6178 122.8176 54.2302 32.8046 174.3305 37 E 3.9691 8.5863 119.0994 57.1341 30.1125 176.5211 38 G 3.9559 8.5610 112.2706 46.3899 0.0000 173.0981 39 Q 4.3068 7.2358 120.7918 55.4451 30.0683 174.9347 40 Y 4.8469 8.3959 121.8366 56.5944 40.7121 176.2842 41 N 4.2263 8.9382 121.1648 57.3642 39.0346 177.0943 42 R 3.9115 8.8333 120.0367 59.6464 30.0750 178.2767 43 E 4.0060 8.1232 117.7642 59.2655 29.5648 178.9026 44 L 3.9301 7.9618 120.0321 58.0400 42.1888 178.7822 45 A 3.9802 8.1221 120.7263 55.3098 18.3192 179.4850 46 E 3.9017 8.3398 116.7879 59.5027 29.5561 179.4943 47 A 4.0269 8.1907 120.8700 55.0604 18.5221 179.8464 48 I 3.6133 7.9343 118.1731 64.4683 36.9222 178.4513 49 A 4.0887 8.0739 121.3953 55.1048 17.9384 179.5090 50 A 4.2099 7.7016 119.6263 54.7682 18.6048 179.6587 51 K 4.2295 7.8572 114.5048 58.1970 32.3432 178.8683 52 G 3.9859 7.4946 105.7762 44.0304 0.0000 174.1669 53 E 4.2379 7.5893 121.4291 56.4277 30.6497 177.1017 54 G 3.9333 8.5563 107.9929 44.8226 0.0000 173.1585 55 F 4.0235 8.5659 117.3663 60.9616 38.9121 177.8134 56 W 4.5518 8.3427 117.8418 59.8767 28.7269 178.6331 57 T 4.2723 8.2149 109.1094 64.7880 68.5016 176.5456 58 T 4.0584 7.7066 111.6419 64.9200 69.0004 176.4945 59 Q 4.1376 7.9214 119.4237 56.2480 28.9959 176.1814 60 F 4.8290 8.1123 118.4190 54.5065 41.6372 173.5457 61 P 4.3521 0.0000 0.0000 66.0186 31.1602 178.5329 62 Q 4.0922 8.2883 115.5737 59.3861 28.3619 178.6154 63 I 4.0878 8.2608 122.0121 64.0648 37.3496 178.4632 64 G 3.7808 8.3331 106.2285 48.0380 0.0000 175.3553 65 D 4.4595 8.6680 121.5872 56.7741 40.7567 178.5815 66 W 4.1818 8.4597 129.0150 60.3888 30.5737 177.4346 67 N 3.2074 8.7037 117.2188 56.5567 38.3609 176.7117 68 E 3.9066 7.9926 119.5554 59.4807 29.5505 179.1517 69 D 4.3122 8.3045 119.1971 57.4966 40.8028 178.8979 70 Q 3.9141 8.1392 118.6420 58.4580 28.5928 178.5440 71 A 3.8302 7.8302 121.7869 55.1020 18.4380 179.5401 72 A 3.9088 8.1186 119.1689 55.2141 18.4013 179.7560 73 A 3.9301 7.9502 119.3721 55.1402 18.3645 179.6743 74 L 3.8758 8.2264 118.9897 58.1752 42.0814 179.0536 75 A 3.9779 8.1603 120.8347 55.0911 18.2670 179.3569 76 D 4.2894 8.1000 117.5125 57.7340 40.9697 179.2799 77 R 3.9425 8.0505 118.3005 59.0233 29.9058 179.0043 78 A 3.9875 8.1660 120.9586 55.1190 18.0800 179.4521 79 Q 3.8908 8.2939 118.3287 59.7288 28.9331 178.6053 80 T 4.0165 7.8500 115.6431 66.5935 68.5144 175.0315 81 C 4.6953 7.9160 115.6882 56.2838 40.2953 173.7645 82 G 3.9393 8.1190 108.7975 46.7230 0.0000 175.1212 83 L 4.3857 8.1110 120.9743 55.4203 42.4127 177.1855 84 V 4.6687 7.2288 109.5320 59.3686 35.9649 175.1420 85 K 4.3779 8.8076 122.0777 55.7393 33.3356 176.7748 86 A 4.7247 8.4702 124.9001 51.4729 19.1570 177.3307 87 D 4.4080 8.7757 120.9899 54.4814 41.5483 175.8548 88 T 4.4890 7.8965 114.4643 60.4013 71.9282 174.2142 *89 Y 4.3354 8.2674 118.4827 57.1771 37.5941 171.5414 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 18 N 8.27 4.70 0.00 2.26 2.75 0.00 0.00 5.87 8.00 0.00 0.00 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 W 8.53 4.07 0.00 3.65 3.53 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 0.00 0.00 0.00 0.00 20 V 7.28 3.52 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 0.96 0.00 0.00 0.57 0.00 0.00 21 A 8.55 3.95 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 22 C 8.56 4.45 0.00 3.10 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 23 G 8.35 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.90 3.73 2.02 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 1.41 0.88 0.91 0.00 0.00 25 L 7.94 3.93 0.00 1.77 1.84 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 26 E 8.48 4.01 0.00 2.16 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 2.31 2.33 0.00 27 G 8.74 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 28 G 8.34 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 29 L 8.08 4.04 0.00 1.71 1.73 0.92 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 30 K 8.11 3.93 0.00 1.92 1.96 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.45 7.81 31 A 8.32 4.01 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 32 A 7.97 4.28 1.33 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 0.00 0.00 33 G 7.94 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 V 7.68 4.15 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 0.71 0.00 0.00 1.00 0.00 0.00 35 L 7.77 4.69 0.00 1.57 1.55 1.03 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 36 E 8.62 4.72 0.00 2.06 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.20 0.00 37 E 8.59 3.97 0.00 2.05 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 2.35 2.33 0.00 38 G 8.56 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 39 Q 7.24 4.31 0.00 2.37 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.53 6.77 0.00 0.00 0.00 0.00 0.00 2.36 2.33 0.00 40 Y 8.40 4.85 0.00 3.10 2.99 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 0.00 0.00 0.00 41 N 8.94 4.23 0.00 3.01 3.25 0.00 0.00 7.10 8.41 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 42 R 8.83 3.91 0.00 2.20 1.94 0.00 3.12 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 43 E 8.12 4.01 0.00 2.25 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 2.46 2.50 0.00 44 L 7.96 3.93 0.00 1.93 1.83 0.91 0.95 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 45 A 8.12 3.98 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 46 E 8.34 3.90 0.00 2.21 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 2.32 2.61 0.00 47 A 8.19 4.03 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 48 I 7.93 3.61 1.95 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 1.43 1.26 0.83 0.00 0.00 49 A 8.07 4.09 1.33 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 0.00 0.00 50 A 7.70 4.21 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 51 K 7.86 4.23 0.00 1.86 1.88 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.65 1.59 7.81 52 G 7.49 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 53 E 7.59 4.24 0.00 2.21 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 2.36 2.52 0.00 54 G 8.56 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 55 F 8.57 4.02 0.00 2.87 2.75 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 56 W 8.34 4.55 0.00 3.53 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 57 T 8.21 4.27 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 58 T 7.71 4.06 4.22 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 1.25 0.00 0.00 59 Q 7.92 4.14 0.00 2.07 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.70 0.00 0.00 0.00 0.00 0.00 2.57 2.38 0.00 60 F 8.11 4.83 0.00 3.34 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 61 P 0.00 4.35 0.00 2.24 2.19 0.00 3.73 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.21 0.00 62 Q 8.29 4.09 0.00 2.34 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.93 0.00 0.00 0.00 0.00 0.00 2.56 2.48 0.00 63 I 8.26 4.09 2.43 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.03 1.12 0.00 0.00 64 G 8.33 3.78 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 D 8.67 4.46 0.00 2.94 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 66 W 8.46 4.18 0.00 3.40 3.47 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 67 N 8.70 3.21 0.00 2.86 2.99 0.00 0.00 7.25 8.29 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 68 E 7.99 3.91 0.00 2.20 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 2.31 2.45 0.00 69 D 8.30 4.31 0.00 2.66 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 70 Q 8.14 3.91 0.00 1.51 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.11 2.21 0.00 71 A 7.83 3.83 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 72 A 8.12 3.91 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 73 A 7.95 3.93 1.38 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 0.00 0.00 74 L 8.23 3.88 0.00 1.84 1.77 0.90 1.25 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 75 A 8.16 3.98 1.43 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 76 D 8.10 4.29 0.00 2.95 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 77 R 8.05 3.94 0.00 2.01 1.97 0.00 3.12 0.00 0.00 3.16 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.90 0.00 78 A 8.17 3.99 1.38 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 0.00 0.00 79 Q 8.29 3.89 0.00 2.13 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.74 0.00 0.00 0.00 0.00 0.00 2.37 2.61 0.00 80 T 7.85 4.02 4.39 0.00 0.00 0.00 0.00 0.00 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 81 C 7.92 4.70 0.00 3.24 3.13 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 82 G 8.12 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 83 L 8.11 4.39 0.00 1.69 1.73 0.93 1.10 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 84 V 7.23 4.67 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 0.70 0.00 0.00 0.94 0.00 0.00 85 K 8.81 4.38 0.00 1.40 1.70 0.00 1.48 0.00 0.00 1.46 0.00 0.00 2.29 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.14 7.81 86 A 8.47 4.72 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 87 D 8.78 4.41 0.00 2.68 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 88 T 7.90 4.49 4.22 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 1.30 0.00 0.00 *89 Y 8.27 4.34 0.00 2.10 2.15 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 * Residues marked with a * may have inaccurate shift predictions.