NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 15 S 4.3149 8.3231 115.2923 59.2406 63.2357 173.1145 16 G 3.5722 8.7296 107.4814 45.5465 0.0000 170.9906 17 N 4.2600 9.8212 127.7785 54.5504 37.5176 172.8332 18 T 4.6885 7.9256 112.1365 61.8997 72.0488 174.4636 19 G 4.2314 8.6182 115.4457 45.0954 0.0000 171.9840 20 S 4.5969 8.0977 114.0405 56.9476 64.5291 174.1697 21 I 3.8915 8.4287 125.2473 64.3705 37.2782 176.9967 22 I 3.7970 7.5659 119.8905 60.8513 37.4278 175.5807 23 N 4.3735 8.6642 123.4109 53.4617 39.3792 173.9306 24 N 4.5215 8.5254 122.6180 53.7645 39.6644 174.5564 25 Y 3.9919 8.6510 125.6250 59.7484 39.2760 175.1627 26 Y 4.5482 7.5820 116.0233 55.9959 40.0193 175.5479 27 M 4.3363 8.3490 122.2026 55.1511 33.0936 177.4321 28 Q 4.0259 8.7842 122.4198 59.3056 29.3451 178.0678 29 Q 4.2509 8.1600 113.1856 57.4970 29.0952 175.7303 30 Y 4.2222 7.7710 115.5536 59.6272 39.8266 176.8457 31 Q 4.1554 8.4219 119.8399 58.5037 29.3016 175.2233 32 N 5.1178 8.0481 113.0904 51.0359 42.8866 173.9755 33 S 4.3612 8.3939 113.8561 58.4370 63.9728 173.2803 34 M 4.5380 8.1771 121.0841 53.6942 33.3840 176.5348 35 S 4.4403 8.4980 120.0048 58.3941 63.9105 173.4239 36 T 4.7492 8.1307 112.0020 59.9664 71.6205 172.7682 37 Q 4.6856 8.3381 120.0376 54.0288 32.4947 175.3872 38 L 4.6111 8.1199 119.1111 54.7967 43.4159 174.0519 39 G 3.7098 8.7991 118.9410 45.9997 0.0000 173.7756 *62 T 3.9360 8.7545 122.8185 61.9571 67.8831 172.2378 63 Q 4.5133 8.1591 127.5916 54.1616 31.1254 176.6767 64 N 4.6705 8.3088 117.7227 52.6411 37.2944 174.2900 65 N 5.0252 7.9396 124.3820 52.6716 39.9942 175.5238 66 D 4.8056 7.6868 118.7560 51.9403 40.7536 175.5666 67 W 4.2376 8.8073 134.0520 60.4347 30.8709 177.1915 68 F 3.8272 8.3210 116.6451 60.0906 38.3702 177.6122 69 S 4.1068 8.5061 113.2763 61.1248 62.2574 176.2423 70 K 3.7983 7.7912 121.1826 59.2329 31.5568 178.8526 71 L 3.4894 7.2245 119.1267 58.1028 42.3240 178.6209 72 A 4.1219 7.9752 120.4709 55.3853 18.1404 179.8345 73 S 4.1802 7.9203 112.4882 61.0085 62.9623 176.1697 74 S 4.3233 7.7118 114.7663 58.0605 63.5523 174.4255 75 A 4.0573 7.1950 126.0251 52.2895 18.6653 177.1071 76 F 4.5443 8.8315 124.7571 58.6068 39.9843 175.0061 77 T 4.3379 7.8244 122.6192 63.3418 71.5865 177.4816 78 G 3.7953 6.3202 110.4508 44.0591 0.0000 174.5236 79 L 4.3914 8.1626 127.8278 53.6340 44.3109 174.9778 80 F 4.1402 9.1202 129.5139 59.2235 39.9744 175.2011 81 G 3.9416 8.8902 113.5305 44.4586 0.0000 172.1625 82 A 4.3858 8.0947 120.6979 51.2529 19.5178 176.6100 83 L 4.7924 8.2384 121.6188 53.1974 44.6231 176.6100 84 L 4.5651 8.2945 123.7789 52.6975 42.4798 176.5124 85 A 4.3275 8.2866 124.6516 51.9558 19.1971 176.8573 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 15 S 8.32 4.31 0.00 3.86 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 16 G 8.73 3.57 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 0.00 17 N 9.82 4.26 0.00 2.89 2.97 0.00 0.00 7.00 7.70 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 18 T 7.93 4.69 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 1.23 0.00 0.00 19 G 8.62 4.23 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 0.00 0.00 0.00 20 S 8.10 4.60 0.00 4.01 3.89 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 0.00 0.00 0.00 21 I 8.43 3.89 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.81 0.92 0.00 0.00 22 I 7.57 3.80 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.35 0.93 0.00 0.00 23 N 8.66 4.37 0.00 2.67 2.74 0.00 0.00 7.07 7.79 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 24 N 8.53 4.52 0.00 2.78 2.90 0.00 0.00 6.99 7.54 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 25 Y 8.65 3.99 0.00 2.77 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.58 4.55 0.00 3.29 2.93 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 27 M 8.35 4.34 0.00 2.18 2.21 0.00 0.00 0.00 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.52 0.00 28 Q 8.78 4.03 0.00 2.12 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.98 0.00 0.00 0.00 0.00 0.00 2.46 2.39 0.00 29 Q 8.16 4.25 0.00 2.11 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.62 0.00 0.00 0.00 0.00 0.00 2.47 2.37 0.00 30 Y 7.77 4.22 0.00 3.22 3.08 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 31 Q 8.42 4.16 0.00 2.13 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.71 0.00 0.00 0.00 0.00 0.00 2.45 2.43 0.00 32 N 8.05 5.12 0.00 2.69 2.66 0.00 0.00 7.06 7.01 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 33 S 8.39 4.36 0.00 3.96 3.84 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 34 M 8.18 4.54 0.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.44 0.00 35 S 8.50 4.44 0.00 3.86 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 36 T 8.13 4.75 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 1.20 0.00 0.00 37 Q 8.34 4.69 0.00 2.01 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.80 0.00 0.00 0.00 0.00 0.00 2.25 2.25 0.00 38 L 8.12 4.61 0.00 1.66 1.61 0.92 0.31 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 39 G 8.80 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 *62 T 8.75 3.94 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 1.22 0.00 0.00 63 Q 8.16 4.51 0.00 2.09 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 7.24 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 64 N 8.31 4.67 0.00 2.70 2.76 0.00 0.00 6.65 7.79 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 65 N 7.94 5.03 0.00 2.71 2.77 0.00 0.00 7.14 8.47 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 66 D 7.69 4.81 0.00 2.76 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 67 W 8.81 4.24 0.00 3.36 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 68 F 8.32 3.83 0.00 3.22 3.16 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 0.00 0.00 0.00 69 S 8.51 4.11 0.00 4.22 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 70 K 7.79 3.80 0.00 1.57 1.54 0.00 1.64 0.00 0.00 1.50 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.38 1.57 7.81 71 L 7.22 3.49 0.00 0.84 1.54 0.60 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 72 A 7.98 4.12 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 73 S 7.92 4.18 0.00 3.81 3.91 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.71 4.32 0.00 3.99 4.02 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 0.00 0.00 0.00 75 A 7.19 4.06 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 76 F 8.83 4.54 0.00 2.92 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 77 T 7.82 4.34 4.09 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 1.08 0.00 0.00 78 G 6.32 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 0.00 0.00 0.00 79 L 8.16 4.39 0.00 1.53 1.56 0.92 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 80 F 9.12 4.14 0.00 3.24 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 G 8.89 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 82 A 8.09 4.39 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 83 L 8.24 4.79 0.00 1.59 1.53 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 84 L 8.29 4.57 0.00 1.63 1.57 0.93 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 85 A 8.29 4.33 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 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.