NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 E 4.2162 8.2985 121.4701 56.1143 31.5144 177.0429 13 A 4.1043 8.0080 119.0791 51.8389 17.9916 176.3281 14 R 3.7598 7.5040 116.0855 59.6620 31.2297 174.2279 15 K 4.1533 8.0060 116.4855 58.2901 33.7009 176.0428 16 L 4.3011 8.9649 125.2047 56.1271 40.3722 175.9072 17 S 4.1448 8.3732 112.3415 60.7333 61.5147 174.4402 18 P 4.1826 0.0000 0.0000 65.5333 31.0952 178.3678 19 V 4.0195 7.9611 116.6115 67.0310 31.0589 176.9797 20 E 4.0957 8.2896 118.4851 58.7833 29.2410 178.8877 21 L 3.9571 9.1257 120.3049 57.7924 41.9119 179.6284 22 E 3.8657 9.4951 119.8472 59.0510 29.3987 178.5193 23 K 3.8145 7.4337 118.2041 59.4975 32.4628 177.7850 24 L 4.0933 8.0211 120.8180 58.3960 41.8720 179.2869 25 V 3.6592 8.3869 118.9844 64.8791 30.9603 177.8652 26 R 4.4693 8.1467 116.5663 55.8690 30.5498 176.5363 27 E 4.6507 8.9875 120.0139 56.3509 35.2277 177.0951 28 K 3.9082 8.4878 120.0343 59.1616 31.5055 178.9774 29 K 3.8094 7.9250 118.6553 59.3688 31.9184 179.2673 30 R 3.9288 7.8317 114.4775 59.1031 29.4508 177.5339 31 E 4.1095 7.9688 119.3155 57.4024 29.8188 178.8254 32 L 4.0254 8.2047 117.5853 54.5241 42.2157 180.0157 33 M 2.9839 5.8600 112.7931 55.0047 34.0109 179.6848 34 E 3.9007 9.1752 134.8949 57.5998 29.2943 173.7668 35 L 4.3141 8.2602 127.6728 55.5288 40.0960 176.7174 36 R 4.7145 9.0214 124.1463 56.6695 31.4162 175.4755 37 F 4.6593 8.0106 118.2525 55.4952 39.5751 173.5984 38 Q 3.9889 8.1351 123.4940 58.3478 29.3169 177.7402 39 A 4.1899 6.9447 121.6583 50.8590 16.8406 177.5106 40 S 4.4110 7.3955 113.8053 62.7794 64.4671 177.9978 41 I 3.5846 8.8665 118.7837 62.1283 38.1430 181.3675 42 G 3.2322 8.9427 108.7385 45.2341 0.0000 177.2441 43 Q 4.2013 5.7400 124.9396 58.6577 29.1440 177.6271 44 L 3.9041 9.2157 121.1875 58.2159 42.5406 178.8971 45 S 4.2671 7.9608 111.7467 59.4338 62.3677 175.4608 46 Q 4.0078 7.5741 123.8425 59.6572 29.0543 178.2828 47 N 5.2255 8.3381 118.3868 55.4898 36.5397 175.8854 48 H 4.6965 8.5721 118.4548 55.6965 30.9282 174.3469 49 K 4.0966 9.0867 125.5206 55.9275 38.7643 177.4491 50 I 3.4659 8.6478 125.6692 63.9054 38.5295 174.8394 51 R 3.7543 8.3108 124.1044 54.9998 28.1521 175.4603 52 D 5.0636 8.0026 124.8238 54.7253 41.8809 177.0758 53 L 4.2865 5.6200 116.6609 56.0720 43.1978 176.4942 54 K 3.9214 9.4737 123.7326 57.2824 28.7764 176.8617 55 R 4.4648 8.1348 114.7910 56.1962 33.0476 174.7355 56 Q 4.2314 7.9638 116.2897 55.6125 28.1950 174.2000 57 I 4.1439 8.0574 123.9731 59.2342 38.6933 174.7591 58 A 3.9175 8.5500 130.8191 52.4205 17.7302 177.4177 59 R 4.0858 8.2688 123.0732 56.2957 28.3572 175.9347 60 L 4.0010 8.1272 125.1180 55.7651 42.6270 176.0738 61 L 3.5218 8.4415 122.1731 56.7151 39.3689 175.6331 *62 T 4.1515 7.9908 115.3337 61.1307 69.1019 176.3855 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 12 E 8.30 4.22 0.00 1.98 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 2.27 2.26 0.00 13 A 8.01 4.10 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.50 3.76 0.00 1.85 1.87 0.00 3.19 0.00 0.00 3.39 7.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.65 0.00 15 K 8.01 4.15 0.00 1.92 1.93 0.00 1.33 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.63 1.38 7.81 16 L 8.96 4.30 0.00 1.80 2.26 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 17 S 8.37 4.14 0.00 3.93 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 18 P 0.00 4.18 0.00 2.19 2.07 0.00 3.67 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.13 0.00 19 V 7.96 4.02 2.20 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 1.07 0.00 0.00 0.93 0.00 0.00 20 E 8.29 4.10 0.00 2.23 1.89 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 0.00 2.33 2.53 0.00 21 L 9.13 3.96 0.00 1.65 1.74 0.95 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 22 E 9.50 3.87 0.00 2.28 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 2.30 2.35 0.00 23 K 7.43 3.81 0.00 1.74 2.05 0.00 1.88 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.46 7.81 24 L 8.02 4.09 0.00 1.79 1.83 0.94 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 25 V 8.39 3.66 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 0.81 0.00 0.00 0.90 0.00 0.00 26 R 8.15 4.47 0.00 1.93 1.97 0.00 3.17 0.00 0.00 3.14 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 27 E 8.99 4.65 0.00 2.04 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 2.22 2.25 0.00 28 K 8.49 3.91 0.00 2.03 1.57 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.25 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.43 1.61 7.81 29 K 7.92 3.81 0.00 1.78 1.78 0.00 1.68 0.00 0.00 1.83 0.00 0.00 2.97 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.42 7.81 30 R 7.83 3.93 0.00 1.96 2.05 0.00 3.20 0.00 0.00 3.34 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.62 0.00 31 E 7.97 4.11 0.00 2.25 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 0.00 2.91 2.80 0.00 32 L 8.20 4.03 0.00 1.38 1.27 0.98 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 33 M 5.86 2.98 0.00 2.14 1.53 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.50 0.00 34 E 9.18 3.90 0.00 2.12 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 2.39 2.28 0.00 35 L 8.26 4.31 0.00 1.80 1.83 0.93 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 36 R 9.02 4.71 0.00 2.04 2.02 0.00 3.40 0.00 0.00 3.18 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.71 0.00 37 F 8.01 4.66 0.00 3.06 2.91 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 38 Q 8.14 3.99 0.00 1.92 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.49 0.00 0.00 0.00 0.00 0.00 2.32 2.28 0.00 39 A 6.94 4.19 0.98 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 0.00 0.00 40 S 7.40 4.41 0.00 4.10 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 41 I 8.87 3.58 1.90 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 1.37 1.10 0.92 0.00 0.00 42 G 8.94 3.23 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 0.00 43 Q 5.74 4.20 0.00 2.73 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.78 0.00 0.00 0.00 0.00 0.00 2.44 2.40 0.00 44 L 9.22 3.90 0.00 1.81 1.65 0.82 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 45 S 7.96 4.27 0.00 3.89 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 46 Q 7.57 4.01 0.00 2.15 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.91 0.00 0.00 0.00 0.00 0.00 2.41 2.58 0.00 47 N 8.34 5.23 0.00 2.98 3.09 0.00 0.00 6.38 7.90 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 48 H 8.57 4.70 0.00 3.04 3.60 0.00 5.79 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 49 K 9.09 4.10 0.00 1.85 1.40 0.00 1.82 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.32 1.46 7.81 50 I 8.65 3.47 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.94 0.92 0.00 0.00 51 R 8.31 3.75 0.00 1.96 2.06 0.00 3.56 0.00 0.00 3.15 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 52 D 8.00 5.06 0.00 2.87 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 53 L 5.62 4.29 0.00 1.74 1.65 0.92 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 54 K 9.47 3.92 0.00 1.97 1.96 0.00 1.79 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.32 1.41 7.81 55 R 8.13 4.46 0.00 1.73 1.98 0.00 3.24 0.00 0.00 3.27 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.56 0.00 56 Q 7.96 4.23 0.00 2.23 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.78 0.00 0.00 0.00 0.00 0.00 2.37 2.27 0.00 57 I 8.06 4.14 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 1.35 0.72 0.91 0.00 0.00 58 A 8.55 3.92 1.26 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 0.00 0.00 59 R 8.27 4.09 0.00 1.76 1.89 0.00 3.31 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 60 L 8.13 4.00 0.00 1.62 1.57 0.92 1.07 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 61 L 8.44 3.52 0.00 1.81 1.72 0.92 0.82 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 *62 T 7.99 4.15 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 * Residues marked with a * may have inaccurate shift predictions.