NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4900 8.1633 118.1984 54.7028 32.4542 175.2697 2 E 3.4476 8.7978 117.0542 59.6859 28.9994 178.2605 3 K 4.1399 8.2048 118.4721 58.9892 32.6792 179.1684 4 V 3.6191 7.5714 118.0962 66.0768 31.7479 177.6001 5 Q 4.2576 8.9282 121.7527 58.6084 28.7442 178.0793 6 Y 4.1864 7.8288 119.9677 60.2342 38.9733 177.4765 7 L 3.3946 7.5934 120.1548 57.7222 41.3565 179.4336 8 T 3.8463 8.2539 110.4266 64.8037 68.4977 176.6880 9 R 3.9831 7.8171 118.8748 58.7899 29.5214 178.9923 10 S 4.0128 7.6419 114.4275 61.0741 62.9239 176.1248 11 A 3.9340 7.7739 124.1553 54.8224 18.1343 179.4046 12 I 3.8519 7.5054 117.4659 64.4308 37.2767 178.2336 13 R 4.0907 7.5520 118.8636 58.6427 30.1408 177.6587 14 R 4.3848 7.5647 114.0094 56.2798 30.6717 177.1299 15 A 4.6776 8.1736 121.1359 51.5995 19.3203 177.7663 16 S 4.4352 7.9043 111.6210 59.9225 63.2030 174.5873 17 T 4.6007 7.4167 111.3876 61.4708 68.8776 173.9693 18 I 4.7801 7.4514 120.7497 61.0548 41.3994 175.8285 19 E 4.7468 8.2070 118.9491 55.1702 29.9703 173.8976 20 M 4.8769 7.6993 125.3036 53.9155 36.4855 174.2920 21 P 4.5732 0.0000 0.0000 62.9844 30.6925 176.4877 22 Q 3.4974 7.8245 119.8852 57.4481 30.0701 175.2506 23 Q 3.8752 7.8412 114.5142 59.2640 29.2334 179.8467 24 A 4.0172 7.9596 121.2523 54.7953 18.5712 179.2508 25 R 3.7654 8.4853 117.7034 59.7414 30.0537 178.4678 26 Q 3.9028 7.9368 118.3729 59.3215 29.2009 178.0048 27 K 3.9427 8.1147 119.4060 59.5129 32.0156 179.4242 28 L 4.0019 8.3818 119.4718 57.8699 41.7619 179.2846 29 Q 4.0237 7.9025 117.7552 59.1362 28.8026 178.7351 30 N 4.3343 7.9969 117.4093 56.8549 39.0921 176.8011 31 L 4.0693 8.2414 120.6066 58.0976 41.6856 179.0701 32 F 4.0770 8.9998 120.8729 61.0490 39.3458 176.7965 33 I 3.6849 8.1076 118.6337 65.0372 37.1928 177.8687 34 N 4.3001 8.1288 116.2051 56.5322 38.3321 177.2897 35 F 3.9267 8.3464 122.0084 61.1546 39.3986 177.0184 36 C 3.8829 8.2557 116.7176 62.6461 27.9624 175.7173 37 L 3.8762 7.6934 120.4248 58.2326 41.3274 179.9095 38 I 3.5887 7.3533 118.8053 63.9555 36.9248 178.3671 39 L 3.6678 7.7190 121.5586 58.2703 42.0007 179.1356 40 I 3.7130 8.1675 119.9654 64.9336 36.9106 177.6306 41 C 4.1374 8.0742 117.9515 62.1838 27.7061 175.6470 42 L 3.9478 7.8823 122.2994 58.4924 41.6503 179.5187 43 L 4.0679 7.8311 119.0570 57.2592 41.6032 178.9298 44 L 3.9382 8.1480 118.5610 58.3799 41.6666 180.0339 45 I 3.7139 7.7778 119.5642 64.3394 36.8050 177.8851 46 C 4.0229 7.8262 114.1170 61.6141 29.5767 175.4670 47 I 3.8279 7.8064 122.6031 63.8208 36.7462 178.0084 48 I 3.6258 7.7470 120.0648 64.6760 35.6787 178.5383 49 V 3.5982 8.0236 118.9873 66.3049 30.8905 177.5869 50 M 4.2783 7.7352 117.0916 58.2059 32.2096 177.8535 51 L 4.0630 7.8793 120.9581 57.7997 41.8428 177.6653 *52 L 4.1390 7.1785 120.5462 54.3830 41.6401 179.9133 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 4.49 0.00 2.23 2.33 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.59 0.00 2 E 8.80 3.45 0.00 2.12 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 0.00 2.42 2.47 0.00 3 K 8.20 4.14 0.00 1.85 1.91 0.00 1.66 0.00 0.00 1.76 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.53 1.51 7.81 4 V 7.57 3.62 2.31 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 0.94 0.00 0.00 0.96 0.00 0.00 5 Q 8.93 4.26 0.00 2.07 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.62 0.00 0.00 0.00 0.00 0.00 2.40 2.27 0.00 6 Y 7.83 4.19 0.00 3.13 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 7 L 7.59 3.39 0.00 1.74 1.59 1.07 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 8 T 8.25 3.85 4.21 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 0.00 0.00 0.00 1.19 0.00 0.00 9 R 7.82 3.98 0.00 2.02 2.51 0.00 2.81 0.00 0.00 3.41 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.60 0.00 10 S 7.64 4.01 0.00 3.87 3.82 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 0.00 0.00 0.00 11 A 7.77 3.93 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 12 I 7.51 3.85 1.84 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 1.39 0.54 0.89 0.00 0.00 13 R 7.55 4.09 0.00 1.86 2.06 0.00 3.29 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.69 0.00 14 R 7.56 4.38 0.00 1.79 1.92 0.00 3.15 0.00 0.00 3.21 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.72 0.00 15 A 8.17 4.68 1.30 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 0.00 0.00 0.00 0.00 0.00 0.00 16 S 7.90 4.44 0.00 3.98 4.08 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 0.00 0.00 0.00 0.00 17 T 7.42 4.60 4.23 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 1.20 0.00 0.00 18 I 7.45 4.78 2.00 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 1.45 0.64 0.89 0.00 0.00 19 E 8.21 4.75 0.00 2.00 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 2.16 2.31 0.00 20 M 7.70 4.88 0.00 2.02 1.91 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.50 0.00 21 P 0.00 4.57 0.00 2.17 2.13 0.00 3.90 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 22 Q 7.82 3.50 0.00 2.19 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.21 6.61 0.00 0.00 0.00 0.00 0.00 2.25 2.30 0.00 23 Q 7.84 3.88 0.00 2.13 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.69 0.00 0.00 0.00 0.00 0.00 2.46 2.62 0.00 24 A 7.96 4.02 1.30 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 0.00 0.00 0.00 0.00 0.00 0.00 25 R 8.49 3.77 0.00 1.82 1.98 0.00 3.08 0.00 0.00 3.07 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 26 Q 7.94 3.90 0.00 2.16 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.63 0.00 0.00 0.00 0.00 0.00 2.43 2.45 0.00 27 K 8.11 3.94 0.00 2.05 1.87 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.50 7.81 28 L 8.38 4.00 0.00 1.88 1.69 0.89 0.83 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 29 Q 7.90 4.02 0.00 2.12 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.79 0.00 0.00 0.00 0.00 0.00 2.51 2.52 0.00 30 N 8.00 4.33 0.00 2.76 2.84 0.00 0.00 7.31 8.03 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 31 L 8.24 4.07 0.00 1.90 1.76 0.95 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 32 F 9.00 4.08 0.00 3.20 3.26 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 33 I 8.11 3.68 2.08 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.99 0.95 0.00 0.00 34 N 8.13 4.30 0.00 2.83 2.89 0.00 0.00 6.97 7.92 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 35 F 8.35 3.93 0.00 3.21 2.89 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 0.00 0.00 0.00 36 C 8.26 3.88 0.00 2.92 2.82 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 0.00 0.00 0.00 37 L 7.69 3.88 0.00 1.74 1.68 0.90 0.72 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 38 I 7.35 3.59 1.44 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.01 0.72 0.00 0.00 39 L 7.72 3.67 0.00 1.63 1.58 1.07 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 40 I 8.17 3.71 1.81 0.00 0.00 0.83 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 0.54 0.88 0.00 0.00 41 C 8.07 4.14 0.00 3.05 2.85 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 42 L 7.88 3.95 0.00 1.66 1.71 0.83 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 43 L 7.83 4.07 0.00 1.91 1.64 0.95 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 44 L 8.15 3.94 0.00 1.68 1.74 0.90 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 45 I 7.78 3.71 2.01 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.86 0.89 0.00 0.00 46 C 7.83 4.02 0.00 3.12 3.25 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 47 I 7.81 3.83 1.94 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 1.63 0.83 0.91 0.00 0.00 48 I 7.75 3.63 2.03 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.94 0.90 0.00 0.00 49 V 8.02 3.60 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 0.94 0.00 0.00 0.94 0.00 0.00 50 M 7.74 4.28 0.00 2.22 2.06 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.71 0.00 51 L 7.88 4.06 0.00 1.76 1.71 0.92 0.73 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 *52 L 7.18 4.14 0.00 1.47 1.48 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.