NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.8475 8.3501 109.7341 44.8969 0.0000 173.4296 3 A 4.1093 7.9254 121.9423 50.7183 19.3689 175.7247 4 Q 4.3755 9.2932 124.3957 54.3904 31.5227 172.7017 5 V 4.5863 8.2896 126.8334 61.4826 32.9179 174.6711 6 S 4.8696 8.1379 123.3445 56.5284 67.2088 173.1609 7 S 5.1990 8.4858 115.4649 57.5094 64.4893 173.9481 8 Q 4.3478 9.0033 121.6459 55.2830 29.8512 176.2031 9 K 4.1479 8.4752 123.9579 55.1236 31.6346 176.3558 10 V 3.7344 8.2255 127.2959 62.2251 31.6785 174.8419 11 G 3.5092 8.1594 118.5025 46.6348 0.0000 172.9947 12 A 4.3874 7.8764 123.0515 50.8663 20.5539 176.9368 13 H 4.9843 8.3706 118.1829 53.8262 31.6725 174.5661 14 E 3.8618 8.7993 123.8565 59.0794 29.6970 176.7413 *23 S 4.2416 7.5775 110.0014 57.7997 64.1261 172.4819 24 T 4.0543 8.2522 114.9043 61.9925 67.6757 173.1991 25 I 4.3823 8.3139 129.4062 60.4334 38.8897 174.7948 26 N 5.6398 8.8121 123.7510 51.8160 41.5722 173.2471 27 Y 5.0016 8.8360 117.5717 55.7866 41.8727 174.2736 28 T 5.0529 8.5743 116.2717 62.2902 71.6058 174.0490 29 T 4.6505 8.6517 120.4984 62.0177 72.8723 172.8506 30 I 4.6380 8.1140 126.4398 59.2928 40.0148 174.9811 31 N 4.2621 8.5793 124.8168 53.1038 38.9912 174.7722 32 Y 4.5184 8.1250 120.0620 58.6141 38.7966 175.0060 33 Y 4.9335 7.5250 116.3552 55.6765 41.3806 175.7256 34 R 4.0253 8.8084 122.4382 58.8593 30.6936 176.4823 35 D 4.7923 8.0346 118.8234 52.6102 41.9659 177.3705 36 S 4.2579 8.8223 119.0897 61.1312 63.1598 176.3498 37 A 4.0334 8.0285 122.9699 55.0924 18.1733 178.6253 38 S 4.1744 8.1214 111.3228 60.7201 63.1631 174.8494 39 N 4.4496 7.7852 117.3892 52.7669 38.7166 174.6188 40 A 4.1972 8.2921 123.7119 51.7383 18.0957 176.8603 41 A 4.3655 8.2978 122.6392 51.4073 19.2601 179.2355 42 S 4.2507 8.7714 118.0294 59.3889 63.3463 175.0796 43 K 4.0419 7.2276 114.9062 56.3416 30.1321 176.4605 44 Q 4.2416 7.8872 120.1677 54.3970 26.7583 174.6667 45 D 4.7768 7.5034 120.8162 52.2670 43.7821 175.9066 46 F 4.5981 8.3258 119.4331 56.4054 40.8008 175.6757 47 S 4.9259 8.5471 118.4645 57.0138 64.9803 173.3683 48 Q 4.6800 8.1310 119.1448 54.0991 31.7096 174.2182 49 D 4.5845 8.4149 118.0031 53.3712 41.9620 174.9820 50 P 4.6190 0.0000 0.0000 64.1699 31.5916 178.4443 51 S 4.0775 7.9399 116.6553 61.9871 62.5683 176.7198 52 K 3.8285 7.7650 119.4591 59.0235 32.1976 178.0139 53 F 4.8275 7.8704 118.3407 59.1098 40.2757 177.4619 54 T 4.3231 7.9344 107.5626 62.9695 70.5091 174.6606 55 E 4.7673 8.4214 120.9333 54.7702 30.0755 174.6332 56 P 4.6616 0.0000 0.0000 63.0036 31.6653 176.9271 57 I 4.1294 7.4848 112.2254 60.5164 38.6810 175.8771 58 K 3.9080 8.7129 123.9978 59.3998 32.1874 176.7683 59 D 4.5868 8.1369 120.1988 53.5989 40.5228 176.0360 60 V 3.2129 7.5761 123.0395 61.2670 31.8801 175.0165 61 L 4.2304 8.4353 128.6211 54.8709 41.2965 176.2404 62 I 4.2073 8.1637 125.4803 59.2427 37.0009 176.5786 63 K 3.9603 8.6729 126.2918 59.4299 32.3832 178.1084 64 T 4.0927 7.8165 107.9736 62.7212 69.4695 174.7495 65 A 4.4092 7.7550 125.3231 49.9235 19.7304 175.1699 66 P 4.2558 0.0000 0.0000 63.3883 31.4084 176.6241 67 M 4.0784 8.7697 122.2409 57.2612 32.5091 175.6516 68 L 4.6678 7.8044 118.1839 52.7989 43.5407 175.6808 69 N 4.5499 8.5813 121.3802 53.6783 39.2553 173.6913 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 G 8.35 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 3 A 7.93 4.11 1.23 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 4 Q 9.29 4.38 0.00 2.08 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.72 0.00 0.00 0.00 0.00 0.00 2.20 2.19 0.00 5 V 8.29 4.59 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 0.78 0.00 0.00 0.87 0.00 0.00 6 S 8.14 4.87 0.00 3.35 3.63 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 7 S 8.49 5.20 0.00 3.92 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 Q 9.00 4.35 0.00 1.96 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 7.00 0.00 0.00 0.00 0.00 0.00 2.31 2.60 0.00 9 K 8.48 4.15 0.00 1.71 1.73 0.00 1.76 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.42 7.81 10 V 8.23 3.73 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 0.66 0.00 0.00 0.93 0.00 0.00 11 G 8.16 3.51 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 A 7.88 4.39 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 13 H 8.37 4.98 0.00 3.11 3.21 0.00 5.70 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 14 E 8.80 3.86 0.00 1.93 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 2.30 2.30 0.00 *23 S 7.58 4.24 0.00 4.05 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 24 T 8.25 4.05 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 1.28 0.00 0.00 25 I 8.31 4.38 2.01 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 1.37 0.54 1.00 0.00 0.00 26 N 8.81 5.64 0.00 2.59 2.79 0.00 0.00 6.84 7.46 0.00 0.00 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 Y 8.84 5.00 0.00 2.96 2.98 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 0.00 0.00 0.00 28 T 8.57 5.05 4.25 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 1.18 0.00 0.00 29 T 8.65 4.65 4.16 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 1.17 0.00 0.00 30 I 8.11 4.64 1.74 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.57 0.86 0.00 0.00 31 N 8.58 4.26 0.00 2.64 2.73 0.00 0.00 7.09 7.46 0.00 0.00 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 Y 8.13 4.52 0.00 2.53 2.51 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 0.00 0.00 0.00 0.00 33 Y 7.52 4.93 0.00 2.95 2.84 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 R 8.81 4.03 0.00 1.83 2.03 0.00 3.25 0.00 0.00 3.26 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 35 D 8.03 4.79 0.00 2.74 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 36 S 8.82 4.26 0.00 4.01 4.15 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 37 A 8.03 4.03 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 38 S 8.12 4.17 0.00 3.94 3.58 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 39 N 7.79 4.45 0.00 2.78 2.77 0.00 0.00 6.94 6.63 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 40 A 8.29 4.20 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 41 A 8.30 4.37 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 42 S 8.77 4.25 0.00 4.03 4.04 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 43 K 7.23 4.04 0.00 1.86 1.89 0.00 1.64 0.00 0.00 1.54 0.00 0.00 2.95 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.36 1.46 7.81 44 Q 7.89 4.24 0.00 2.01 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.31 6.71 0.00 0.00 0.00 0.00 0.00 2.33 2.50 0.00 45 D 7.50 4.78 0.00 2.59 2.50 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 46 F 8.33 4.60 0.00 3.17 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 47 S 8.55 4.93 0.00 3.91 3.82 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 48 Q 8.13 4.68 0.00 2.12 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.98 0.00 0.00 0.00 0.00 0.00 2.29 2.36 0.00 49 D 8.41 4.58 0.00 2.65 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.62 0.00 2.40 2.40 0.00 3.82 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.10 0.00 51 S 7.94 4.08 0.00 3.92 3.95 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.76 3.83 0.00 1.46 1.64 0.00 0.92 0.00 0.00 1.14 0.00 0.00 2.90 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.75 0.21 7.81 53 F 7.87 4.83 0.00 3.12 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 54 T 7.93 4.32 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 1.29 0.00 0.00 55 E 8.42 4.77 0.00 1.95 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 2.22 2.22 0.00 56 P 0.00 4.66 0.00 2.18 2.24 0.00 3.77 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 2.01 1.98 0.00 57 I 7.48 4.13 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 1.18 0.60 0.91 0.00 0.00 58 K 8.71 3.91 0.00 1.73 1.87 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.46 7.81 59 D 8.14 4.59 0.00 2.70 2.62 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 0.00 0.00 0.00 0.00 60 V 7.58 3.21 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 0.80 0.00 0.00 0.92 0.00 0.00 61 L 8.44 4.23 0.00 1.77 1.67 0.95 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 62 I 8.16 4.21 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 1.47 0.60 0.91 0.00 0.00 63 K 8.67 3.96 0.00 1.86 1.96 0.00 1.57 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.41 1.44 7.81 64 T 7.82 4.09 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 65 A 7.75 4.41 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 66 P 0.00 4.26 0.00 2.33 2.10 0.00 3.77 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 67 M 8.77 4.08 0.00 1.98 2.14 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.62 0.00 68 L 7.80 4.67 0.00 1.64 1.56 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 69 N 8.58 4.55 0.00 2.62 2.61 0.00 0.00 7.09 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.