NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 S 4.1800 8.3344 115.2891 57.8558 62.8969 173.5097 *2 L 4.0082 8.4006 121.0147 54.7302 42.4770 176.0715 3 I 4.4511 8.3048 126.8577 59.3489 38.9952 174.7294 4 L 4.6715 8.1555 123.9874 55.0046 43.4627 174.5935 5 T 4.6589 8.2035 114.4280 61.8272 70.7839 174.4554 6 R 4.6590 8.1937 122.8387 54.6755 33.6384 175.5822 7 R 4.3171 9.0469 122.5013 54.6836 31.2943 176.1748 8 V 3.8233 8.0582 119.3867 64.8513 31.7048 176.3181 9 G 4.0021 9.5049 116.2354 44.9925 0.0000 173.2027 10 E 4.5748 8.2379 119.6170 55.7374 31.3989 175.5320 11 T 5.0182 8.3710 117.8155 62.0470 72.2037 173.5239 12 L 4.8755 8.3864 126.6781 53.6051 45.6153 174.5661 *14 I 4.0412 8.2882 117.7228 62.2932 38.2332 176.1451 15 G 4.2692 8.5235 115.9528 45.5060 0.0000 172.0808 16 D 4.6243 8.6369 117.2551 55.4029 41.4967 176.8505 17 E 4.5918 8.0336 115.1210 55.4424 31.7605 175.6046 18 V 4.5981 7.3281 118.7528 61.7951 32.8023 175.3044 19 T 4.9271 8.8585 116.9333 59.8647 72.4222 172.8511 20 V 4.7334 8.9864 123.8458 61.6193 34.5237 174.1216 21 T 4.9945 9.2056 125.2331 61.6470 71.8969 173.7410 22 V 4.2217 8.3398 126.1576 62.5104 31.7463 176.3032 23 L 4.3137 8.9241 129.4921 55.9214 42.6326 177.1811 24 G 4.0766 7.1996 105.2268 46.0369 0.0000 172.1270 25 V 4.9542 8.3226 119.1990 60.9993 34.9527 175.5824 26 K 4.4165 9.2107 128.0910 55.1983 34.0566 177.8323 27 G 3.9193 8.2755 119.3106 46.5793 0.0000 171.9362 28 N 4.7687 9.1172 120.3023 52.1525 37.7698 173.9928 29 Q 4.5365 7.9278 119.1925 54.5145 30.3948 174.3899 30 V 4.7813 8.1878 122.0274 61.0238 33.9675 174.4675 31 R 4.3942 9.0947 129.3853 55.6110 31.1930 174.9275 32 I 4.9743 8.4861 126.7568 59.3836 40.5573 174.9988 33 G 4.0831 9.3004 113.8258 44.4827 0.0000 172.0879 34 V 4.8360 8.4524 125.8890 61.0154 33.7291 173.9720 35 N 5.0751 9.1575 126.9687 51.8327 40.9211 173.1372 36 A 5.0915 8.3955 126.4803 49.4429 22.7823 173.8464 37 P 4.3800 0.0000 0.0000 62.3322 32.1897 177.4918 38 K 3.8375 8.8753 120.0164 59.8861 31.9918 178.3166 39 E 3.9997 8.1336 114.5049 58.0274 29.8240 176.5856 40 V 4.1143 7.7460 120.8808 61.1354 32.0027 175.3983 41 S 4.4543 8.4656 122.3082 57.6378 64.1090 173.6443 42 V 4.3687 7.8959 121.2756 61.4536 33.8660 174.4187 43 H 5.0343 8.4130 122.4896 53.1133 32.9684 174.0533 44 R 4.1703 8.4379 120.8565 55.8802 31.9199 177.6128 45 E 3.9991 8.7870 122.0828 59.6124 29.7024 179.0877 46 E 3.9759 8.2541 117.0609 59.5427 29.5042 179.1698 47 I 3.8030 7.7025 120.1323 64.1517 37.4368 177.2659 48 Y 4.0142 8.2902 120.5868 60.8769 38.5626 178.3423 49 Q 3.9882 8.4813 118.9650 59.2032 28.9100 179.1286 50 R 3.9343 7.5620 118.2565 59.2013 30.1403 179.2418 51 I 3.6139 7.6065 119.6960 64.3824 37.1978 178.5098 52 Q 3.8045 7.8100 118.6750 58.8140 28.2774 178.6441 53 A 4.0709 7.7643 120.8118 54.9088 18.4906 178.9062 54 E 4.1785 7.8678 115.1205 57.9152 29.9276 178.4275 55 K 4.1726 7.5915 117.1467 57.5738 33.0602 177.0505 56 S 4.6402 7.3135 115.8944 57.2667 62.5833 173.3390 57 Q 4.4063 7.7397 121.7423 57.0782 34.0846 173.0963 *58 P 4.2054 0.0000 0.0000 62.0743 31.5007 179.1898 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 S 8.33 4.18 0.00 3.84 3.70 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.40 4.01 0.00 1.66 1.61 0.91 0.90 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 3 I 8.30 4.45 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 1.46 0.76 0.91 0.00 0.00 4 L 8.16 4.67 0.00 1.66 1.61 0.91 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 5 T 8.20 4.66 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 6 R 8.19 4.66 0.00 1.72 1.78 0.00 3.36 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.56 0.00 7 R 9.05 4.32 0.00 1.86 1.84 0.00 3.13 0.00 0.00 3.09 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.56 0.00 8 V 8.06 3.82 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 0.80 0.00 0.00 0.93 0.00 0.00 9 G 9.50 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.24 4.57 0.00 2.06 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 2.37 0.00 11 T 8.37 5.02 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 12 L 8.39 4.88 0.00 1.66 1.51 0.91 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 *14 I 8.29 4.04 1.86 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 1.33 0.84 0.90 0.00 0.00 15 G 8.52 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 0.00 0.00 0.00 0.00 16 D 8.64 4.62 0.00 2.65 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.03 4.59 0.00 1.90 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 2.19 2.24 0.00 18 V 7.33 4.60 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.92 0.00 0.00 19 T 8.86 4.93 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 1.21 0.00 0.00 20 V 8.99 4.73 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 1.05 0.00 0.00 0.91 0.00 0.00 21 T 9.21 4.99 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 1.25 0.00 0.00 22 V 8.34 4.22 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 0.94 0.00 0.00 0.93 0.00 0.00 23 L 8.92 4.31 0.00 1.64 1.70 0.92 0.84 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 24 G 7.20 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 25 V 8.32 4.95 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 0.86 0.00 0.00 0.93 0.00 0.00 26 K 9.21 4.42 0.00 1.70 1.61 0.00 1.77 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.32 1.37 7.81 27 G 8.28 3.92 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 0.00 0.00 0.00 28 N 9.12 4.77 0.00 2.83 2.91 0.00 0.00 5.82 7.39 0.00 0.00 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 Q 7.93 4.54 0.00 2.31 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.79 0.00 0.00 0.00 0.00 0.00 2.30 2.27 0.00 30 V 8.19 4.78 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 0.82 0.00 0.00 0.93 0.00 0.00 31 R 9.09 4.39 0.00 1.89 1.86 0.00 3.08 0.00 0.00 3.16 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 32 I 8.49 4.97 1.87 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 1.27 0.94 0.96 0.00 0.00 33 G 9.30 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 34 V 8.45 4.84 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 0.83 0.00 0.00 0.92 0.00 0.00 35 N 9.16 5.08 0.00 2.84 2.63 0.00 0.00 6.40 8.22 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 36 A 8.40 5.09 1.17 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 0.00 0.00 37 P 0.00 4.38 0.00 2.43 2.35 0.00 3.73 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.99 0.00 38 K 8.88 3.84 0.00 1.76 1.95 0.00 1.75 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.46 1.47 7.81 39 E 8.13 4.00 0.00 2.08 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 2.28 2.24 0.00 40 V 7.75 4.11 2.19 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 0.81 0.00 0.00 0.93 0.00 0.00 41 S 8.47 4.45 0.00 4.06 3.90 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 42 V 7.90 4.37 2.02 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 0.83 0.00 0.00 0.90 0.00 0.00 43 H 8.41 5.03 0.00 3.30 3.21 0.00 5.76 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 R 8.44 4.17 0.00 1.90 2.07 0.00 3.35 0.00 0.00 3.28 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.71 0.00 45 E 8.79 4.00 0.00 2.03 1.98 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 2.43 2.43 0.00 46 E 8.25 3.98 0.00 2.22 2.22 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 2.39 2.37 0.00 47 I 7.70 3.80 2.08 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.20 0.87 0.00 0.00 48 Y 8.29 4.01 0.00 3.18 3.16 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 0.00 49 Q 8.48 3.99 0.00 2.15 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.57 0.00 0.00 0.00 0.00 0.00 2.46 2.69 0.00 50 R 7.56 3.93 0.00 2.10 1.94 0.00 3.12 0.00 0.00 3.15 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.85 0.00 51 I 7.61 3.61 1.73 0.00 0.00 0.59 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 1.17 0.73 0.00 0.00 52 Q 7.81 3.80 0.00 2.06 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 1.93 2.24 0.00 53 A 7.76 4.07 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 54 E 7.87 4.18 0.00 2.03 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 0.00 2.29 2.30 0.00 55 K 7.59 4.17 0.00 1.84 1.81 0.00 1.59 0.00 0.00 1.66 0.00 0.00 3.01 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.42 1.57 7.81 56 S 7.31 4.64 0.00 4.06 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 Q 7.74 4.41 0.00 2.08 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.65 0.00 0.00 0.00 0.00 0.00 2.37 2.26 0.00 *58 P 0.00 4.21 0.00 1.86 1.90 0.00 3.65 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 2.08 0.00 * Residues marked with a * may have inaccurate shift predictions.