NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 G 3.9712 8.2133 109.7364 45.6199 0.0000 175.6582 7 I 3.5877 7.6006 121.3779 62.4972 37.4887 173.1470 8 V 3.6139 7.9243 119.0695 65.4558 31.8235 177.4462 9 Q 3.8755 7.8222 119.2333 59.2504 29.0666 177.4204 10 Q 3.9589 8.0095 120.4988 59.2000 29.0056 178.1361 11 Q 3.9402 8.2126 120.7297 59.5592 28.9639 178.5695 12 Q 4.0425 7.9310 119.9682 58.8804 29.0198 178.0831 13 Q 4.0013 7.9691 119.3639 59.0069 28.9457 178.6166 14 L 4.0372 8.1983 120.2389 57.5788 41.7946 179.0757 15 L 4.1372 7.8463 119.1321 57.1282 41.9692 178.0346 16 D 4.6093 7.6748 118.5457 56.3478 41.3176 178.8026 17 V 3.5619 7.7547 119.0358 66.0132 31.3557 178.2644 18 V 3.6724 7.7528 117.2619 65.1492 31.0580 178.0814 19 K 4.0219 7.5127 118.6633 59.5371 32.1159 179.0734 20 R 4.8073 8.0662 119.8114 59.0534 29.9834 179.0992 21 Q 4.0544 8.2812 117.8506 58.8149 28.6247 178.6956 22 Q 3.9585 7.7543 119.4452 59.3103 28.6376 178.2415 23 E 3.9999 7.7937 118.2419 59.1909 29.4638 179.0509 24 L 4.0960 7.9322 120.5126 57.7271 42.0947 178.9737 25 L 4.0951 8.0571 119.3526 57.6642 41.5918 179.4177 26 R 4.0424 8.1911 117.6928 58.6831 29.7825 179.0565 27 L 4.1948 7.5292 118.3302 57.6570 41.9939 178.9363 28 T 4.1572 8.0247 108.6531 63.7317 68.8739 176.5656 29 V 4.0982 8.1331 121.5819 65.0751 31.4750 177.6490 30 W 4.2059 7.9496 128.1047 60.2757 30.6440 178.0363 31 G 3.8056 8.6073 105.0461 48.0521 0.0000 175.4819 32 T 4.0138 7.9972 119.7286 66.0123 68.9660 176.0872 33 K 4.0639 7.6035 120.8900 54.5946 32.6083 178.4020 *49 E 4.4172 8.5532 120.8261 55.6688 31.6228 177.8139 50 W 4.1053 8.5228 130.8521 61.5576 30.8307 177.9306 *51 E 4.4403 8.4658 109.2668 56.4473 28.5793 179.2877 52 R 4.4495 7.7879 120.7827 58.2792 31.4169 178.2824 53 K 3.9684 7.6897 117.6629 59.2230 32.3866 179.1968 54 V 3.4078 7.3342 116.9248 65.6835 31.2631 177.5808 55 D 4.3304 7.7236 118.3133 57.3284 40.8430 178.4655 56 F 4.2641 7.5772 117.8967 60.4834 38.8835 177.7844 57 L 4.0363 7.9683 118.5871 57.7824 41.0010 179.2939 58 E 4.0645 7.9612 118.1729 58.6619 29.2992 179.0036 59 E 4.0679 8.0350 120.8874 59.4106 30.0562 178.7878 60 N 4.3744 8.3128 119.4472 57.8228 37.7162 179.1956 61 I 4.1684 7.7417 122.2107 64.2645 36.9468 178.7414 62 T 3.9864 7.4648 116.4297 66.0826 68.2046 176.9224 63 A 3.9661 8.0545 122.8367 55.3153 18.6675 179.7563 64 L 4.1048 8.4859 117.6779 57.8826 41.7179 179.7917 65 L 4.0894 7.9309 119.1124 57.2434 41.5196 179.0182 66 E 3.9573 7.8861 119.5535 59.1728 29.6961 178.3946 67 E 3.9319 8.3869 118.5729 59.5758 29.3240 179.3421 68 A 4.0363 7.7094 119.1669 54.8415 18.7453 179.3773 69 Q 4.0185 7.8773 117.9168 59.5593 29.4180 178.0263 70 I 4.6100 8.2590 122.4807 64.1358 37.1054 178.1872 71 Q 3.9859 8.2527 120.1695 59.2625 28.6902 178.1529 72 Q 4.2042 7.7553 117.8391 58.8635 28.9174 178.7263 73 E 4.1814 7.9885 119.3762 59.4134 29.7362 179.3214 74 K 4.0195 8.0010 117.9598 59.5344 31.8601 178.9226 75 N 4.4181 8.1920 116.2000 56.4003 38.5367 176.6720 76 M 4.1377 7.9426 118.4234 57.8090 32.3028 175.5947 77 Y 4.0767 7.8859 120.4244 58.3740 38.2397 175.1674 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 G 8.21 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 I 7.60 3.59 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 1.53 0.73 0.91 0.00 0.00 8 V 7.92 3.61 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 1.10 0.00 0.00 0.94 0.00 0.00 9 Q 7.82 3.88 0.00 2.20 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.63 0.00 0.00 0.00 0.00 0.00 2.42 2.47 0.00 10 Q 8.01 3.96 0.00 2.23 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.53 0.00 0.00 0.00 0.00 0.00 2.36 2.43 0.00 11 Q 8.21 3.94 0.00 2.43 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.58 0.00 0.00 0.00 0.00 0.00 2.49 2.43 0.00 12 Q 7.93 4.04 0.00 2.17 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.59 0.00 0.00 0.00 0.00 0.00 2.36 2.44 0.00 13 Q 7.97 4.00 0.00 2.28 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.57 0.00 0.00 0.00 0.00 0.00 2.40 2.45 0.00 14 L 8.20 4.04 0.00 1.82 1.72 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 15 L 7.85 4.14 0.00 1.84 1.89 0.92 1.51 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 16 D 7.67 4.61 0.00 2.93 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.75 3.56 2.21 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 1.00 0.00 0.00 1.00 0.00 0.00 18 V 7.75 3.67 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 0.94 0.00 0.00 0.97 0.00 0.00 19 K 7.51 4.02 0.00 2.26 1.88 0.00 1.57 0.00 0.00 1.77 0.00 0.00 3.02 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.52 7.81 20 R 8.07 4.81 0.00 2.00 1.95 0.00 3.35 0.00 0.00 3.53 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.67 0.00 21 Q 8.28 4.05 0.00 2.10 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.68 0.00 22 Q 7.75 3.96 0.00 2.36 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 23 E 7.79 4.00 0.00 2.18 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 2.52 0.00 24 L 7.93 4.10 0.00 1.92 1.88 0.93 0.70 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 25 L 8.06 4.10 0.00 2.00 1.72 0.94 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 26 R 8.19 4.04 0.00 2.05 2.02 0.00 3.11 0.00 0.00 3.18 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.84 0.00 27 L 7.53 4.19 0.00 1.89 1.74 0.91 0.34 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 28 T 8.02 4.16 4.33 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 1.32 0.00 0.00 29 V 8.13 4.10 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 1.05 0.00 0.00 1.01 0.00 0.00 30 W 7.95 4.21 0.00 3.53 3.42 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.61 3.81 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 0.00 0.00 0.00 32 T 8.00 4.01 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 0.72 0.00 0.00 33 K 7.60 4.06 0.00 1.77 1.60 0.00 1.84 0.00 0.00 1.63 0.00 0.00 2.87 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.39 1.25 7.81 *49 E 8.55 4.42 0.00 2.08 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 2.34 2.36 0.00 50 W 8.52 4.11 0.00 3.40 3.27 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 *51 E 8.47 4.44 0.00 2.03 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 2.23 1.86 0.00 52 R 7.79 4.45 0.00 1.92 2.14 0.00 3.14 0.00 0.00 3.22 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.77 0.00 53 K 7.69 3.97 0.00 1.88 1.79 0.00 1.79 0.00 0.00 1.77 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.53 1.63 7.81 54 V 7.33 3.41 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.41 0.00 0.00 -0.15 0.00 0.00 55 D 7.72 4.33 0.00 2.53 2.36 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 56 F 7.58 4.26 0.00 2.95 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 57 L 7.97 4.04 0.00 1.83 1.70 0.90 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 58 E 7.96 4.06 0.00 2.07 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 2.29 2.52 0.00 59 E 8.03 4.07 0.00 2.04 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 2.39 2.53 0.00 60 N 8.31 4.37 0.00 2.72 2.83 0.00 0.00 7.09 7.30 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 61 I 7.74 4.17 1.93 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 1.53 0.59 0.91 0.00 0.00 62 T 7.46 3.99 4.36 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 1.21 0.00 0.00 63 A 8.05 3.97 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 64 L 8.49 4.10 0.00 1.84 1.74 0.93 0.66 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 65 L 7.93 4.09 0.00 1.87 1.71 0.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 66 E 7.89 3.96 0.00 2.09 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 2.49 0.00 67 E 8.39 3.93 0.00 2.05 1.99 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 2.33 2.57 0.00 68 A 7.71 4.04 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.88 4.02 0.00 2.32 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.68 0.00 0.00 0.00 0.00 0.00 2.36 2.44 0.00 70 I 8.26 4.61 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 1.50 1.38 0.92 0.00 0.00 71 Q 8.25 3.99 0.00 2.25 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.76 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 72 Q 7.76 4.20 0.00 2.28 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.74 0.00 0.00 0.00 0.00 0.00 2.41 2.73 0.00 73 E 7.99 4.18 0.00 2.24 2.04 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 2.35 2.64 0.00 74 K 8.00 4.02 0.00 1.91 1.85 0.00 1.66 0.00 0.00 1.79 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.72 7.81 75 N 8.19 4.42 0.00 2.89 2.91 0.00 0.00 6.96 7.28 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 76 M 7.94 4.14 0.00 2.01 2.33 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.63 0.00 77 Y 7.89 4.08 0.00 3.16 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 * Residues marked with a * may have inaccurate shift predictions.