NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6897 8.1633 120.2775 55.5234 34.1269 173.7296 2 Y 4.9335 8.7164 117.3102 55.8350 41.5196 173.6193 3 L 5.2777 8.9671 122.4091 53.0335 46.1058 176.3795 4 T 4.6921 9.4274 113.5858 61.3215 70.4151 175.1689 5 L 4.1719 9.5499 122.7514 58.8056 42.0906 178.7083 6 Q 4.0604 8.2868 117.2165 59.3376 28.4385 178.9874 7 E 4.0538 8.1308 118.4147 58.8802 29.9558 178.8160 8 W 4.1495 8.6209 128.9049 60.4864 30.8831 177.6031 9 N 4.0126 8.5728 116.8833 56.5677 38.2215 176.7094 10 A 4.0461 7.7701 120.6259 54.2964 18.4901 178.7134 11 R 4.2294 7.1353 114.0651 55.4477 30.6611 176.5536 12 Q 4.0692 6.6303 117.9515 54.3862 29.9221 175.8835 13 R 3.8897 8.4153 119.9982 59.0622 30.0276 176.6520 14 R 4.4545 7.4246 115.6702 53.1106 31.5253 172.5207 15 P 4.3793 0.0000 0.0000 62.6632 32.0372 176.3615 16 R 4.8428 8.0492 120.8613 53.8957 33.6160 175.9818 17 S 4.3089 8.1496 112.6036 58.6796 65.0192 174.8349 18 L 3.9289 8.3835 123.2510 57.8525 41.5021 179.2191 19 E 3.8542 8.1588 118.8143 59.8202 29.4635 179.0598 20 T 3.5367 7.5001 115.0879 66.3727 68.3296 176.9606 21 V 2.9588 7.3288 120.0717 65.8450 31.5281 178.3019 22 R 3.8256 7.9974 117.8797 59.0169 29.8504 178.8920 23 R 3.8611 7.6956 118.2251 59.3515 30.0652 178.5498 24 W 4.4480 8.0166 118.6246 59.8258 29.0667 178.6751 25 V 3.3871 8.0719 118.2899 66.1343 30.7280 178.3930 26 R 3.9533 7.8530 116.3011 58.7437 29.9405 177.9235 27 E 4.2917 7.9529 115.8115 55.3763 30.3439 176.0621 28 S 3.5629 7.7086 114.1342 59.9952 60.6760 172.4722 29 R 4.5796 7.9182 117.6127 56.2288 31.8402 176.8816 30 I 4.8886 7.2376 121.0164 59.4482 39.8017 174.5089 31 F 4.9998 9.1038 125.3718 54.7234 42.6070 173.1248 32 P 4.9791 0.0000 0.0000 61.7756 32.1716 174.4635 33 P 4.5047 0.0000 0.0000 61.2459 31.9787 174.4733 34 P 4.3853 0.0000 0.0000 62.5519 32.3498 175.9464 35 V 3.7448 8.4112 121.9627 62.8231 32.6436 174.7190 36 K 4.1867 8.5460 129.4490 55.6827 33.2308 176.1855 37 D 4.6194 8.5208 127.1535 52.7126 42.6954 177.8128 38 G 3.7953 8.1151 117.1055 46.4688 0.0000 173.1567 39 R 4.1071 8.9563 123.0267 56.1503 30.8767 175.3843 40 E 4.6018 7.8622 119.8677 54.4821 31.4015 173.6580 41 Y 4.9444 8.3752 121.6864 56.1166 40.7924 174.8816 42 L 5.0454 9.0286 123.5946 53.1106 44.7206 175.2444 43 F 5.0597 9.6101 123.5233 55.5504 41.1779 175.0053 44 H 3.3447 8.9787 123.7402 55.9653 30.1397 175.8608 45 E 3.9786 7.9878 123.0912 59.1923 29.3678 178.0394 46 S 4.4693 8.0487 111.2027 58.4855 63.7322 173.9113 47 A 4.6735 8.3199 124.1154 52.3925 19.0751 177.6297 48 V 4.8080 8.9031 113.3040 59.2911 36.0882 175.1597 49 K 4.6030 9.0814 125.8783 56.6758 32.8144 176.0142 50 V 4.5541 8.5809 119.4174 59.5468 35.7785 174.6005 51 D 4.6969 8.4047 121.3955 53.1737 41.3125 177.3290 52 L 4.1990 8.5886 124.8620 56.5110 42.1461 176.9547 53 N 5.1004 7.6731 114.3010 50.8044 41.4801 174.5407 54 R 3.9054 8.3990 122.5104 56.5021 30.9326 175.8451 *55 P 4.2222 0.0000 0.0000 62.4480 31.4591 177.0895 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 M 8.16 4.69 0.00 2.05 2.16 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.64 0.00 2 Y 8.72 4.93 0.00 2.92 2.95 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 0.00 0.00 0.00 3 L 8.97 5.28 0.00 1.80 1.79 1.03 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 4 T 9.43 4.69 4.67 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 1.35 0.00 0.00 5 L 9.55 4.17 0.00 2.11 1.87 1.17 1.12 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 6 Q 8.29 4.06 0.00 2.16 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.70 0.00 0.00 0.00 0.00 0.00 2.51 2.46 0.00 7 E 8.13 4.05 0.00 2.32 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 2.39 2.37 0.00 8 W 8.62 4.15 0.00 3.25 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 N 8.57 4.01 0.00 3.09 3.03 0.00 0.00 7.16 8.25 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 10 A 7.77 4.05 1.33 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 0.00 0.00 11 R 7.14 4.23 0.00 1.75 1.81 0.00 3.31 0.00 0.00 3.18 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 12 Q 6.63 4.07 0.00 1.74 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.92 0.00 0.00 0.00 0.00 0.00 1.33 1.16 0.00 13 R 8.42 3.89 0.00 1.69 1.91 0.00 3.15 0.00 0.00 3.19 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 14 R 7.42 4.45 0.00 1.79 1.85 0.00 3.44 0.00 0.00 3.22 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 15 P 0.00 4.38 0.00 2.01 2.02 0.00 3.58 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.13 0.00 16 R 8.05 4.84 0.00 1.52 1.73 0.00 3.46 0.00 0.00 3.34 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.85 0.00 17 S 8.15 4.31 0.00 3.98 3.93 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.38 3.93 0.00 1.69 1.77 0.94 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.16 3.85 0.00 1.98 1.88 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 2.31 2.37 0.00 20 T 7.50 3.54 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 0.28 0.00 0.00 21 V 7.33 2.96 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 1.20 0.00 0.00 0.88 0.00 0.00 22 R 8.00 3.83 0.00 2.08 1.96 0.00 3.27 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.80 0.00 23 R 7.70 3.86 0.00 1.95 2.02 0.00 3.08 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.70 0.00 24 W 8.02 4.45 0.00 3.59 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 25 V 8.07 3.39 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 -0.04 0.00 0.00 0.77 0.00 0.00 26 R 7.85 3.95 0.00 1.98 1.98 0.00 3.22 0.00 0.00 3.24 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.82 0.00 27 E 7.95 4.29 0.00 2.03 2.03 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 2.35 2.56 0.00 28 S 7.71 3.56 0.00 4.03 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 29 R 7.92 4.58 0.00 1.85 1.86 0.00 3.21 0.00 0.00 3.26 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 30 I 7.24 4.89 1.73 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.11 0.85 0.00 0.00 31 F 9.10 5.00 0.00 3.06 2.97 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 32 P 0.00 4.98 0.00 2.12 2.13 0.00 3.87 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.99 0.00 33 P 0.00 4.50 0.00 2.04 1.83 0.00 3.39 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.85 0.00 34 P 0.00 4.39 0.00 1.63 0.49 0.00 3.41 0.00 0.00 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.91 0.00 35 V 8.41 3.74 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 0.64 0.00 0.00 0.83 0.00 0.00 36 K 8.55 4.19 0.00 1.83 1.62 0.00 1.77 0.00 0.00 1.57 0.00 0.00 2.81 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.16 0.84 7.81 37 D 8.52 4.62 0.00 2.63 2.37 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 38 G 8.12 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.96 4.11 0.00 1.76 1.94 0.00 3.16 0.00 0.00 3.12 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.55 0.00 40 E 7.86 4.60 0.00 1.99 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.33 0.00 41 Y 8.38 4.94 0.00 2.81 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 0.00 0.00 0.00 0.00 42 L 9.03 5.05 0.00 1.52 1.69 0.87 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 43 F 9.61 5.06 0.00 2.93 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 44 H 8.98 3.34 0.00 2.91 3.10 0.00 5.68 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 E 7.99 3.98 0.00 2.11 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 2.01 2.19 0.00 46 S 8.05 4.47 0.00 4.08 4.12 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.32 4.67 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.90 4.81 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 0.77 0.00 0.00 1.03 0.00 0.00 49 K 9.08 4.60 0.00 1.68 1.42 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.32 0.00 0.00 2.57 0.00 0.00 0.00 0.00 0.97 0.69 7.81 50 V 8.58 4.55 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 0.81 0.00 0.00 1.14 0.00 0.00 51 D 8.40 4.70 0.00 2.63 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.59 4.20 0.00 1.66 1.77 1.03 1.27 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 53 N 7.67 5.10 0.00 2.67 2.69 0.00 0.00 6.94 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 54 R 8.40 3.91 0.00 1.79 1.86 0.00 3.23 0.00 0.00 3.25 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 *55 P 0.00 4.22 0.00 1.83 1.86 0.00 3.64 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 2.08 0.00 * Residues marked with a * may have inaccurate shift predictions.