NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 19 P 4.4103 0.0000 0.0000 62.5508 33.7498 178.2334 20 K 3.7273 8.0776 118.5792 59.3741 32.0985 177.0721 21 D 4.3718 8.4779 120.5697 57.0746 41.1822 177.9449 22 A 4.0276 7.9943 121.0242 55.2468 18.3785 179.5130 23 Q 3.9421 8.0976 116.5632 59.0434 28.7060 179.1359 24 V 3.5827 7.5581 119.3642 66.1747 31.5924 178.1700 25 I 3.6741 7.9077 119.4898 64.6631 36.8926 178.3947 26 M 4.0644 8.2264 119.6952 58.4176 31.6728 179.0378 27 S 4.1876 8.2542 115.5838 61.4704 62.9790 176.7555 28 I 3.8610 8.0208 122.8324 64.2839 36.8311 178.3439 29 L 3.8856 7.8805 119.8244 57.7044 41.4359 179.6311 30 K 4.0147 8.0600 119.4200 59.6418 31.9800 178.7782 31 E 4.0625 8.3913 118.0587 58.8110 29.3088 178.1937 32 L 4.4866 7.7170 117.1272 53.8877 42.0782 176.1327 33 N 4.1826 7.9270 114.4094 54.5403 36.3544 175.5057 34 V 4.1798 7.9010 120.2499 61.4390 30.3209 175.1750 35 Q 4.2512 8.4074 125.0272 57.6074 29.1842 176.8014 36 E 4.5828 7.8830 115.6863 54.6311 33.2778 174.1276 37 Y 4.8794 7.3529 118.6046 55.5478 40.8799 174.2668 38 E 4.1487 8.7484 121.1534 55.7848 30.3925 176.3108 39 P 4.4173 0.0000 0.0000 66.0930 31.3479 178.8510 40 R 4.1433 8.0027 115.0907 57.9789 29.9172 178.7909 41 V 3.8420 7.9467 120.5913 65.3533 31.5016 177.9459 42 V 3.5188 7.6281 118.1024 65.9947 31.3751 177.7259 43 N 4.3408 8.0577 115.6355 56.5173 38.3292 177.0636 44 Q 4.2080 8.2998 119.5150 59.2812 28.8152 179.2473 45 L 4.2605 8.2277 119.8381 57.5751 41.6311 179.5462 46 L 4.1062 8.1078 119.3065 57.7135 41.4713 179.2843 47 E 4.0739 8.4566 118.7683 59.1689 29.3579 179.1535 48 F 4.1405 8.4761 120.7750 61.5480 39.5050 177.0572 49 T 3.7110 8.1864 115.4878 66.7569 68.2230 176.1939 50 F 3.9767 8.3027 122.1502 61.2413 39.4711 177.0834 51 R 3.8995 8.2082 119.8471 58.9023 29.8913 177.8887 52 Y 3.6622 7.8345 119.6036 60.5592 38.7111 178.0128 53 V 3.4152 7.7266 119.4056 66.1325 31.7297 178.0567 54 T 3.5421 7.6908 109.8471 64.5824 67.9138 176.4115 55 S 4.0053 7.7989 115.8687 61.1344 62.3702 176.2548 56 I 3.5375 7.2708 122.3544 64.3680 36.7448 178.5347 57 L 3.8878 7.9367 120.0023 57.6031 41.1309 179.0304 58 D 4.1843 7.9553 117.6957 57.3115 41.5282 177.7972 59 D 4.1350 7.6597 118.3025 57.0422 40.8900 178.4697 60 A 4.0905 7.9892 121.3917 55.1058 18.2044 179.5683 61 K 3.8135 8.1177 118.2675 59.5028 32.1123 179.2586 62 V 3.4298 7.2232 118.1024 66.0872 31.2978 177.6277 63 Y 4.2936 7.2746 115.7224 61.1310 37.7138 178.2820 64 A 4.0629 8.2593 121.7250 55.1299 18.3652 179.4296 65 N 4.2877 8.3449 115.1498 56.9754 38.5478 177.3747 66 H 4.2562 8.5457 115.3184 57.6689 28.8585 176.5800 67 A 4.4136 7.5839 120.7136 50.7982 20.1536 176.4197 68 R 3.8445 8.1261 115.3053 57.5477 27.6995 176.0954 69 K 4.7282 8.3221 115.7834 54.7137 35.4334 177.1087 70 K 4.3168 8.5412 119.4933 57.1689 33.1402 177.1083 71 T 4.5923 7.5458 114.8789 61.1182 70.6523 173.9693 72 I 3.8823 8.3749 127.4727 61.4497 37.9181 175.3861 73 D 4.9682 9.0783 123.6330 51.5848 45.1194 176.5195 74 L 3.9427 8.4315 122.6630 58.5099 41.8367 178.5458 75 D 4.3830 8.1090 118.2084 56.5578 39.2266 178.2354 76 D 4.4104 8.0073 119.7880 57.2562 40.9617 178.6879 77 V 3.6476 7.7665 118.6075 66.0126 31.4910 178.2965 78 R 3.9274 8.4086 118.3410 59.0921 29.8040 178.8714 79 L 3.8304 8.0046 119.9397 57.9268 42.1824 178.6682 80 A 4.2696 8.2320 120.7701 55.7569 18.1067 179.7882 81 T 3.8440 7.8792 112.9790 66.7375 68.5946 176.2885 82 E 4.0731 8.1487 120.3131 59.2527 29.7703 178.6812 83 V 3.8725 8.0826 117.5835 64.6803 31.8032 176.6184 84 T 4.5241 7.4044 108.8594 60.2120 70.4531 175.0023 85 L 4.0595 8.7383 126.6931 56.1166 38.3775 173.6025 *86 D 4.5820 9.2911 115.0782 53.4396 40.4530 177.3239 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 19 P 0.00 4.41 0.00 2.20 2.17 0.00 3.58 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.08 0.00 20 K 8.08 3.73 0.00 1.91 1.82 0.00 1.73 0.00 0.00 1.83 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.52 1.60 7.81 21 D 8.48 4.37 0.00 2.76 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 22 A 7.99 4.03 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 23 Q 8.10 3.94 0.00 2.35 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.75 0.00 0.00 0.00 0.00 0.00 2.40 2.51 0.00 24 V 7.56 3.58 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 1.12 0.00 0.00 1.00 0.00 0.00 25 I 7.91 3.67 1.99 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.82 0.83 0.00 0.00 26 M 8.23 4.06 0.00 2.16 2.28 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.87 2.70 0.00 27 S 8.25 4.19 0.00 4.03 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 28 I 8.02 3.86 1.96 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 1.50 0.94 0.86 0.00 0.00 29 L 7.88 3.89 0.00 1.70 1.52 -0.10 0.37 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 30 K 8.06 4.01 0.00 1.91 1.97 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.52 7.81 31 E 8.39 4.06 0.00 2.13 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 2.35 2.43 0.00 32 L 7.72 4.49 0.00 1.59 1.65 0.88 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 33 N 7.93 4.18 0.00 2.89 2.92 0.00 0.00 6.72 7.19 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 34 V 7.90 4.18 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 0.92 0.00 0.00 0.97 0.00 0.00 35 Q 8.41 4.25 0.00 2.10 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.48 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 36 E 7.88 4.58 0.00 1.88 1.72 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 2.12 2.24 0.00 37 Y 7.35 4.88 0.00 3.00 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 38 E 8.75 4.15 0.00 2.12 1.95 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 2.42 2.37 0.00 39 P 0.00 4.42 0.00 2.18 2.15 0.00 3.62 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.17 0.00 40 R 8.00 4.14 0.00 1.88 2.00 0.00 3.14 0.00 0.00 3.28 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.71 0.00 41 V 7.95 3.84 2.25 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 1.06 0.00 0.00 1.00 0.00 0.00 42 V 7.63 3.52 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 0.99 0.00 0.00 0.96 0.00 0.00 43 N 8.06 4.34 0.00 2.98 2.86 0.00 0.00 7.10 7.78 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 44 Q 8.30 4.21 0.00 2.38 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.81 0.00 0.00 0.00 0.00 0.00 2.42 2.44 0.00 45 L 8.23 4.26 0.00 1.81 1.74 0.81 0.53 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 46 L 8.11 4.11 0.00 1.90 1.75 0.94 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 47 E 8.46 4.07 0.00 2.26 2.06 0.00 0.00 0.00 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 2.43 0.00 48 F 8.48 4.14 0.00 3.23 3.29 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 49 T 8.19 3.71 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 50 F 8.30 3.98 0.00 3.16 3.20 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 0.00 51 R 8.21 3.90 0.00 2.16 1.93 0.00 3.28 0.00 0.00 3.25 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.54 0.00 52 Y 7.83 3.66 0.00 2.11 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 53 V 7.73 3.42 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 1.01 0.00 0.00 54 T 7.69 3.54 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 0.20 0.00 0.00 55 S 7.80 4.01 0.00 3.85 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 56 I 7.27 3.54 1.56 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 -0.07 0.81 0.00 0.00 57 L 7.94 3.89 0.00 1.58 1.61 0.82 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 58 D 7.96 4.18 0.00 2.77 2.57 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 59 D 7.66 4.13 0.00 2.75 2.40 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 0.00 60 A 7.99 4.09 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 61 K 8.12 3.81 0.00 1.91 1.86 0.00 1.49 0.00 0.00 1.53 0.00 0.00 2.97 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.38 1.43 7.81 62 V 7.22 3.43 1.69 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 0.79 0.00 0.00 0.80 0.00 0.00 63 Y 7.27 4.29 0.00 3.24 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 64 A 8.26 4.06 1.39 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 0.00 0.00 0.00 65 N 8.34 4.29 0.00 3.00 2.93 0.00 0.00 7.04 9.01 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 66 H 8.55 4.26 0.00 3.29 3.41 0.00 5.66 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 A 7.58 4.41 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 68 R 8.13 3.84 0.00 1.97 2.03 0.00 3.11 0.00 0.00 3.22 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 69 K 8.32 4.73 0.00 1.82 1.69 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.37 1.52 7.81 70 K 8.54 4.32 0.00 1.72 1.85 0.00 1.58 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.38 1.50 7.81 71 T 7.55 4.59 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 72 I 8.37 3.88 1.86 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.45 0.91 0.00 0.00 73 D 9.08 4.97 0.00 2.66 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 8.43 3.94 0.00 1.75 1.67 0.92 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 75 D 8.11 4.38 0.00 2.87 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 D 8.01 4.41 0.00 2.92 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 77 V 7.77 3.65 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 1.05 0.00 0.00 0.93 0.00 0.00 78 R 8.41 3.93 0.00 2.03 1.95 0.00 3.17 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.84 0.00 79 L 8.00 3.83 0.00 1.63 1.33 0.72 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 80 A 8.23 4.27 1.47 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 0.00 0.00 81 T 7.88 3.84 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 1.30 0.00 0.00 82 E 8.15 4.07 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 2.31 2.31 0.00 83 V 8.08 3.87 2.25 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 0.97 0.00 0.00 0.95 0.00 0.00 84 T 7.40 4.52 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 1.29 0.00 0.00 85 L 8.74 4.06 0.00 1.70 1.78 0.94 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 *86 D 9.29 4.58 0.00 2.51 2.49 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 * Residues marked with a * may have inaccurate shift predictions.