NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *1 H 4.3351 8.5445 117.3749 55.4164 28.5722 174.9412 *2 H 3.7064 7.7884 118.5748 54.5993 24.5146 171.0564 *3 H 4.8459 8.7823 125.7336 51.9080 27.9381 170.8277 4 A 4.8506 7.9515 131.8006 51.7863 19.8516 175.8650 5 M 4.9412 8.1423 117.4832 55.3028 35.6983 175.2972 6 D 4.8653 8.4686 119.9507 53.3731 44.1149 175.4617 7 T 4.8830 8.0691 116.5294 62.5830 69.4784 174.1892 8 Y 5.0506 9.5750 124.3548 56.3342 41.5610 174.6732 9 K 4.9890 9.3009 121.5274 54.8905 36.3517 174.4436 10 L 4.9122 8.9000 129.1384 53.1272 44.5618 174.9371 11 V 4.8110 9.3916 126.7959 61.0742 34.6478 174.0341 12 I 4.8092 8.9831 128.7073 59.6710 40.1108 174.4604 13 V 4.4964 8.6137 128.3643 60.1233 33.0875 174.2059 14 L 5.3636 8.5801 126.1813 54.6303 41.2283 179.9457 15 N 4.5830 8.7035 125.3254 53.1596 37.1333 175.5157 16 G 4.0781 8.5904 109.2361 45.4628 0.0000 171.2711 17 T 4.7167 7.3418 108.5400 59.9007 71.2433 173.0963 18 T 5.0543 8.2848 118.8183 61.8735 72.0859 172.8451 19 F 5.0416 9.3286 128.6240 56.5757 42.0179 174.2659 20 T 5.5049 7.5795 113.9850 58.9736 72.1683 172.4314 21 Y 4.9379 8.1481 123.1545 56.2601 42.3651 173.5963 22 T 5.0618 8.5212 116.0581 60.3068 71.5652 172.8743 23 T 4.6645 9.5442 119.2983 60.8292 71.4917 172.3317 24 E 4.9669 8.7235 124.1074 56.4767 30.4201 175.8836 25 A 4.7029 8.8600 122.9563 50.7417 22.7208 178.0081 26 V 3.6150 8.4585 119.3668 64.4492 32.0495 176.0788 27 D 4.8032 7.5926 119.4446 51.3278 43.2277 175.6052 28 A 3.4309 8.4996 120.0138 54.9287 18.1566 179.4017 29 A 3.8165 7.8394 118.8977 55.5553 18.5099 179.9277 30 T 3.6153 8.6482 114.1654 66.7326 68.5047 176.8790 31 A 3.4171 7.4414 122.5877 54.8881 18.2220 179.2762 32 E 3.2067 8.0908 118.0023 58.8985 29.5433 179.3178 33 K 3.8203 7.4339 118.7019 59.1649 32.1143 179.4814 34 V 3.5151 7.3516 118.1708 66.0497 31.4470 177.9896 35 F 5.0077 7.9233 117.6675 60.9699 38.9068 177.8587 36 K 4.1166 8.2272 118.0652 59.3629 31.7818 179.1628 37 Q 3.9908 8.1590 119.8880 59.5094 28.8235 177.7530 38 Y 4.3314 8.1801 118.8866 60.6434 39.0687 177.7399 39 A 3.9151 8.5102 121.8324 55.1072 18.2035 178.8356 40 N 4.2280 8.0961 114.7902 57.1761 38.8659 176.6039 41 D 4.6280 7.9942 117.6569 56.0481 40.8646 176.7112 42 N 4.7269 8.3705 115.7726 52.7918 39.3886 174.9884 43 G 3.7758 8.1036 105.0084 45.1923 0.0000 173.7256 44 V 4.1286 7.4641 118.8506 60.8364 32.2252 174.2268 45 D 5.0333 8.3805 126.6785 51.9903 43.4874 175.3071 46 G 3.9940 7.9636 110.1213 46.6799 0.0000 170.7422 47 E 4.9409 7.9746 120.3713 54.4926 31.2923 175.5171 48 W 5.4806 9.1122 126.2629 55.5860 32.0916 175.2810 49 T 4.9555 9.0158 111.2390 60.6841 72.0092 171.8981 50 Y 5.0753 8.8704 123.9498 55.7761 42.4200 174.1959 51 A 4.3773 7.3907 126.6050 49.7919 20.9521 176.2986 52 D 4.0245 8.3518 121.8904 57.9094 41.8179 178.3784 53 A 3.9290 8.0056 121.2377 54.8542 18.3146 177.9605 54 T 4.3255 7.6372 101.9612 60.3657 69.4807 174.1665 55 K 4.0630 7.4336 119.8066 57.0700 30.5161 174.2063 56 T 5.2265 7.2102 113.6541 61.8538 71.6520 173.6634 57 F 5.3240 9.5022 125.6001 56.7301 41.1360 174.9247 58 T 5.1530 9.1798 120.4772 61.6351 71.8111 173.0839 59 V 4.8589 8.7302 126.2004 60.2166 34.2591 174.2210 60 T 4.9533 9.6524 121.6645 59.6846 71.1536 173.8644 61 E 4.7790 7.7917 122.6446 56.6501 31.8123 177.1978 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 H 8.54 4.34 0.00 2.95 2.99 0.00 7.17 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *2 H 7.79 3.71 0.00 3.08 3.26 0.00 7.14 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *3 H 8.78 4.85 0.00 2.90 2.90 0.00 7.11 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 A 7.95 4.85 1.23 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 5 M 8.14 4.94 0.00 2.10 1.99 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.49 0.00 6 D 8.47 4.87 0.00 2.59 2.17 0.00 0.00 0.00 0.00 0.00 0.00 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 8.07 4.88 4.18 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 0.00 0.00 0.00 1.22 0.00 0.00 8 Y 9.57 5.05 0.00 2.98 3.37 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 9 K 9.30 4.99 0.00 1.85 1.63 0.00 1.57 0.00 0.00 1.55 0.00 0.00 2.73 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.28 1.34 7.81 10 L 8.90 4.91 0.00 0.27 0.79 0.56 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 11 V 9.39 4.81 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 0.87 0.00 0.00 0.88 0.00 0.00 12 I 8.98 4.81 2.02 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.68 0.81 0.00 0.00 13 V 8.61 4.50 2.05 0.00 0.00 0.00 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 0.90 0.00 0.00 14 L 8.58 5.36 0.00 1.72 0.92 0.92 0.80 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 15 N 8.70 4.58 0.00 2.81 2.75 0.00 0.00 6.78 7.98 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 16 G 8.59 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 0.00 0.00 0.00 17 T 7.34 4.72 4.27 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 1.22 0.00 0.00 18 T 8.28 5.05 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 1.20 0.00 0.00 19 F 9.33 5.04 0.00 3.14 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 T 7.58 5.50 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 21 Y 8.15 4.94 0.00 3.14 2.88 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 22 T 8.52 5.06 4.25 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 1.18 0.00 0.00 23 T 9.54 4.66 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 1.00 0.00 0.00 24 E 8.72 4.97 0.00 1.92 1.90 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 2.33 2.33 0.00 25 A 8.86 4.70 0.97 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 26 V 8.46 3.61 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 0.74 0.00 0.00 0.94 0.00 0.00 27 D 7.59 4.80 0.00 2.92 2.81 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 28 A 8.50 3.43 1.22 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 0.00 0.00 0.00 29 A 7.84 3.82 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 T 8.65 3.62 4.16 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 0.00 0.00 1.09 0.00 0.00 31 A 7.44 3.42 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.09 3.21 0.00 1.96 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.05 0.00 33 K 7.43 3.82 0.00 1.77 1.73 0.00 1.62 0.00 0.00 1.49 0.00 0.00 2.82 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.33 1.60 7.81 34 V 7.35 3.52 1.81 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 1.03 0.00 0.00 0.84 0.00 0.00 35 F 7.92 5.01 0.00 3.14 3.37 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 36 K 8.23 4.12 0.00 1.77 1.70 0.00 1.27 0.00 0.00 1.13 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.80 0.21 7.81 37 Q 8.16 3.99 0.00 2.21 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.80 0.00 0.00 0.00 0.00 0.00 2.39 2.68 0.00 38 Y 8.18 4.33 0.00 3.13 3.41 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.51 3.92 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.10 4.23 0.00 3.05 3.01 0.00 0.00 7.34 8.15 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 41 D 7.99 4.63 0.00 2.91 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 42 N 8.37 4.73 0.00 2.37 2.44 0.00 0.00 7.21 7.58 0.00 0.00 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 G 8.10 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.46 4.13 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.73 0.00 0.00 45 D 8.38 5.03 0.00 2.67 2.52 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 0.00 46 G 7.96 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 47 E 7.97 4.94 0.00 2.14 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.40 0.00 48 W 9.11 5.48 0.00 3.22 3.36 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 49 T 9.02 4.96 4.31 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 1.29 0.00 0.00 50 Y 8.87 5.08 0.00 3.04 2.88 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 51 A 7.39 4.38 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 52 D 8.35 4.02 0.00 2.85 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 53 A 8.01 3.93 1.23 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 54 T 7.64 4.33 4.16 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 0.00 0.00 1.14 0.00 0.00 55 K 7.43 4.06 0.00 1.81 1.54 0.00 1.26 0.00 0.00 1.05 0.00 0.00 2.77 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.36 1.36 7.81 56 T 7.21 5.23 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 1.20 0.00 0.00 57 F 9.50 5.32 0.00 3.21 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 T 9.18 5.15 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 1.17 0.00 0.00 59 V 8.73 4.86 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 -0.74 0.00 0.00 60 T 9.65 4.95 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 1.20 0.00 0.00 61 E 7.79 4.78 0.00 2.26 1.93 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 2.11 2.02 0.00 * Residues marked with a * may have inaccurate shift predictions.