NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 Q 4.4207 8.2027 121.7277 56.2877 31.4805 176.9765 7 D 4.2364 8.1802 116.7862 56.6016 41.2004 173.0263 8 V 3.7440 7.9987 118.5813 65.7251 32.0097 176.9738 9 F 4.2686 8.3961 120.0688 61.6277 39.2491 177.0813 10 L 4.0622 8.3695 118.2625 57.6677 41.3265 179.2185 11 D 4.4103 7.9755 118.8032 57.5898 40.6371 178.3657 12 Y 4.2845 7.9633 117.2756 61.1588 37.7141 178.2530 13 C 4.0024 8.0072 117.8664 62.8501 28.2423 175.9660 14 Q 4.0134 8.2987 121.1867 58.9105 28.6410 178.1035 15 K 4.0042 8.2757 120.9741 59.3516 32.1117 178.6090 16 L 4.0889 8.2947 120.8675 57.9414 42.0492 178.3770 17 L 4.1891 8.2723 120.6707 58.7018 42.1156 179.0393 18 E 4.0487 8.4089 118.2166 59.0831 29.1468 179.0692 19 K 3.7705 7.9855 119.0522 58.9781 32.2496 177.8687 20 F 4.2675 7.5869 114.3787 55.9635 39.3556 175.7335 21 R 3.8254 7.4503 116.0623 57.4561 27.8766 175.9486 22 Y 4.8757 7.7863 114.2333 56.2130 39.5350 174.3945 23 P 4.7028 0.0000 0.0000 61.8035 32.7167 176.8021 24 W 4.3080 9.1054 128.8666 61.1153 30.0675 177.6272 25 E 3.9332 8.4318 117.5482 58.5967 29.2647 177.6083 26 L 4.3287 7.9081 117.4146 54.6854 41.8824 177.7635 27 M 3.7061 7.6655 121.3179 58.2590 31.8608 176.6603 28 P 4.1481 0.0000 0.0000 65.6896 31.4494 178.6057 29 L 4.0201 7.8473 117.6722 57.9013 41.4679 179.3391 30 M 4.0498 7.8865 118.2696 58.3015 31.8469 177.8967 31 Y 4.1082 8.3628 120.1264 60.7205 38.9247 178.4086 32 V 3.6281 7.9152 118.8201 66.1697 31.8279 178.0489 33 I 3.6613 7.8114 119.4497 64.3975 36.9551 178.3195 34 L 3.9858 8.2771 121.5683 57.6997 41.7610 178.8563 35 K 3.8487 8.5207 120.2416 59.6591 31.9113 178.5426 36 D 4.3278 8.2257 117.9275 56.8001 40.9376 177.6190 37 A 4.4397 7.7326 119.2941 50.8833 18.8344 176.8119 38 D 4.3654 8.9099 117.1698 56.2999 38.9443 174.1675 39 A 3.6422 8.4890 117.4849 53.3562 16.8605 179.0915 40 N 4.4953 7.8111 118.5059 53.6962 38.6748 175.1620 41 I 3.5723 7.7758 128.5995 63.7935 38.2396 177.1418 42 E 3.9590 8.1430 119.1437 59.4168 29.3071 178.8222 43 E 3.9323 8.5097 119.1270 59.0288 29.7216 178.5318 44 A 3.9683 8.2145 121.0933 55.2708 18.3481 179.7859 45 S 4.2919 8.3060 113.5960 61.9387 62.9335 176.7945 46 R 4.1059 8.1326 121.2992 59.7424 29.7494 178.7722 47 R 3.9372 8.2354 117.8342 59.1705 29.9783 179.0742 48 I 3.6309 7.8376 119.6959 64.3234 36.9310 178.2201 49 E 4.2928 8.5467 121.1945 58.8089 29.1958 179.0344 50 E 4.1089 8.5838 119.6030 59.3272 29.7027 179.1140 51 G 3.6266 8.2264 105.7069 47.8392 0.0000 175.6679 52 Q 4.0225 8.3829 120.5908 58.8376 28.7045 178.0113 53 Y 4.2472 8.3187 120.7925 60.8741 38.7868 178.4438 54 V 3.6241 8.0831 120.4749 65.3893 31.6818 178.1568 55 V 3.5697 7.8825 117.9190 66.0893 31.3241 177.6184 56 N 4.3078 8.1595 116.2268 56.3955 38.2552 177.0463 57 E 3.7518 8.0740 120.8202 59.2973 29.4306 178.1869 58 Y 3.9873 7.8807 118.7255 60.6136 39.1164 178.0254 59 S 4.2239 8.3760 118.5521 62.3217 62.8218 177.3284 60 R 4.0294 8.0249 124.5863 62.0955 29.1582 180.5709 61 Q 4.7205 7.9325 120.7903 57.9690 28.0807 178.4165 *62 H 4.7937 7.4449 116.5889 55.2102 30.2132 178.0309 63 N 4.1931 8.3649 119.7079 54.3698 33.8216 178.5361 64 L 4.4293 7.4998 122.6713 54.2197 42.1289 177.5232 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 6 Q 8.20 4.42 0.00 2.21 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.86 0.00 0.00 0.00 0.00 0.00 2.41 2.55 0.00 7 D 8.18 4.24 0.00 2.96 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 8 V 8.00 3.74 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 0.82 0.00 0.00 0.94 0.00 0.00 9 F 8.40 4.27 0.00 3.26 3.37 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 10 L 8.37 4.06 0.00 1.88 1.83 1.06 1.09 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 11 D 7.98 4.41 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 12 Y 7.96 4.28 0.00 3.04 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 13 C 8.01 4.00 0.00 3.07 2.88 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 14 Q 8.30 4.01 0.00 2.31 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.80 0.00 0.00 0.00 0.00 0.00 2.59 2.69 0.00 15 K 8.28 4.00 0.00 1.93 2.11 0.00 1.75 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.53 1.50 7.81 16 L 8.29 4.09 0.00 1.94 1.89 1.16 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 17 L 8.27 4.19 0.00 1.97 1.98 1.03 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 18 E 8.41 4.05 0.00 2.20 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 2.40 2.47 0.00 19 K 7.99 3.77 0.00 1.76 2.00 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.71 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.41 1.11 7.81 20 F 7.59 4.27 0.00 2.65 2.26 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 0.00 21 R 7.45 3.83 0.00 1.89 1.98 0.00 3.29 0.00 0.00 3.41 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.66 0.00 22 Y 7.79 4.88 0.00 3.04 2.78 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 23 P 0.00 4.70 0.00 2.33 2.27 0.00 3.93 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.03 0.00 24 W 9.11 4.31 0.00 3.46 3.19 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.43 3.93 0.00 2.04 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 2.30 2.46 0.00 26 L 7.91 4.33 0.00 1.66 1.38 0.53 0.97 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 27 M 7.67 3.71 0.00 1.36 1.32 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.96 0.00 28 P 0.00 4.15 0.00 2.06 2.01 0.00 3.47 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.04 0.00 29 L 7.85 4.02 0.00 1.64 1.58 0.76 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 30 M 7.89 4.05 0.00 2.00 2.18 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.67 0.00 31 Y 8.36 4.11 0.00 3.09 3.14 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 0.00 0.00 0.00 0.00 32 V 7.92 3.63 2.23 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 1.13 0.00 0.00 1.13 0.00 0.00 33 I 7.81 3.66 1.83 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 1.36 1.02 0.86 0.00 0.00 34 L 8.28 3.99 0.00 1.68 1.59 0.77 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 35 K 8.52 3.85 0.00 1.34 1.73 0.00 1.27 0.00 0.00 1.50 0.00 0.00 2.85 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.27 1.16 7.81 36 D 8.23 4.33 0.00 2.83 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 37 A 7.73 4.44 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 38 D 8.91 4.37 0.00 2.79 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 39 A 8.49 3.64 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.81 4.50 0.00 2.74 2.81 0.00 0.00 6.86 7.22 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 41 I 7.78 3.57 1.53 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.17 0.82 0.00 0.00 42 E 8.14 3.96 0.00 2.24 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 2.40 2.43 0.00 43 E 8.51 3.93 0.00 2.08 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 0.00 2.29 2.35 0.00 44 A 8.21 3.97 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 45 S 8.31 4.29 0.00 4.16 4.14 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 0.00 0.00 0.00 0.00 46 R 8.13 4.11 0.00 1.90 2.09 0.00 3.09 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 47 R 8.24 3.94 0.00 2.03 1.93 0.00 3.16 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 1.64 1.88 0.00 48 I 7.84 3.63 1.49 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.61 0.31 0.00 0.00 49 E 8.55 4.29 0.00 2.23 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 0.00 2.52 2.56 0.00 50 E 8.58 4.11 0.00 2.06 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 2.37 2.41 0.00 51 G 8.23 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 0.00 0.00 0.00 52 Q 8.38 4.02 0.00 2.37 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.71 0.00 0.00 0.00 0.00 0.00 2.45 2.54 0.00 53 Y 8.32 4.25 0.00 3.06 3.15 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 54 V 8.08 3.62 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 1.20 0.00 0.00 1.12 0.00 0.00 55 V 7.88 3.57 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 1.00 0.00 0.00 0.96 0.00 0.00 56 N 8.16 4.31 0.00 2.92 2.83 0.00 0.00 6.71 7.17 0.00 0.00 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 8.07 3.75 0.00 1.51 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 2.19 2.30 0.00 58 Y 7.88 3.99 0.00 2.92 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 59 S 8.38 4.22 0.00 4.08 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 60 R 8.02 4.03 0.00 1.90 1.86 0.00 3.26 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.53 0.00 61 Q 7.93 4.72 0.00 2.14 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.76 7.20 0.00 0.00 0.00 0.00 0.00 2.29 2.24 0.00 *62 H 7.44 4.79 0.00 2.87 2.87 0.00 7.32 0.00 0.00 0.00 0.00 5.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 N 8.36 4.19 0.00 2.89 2.74 0.00 0.00 6.46 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 64 L 7.50 4.43 0.00 1.59 1.37 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.