NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8803 8.3549 109.7359 45.3301 0.0000 172.8450 2 K 4.2872 8.3806 118.9186 52.4619 33.4525 174.9443 3 K 4.4581 8.3276 123.7691 55.7085 35.4444 176.3345 4 S 4.7144 8.0660 114.9631 56.6303 66.3920 174.7859 5 K 3.7531 8.6215 123.0057 60.0152 31.6917 178.6290 6 A 3.9688 7.9048 120.0686 55.5195 18.3580 179.4934 7 T 3.8139 7.7509 113.8224 66.6716 68.4072 176.7162 8 K 3.9305 8.4117 121.8561 59.4872 32.1373 179.0294 9 K 3.9789 7.9843 118.7655 59.3319 31.8149 179.6358 10 R 3.8868 7.9978 118.3443 59.3436 30.1231 178.7989 11 L 3.9418 8.2292 118.8373 57.8756 41.6758 179.4921 12 A 3.9798 8.2655 120.7022 55.0887 18.3150 179.4784 13 K 3.8370 8.1434 118.1087 59.7971 32.1536 178.6797 14 L 4.1229 8.1534 119.4036 58.1213 41.3158 179.1346 15 D 4.3419 8.0169 116.7786 57.3723 41.2275 177.5462 16 N 4.4784 7.7866 116.2552 56.6959 39.2736 176.7480 17 Q 4.1833 8.3633 119.4823 58.2825 28.4655 176.8196 18 N 4.6028 7.6755 117.5176 53.2220 39.9047 174.4602 19 S 4.7003 7.4307 113.0108 55.8955 65.5379 173.0853 20 R 4.2348 8.0096 120.4279 54.6960 30.9268 175.8587 21 V 3.5343 8.0821 122.0430 61.8210 31.6074 173.9584 22 P 4.0966 0.0000 0.0000 62.9894 31.4930 176.7240 23 A 3.9772 8.9453 124.2117 55.3870 18.5455 179.8125 24 W 4.3287 8.2523 112.9803 59.7525 28.2495 178.5894 25 V 3.1628 6.8308 118.9648 65.5331 30.7227 177.9651 26 M 3.9856 7.6487 118.3955 58.3400 31.8306 178.6823 27 L 4.0171 7.8461 118.5421 57.7526 41.7414 179.3775 28 K 4.2221 8.4431 118.5689 58.4716 32.1507 177.3303 29 T 4.4592 7.4669 106.6983 60.3873 68.9943 173.5121 30 D 4.3055 8.5969 119.4254 55.3743 39.2002 170.1499 31 E 3.6283 7.9385 123.5595 55.5921 30.2526 174.7331 *35 R 3.8589 8.3107 119.9227 56.1273 31.1929 174.9818 36 N 4.6150 8.2062 121.6469 52.0123 38.3709 174.5184 37 H 4.5164 8.4070 121.2250 57.0928 28.9590 176.4376 38 K 4.5747 8.1894 118.8261 55.9036 32.3384 176.3914 39 R 4.0034 7.6075 119.3793 56.2403 30.2689 176.2817 40 R 4.5010 8.4113 122.2658 54.6093 32.5934 173.7347 41 H 4.7525 8.6198 125.2993 54.3786 31.0920 175.5735 42 W 4.2354 8.6599 123.7556 59.6059 28.0746 177.4069 43 R 3.8018 6.0395 117.5979 58.5965 29.6724 177.6895 44 R 3.8995 7.7523 114.9494 58.2278 30.2572 176.0158 45 N 4.9531 7.9522 114.8160 51.6352 41.0958 173.2648 46 D 4.5443 8.1390 117.7705 53.6193 43.8053 175.3167 47 T 4.2849 8.3557 117.2087 60.9818 70.5153 173.1062 48 D 4.6316 8.2564 121.7330 53.9552 42.5395 176.7540 49 E 4.1455 8.6398 118.4094 56.9921 28.9006 174.9402 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 1 G 8.35 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 0.00 0.00 0.00 2 K 8.38 4.29 0.00 1.81 1.74 0.00 1.75 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.34 1.43 7.81 3 K 8.33 4.46 0.00 1.85 1.79 0.00 1.55 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.41 7.81 4 S 8.07 4.71 0.00 4.06 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 5 K 8.62 3.75 0.00 1.84 1.88 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.52 1.54 7.81 6 A 7.90 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 7 T 7.75 3.81 4.47 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 1.25 0.00 0.00 8 K 8.41 3.93 0.00 1.80 2.00 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.48 7.81 9 K 7.98 3.98 0.00 2.03 1.85 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.74 7.81 10 R 8.00 3.89 0.00 2.06 1.97 0.00 3.30 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.88 0.00 11 L 8.23 3.94 0.00 1.80 1.74 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 12 A 8.27 3.98 1.43 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 0.00 0.00 0.00 13 K 8.14 3.84 0.00 1.83 1.99 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.50 7.81 14 L 8.15 4.12 0.00 1.95 1.74 0.94 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 15 D 8.02 4.34 0.00 2.67 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 16 N 7.79 4.48 0.00 2.78 2.97 0.00 0.00 7.28 7.37 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 17 Q 8.36 4.18 0.00 2.29 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.92 0.00 0.00 0.00 0.00 0.00 2.39 2.58 0.00 18 N 7.68 4.60 0.00 2.89 2.96 0.00 0.00 7.07 8.56 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 19 S 7.43 4.70 0.00 4.02 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 20 R 8.01 4.23 0.00 1.77 1.84 0.00 3.22 0.00 0.00 3.13 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 21 V 8.08 3.53 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 0.68 0.00 0.00 0.84 0.00 0.00 22 P 0.00 4.10 0.00 1.73 2.19 0.00 3.56 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.77 0.00 23 A 8.95 3.98 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 24 W 8.25 4.33 0.00 3.62 3.33 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 0.00 25 V 6.83 3.16 1.68 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 0.73 0.00 0.00 -0.67 0.00 0.00 26 M 7.65 3.99 0.00 2.02 2.22 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.63 0.00 27 L 7.85 4.02 0.00 1.95 1.78 0.99 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 28 K 8.44 4.22 0.00 2.02 1.99 0.00 2.19 0.00 0.00 2.14 0.00 0.00 3.22 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.56 1.58 7.81 29 T 7.47 4.46 4.22 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 1.25 0.00 0.00 30 D 8.60 4.31 0.00 2.78 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.94 3.63 0.00 2.12 1.94 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 2.22 2.26 0.00 *35 R 8.31 3.86 0.00 1.72 1.70 0.00 3.20 0.00 0.00 3.15 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.59 0.00 36 N 8.21 4.61 0.00 2.64 2.66 0.00 0.00 7.22 7.89 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 37 H 8.41 4.52 0.00 3.18 3.31 0.00 5.73 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 K 8.19 4.57 0.00 1.84 1.79 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.38 7.81 39 R 7.61 4.00 0.00 1.76 1.88 0.00 3.12 0.00 0.00 3.14 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 40 R 8.41 4.50 0.00 1.73 1.80 0.00 3.25 0.00 0.00 3.17 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 41 H 8.62 4.75 0.00 3.16 3.03 0.00 5.93 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 W 8.66 4.24 0.00 3.49 3.13 0.00 0.00 0.00 0.00 0.00 0.00 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 R 6.04 3.80 0.00 0.67 1.27 0.00 2.46 0.00 0.00 2.88 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.27 0.00 44 R 7.75 3.90 0.00 1.76 1.91 0.00 3.32 0.00 0.00 3.12 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.48 0.00 45 N 7.95 4.95 0.00 2.94 2.76 0.00 0.00 6.71 7.66 0.00 0.00 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 D 8.14 4.54 0.00 2.58 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 47 T 8.36 4.28 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 1.24 0.00 0.00 48 D 8.26 4.63 0.00 2.69 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.64 4.15 0.00 2.12 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.28 0.00 * Residues marked with a * may have inaccurate shift predictions.