NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 15 S 4.3132 8.3231 115.2923 59.3361 63.8620 174.1956 16 G 3.6174 8.8319 115.3865 44.1768 0.0000 171.4989 17 N 4.7950 9.1550 115.4424 52.2742 38.5533 173.2691 18 T 4.7690 7.5663 115.4344 61.7167 72.5462 174.6895 19 G 4.2477 8.4287 113.8357 45.3557 0.0000 172.3918 20 S 4.6157 8.1673 115.4466 57.1846 64.0469 174.6185 21 I 4.0917 8.2423 117.0475 62.0740 38.3676 176.1632 22 I 4.2209 7.4591 113.8078 59.1734 38.8037 175.0950 23 N 4.2334 8.7241 119.5771 53.7206 38.9241 174.4658 24 N 4.5175 8.5851 120.4640 53.6872 39.6700 174.5399 25 Y 4.0049 8.7137 125.6257 59.8100 39.2605 175.3070 26 Y 4.5746 7.6195 116.0361 56.1129 40.1447 175.9047 27 M 4.3054 8.3775 122.2406 55.3126 34.1649 177.5346 28 Q 3.9950 8.7410 122.2728 59.5953 29.0239 178.6226 29 Q 3.9923 8.2539 119.0789 58.7748 29.0185 176.9812 30 Y 4.1865 7.7794 115.8310 59.7030 39.1206 177.1560 31 Q 4.2158 8.3946 119.8290 57.8306 29.3877 175.4730 32 N 5.1169 7.6513 114.7161 50.9305 42.8860 174.0305 33 S 4.3443 8.4027 113.8497 58.5172 63.9128 173.2726 34 M 4.5360 8.1904 121.0313 53.7645 33.4145 176.0041 35 D 4.6639 8.5078 123.5115 53.9692 42.0231 175.5581 36 T 4.7498 8.1513 110.9239 59.8904 71.8380 173.0492 37 Q 4.6598 8.3388 119.7714 54.0017 32.1035 174.8965 38 L 4.5531 8.3045 121.8830 53.9367 43.8277 173.8992 39 G 3.8959 7.8839 109.7586 46.7887 0.0000 173.2655 *65 N 4.4837 7.7880 118.2628 52.6324 40.9123 175.7749 66 D 4.7754 7.8818 117.8013 51.9246 40.9355 174.6646 67 W 4.1501 8.6139 135.0000 60.4778 30.8654 177.3590 68 F 3.7931 8.3545 116.8063 60.0117 38.4208 177.6350 69 S 4.0895 8.3432 113.2711 61.2310 62.1945 176.3101 70 K 3.8445 7.7748 121.0426 59.1570 31.5117 179.0548 71 L 3.4959 7.2697 119.4546 57.9917 42.3443 178.6171 72 A 4.1183 8.0806 120.7877 55.3504 18.1081 179.8482 73 S 4.1394 7.9344 112.8388 61.2757 62.9550 176.2483 74 S 4.2961 7.7745 114.5214 58.0979 63.5194 174.4407 75 A 4.0512 7.1882 126.0111 52.4390 18.6748 177.0247 76 F 4.5744 8.7586 124.2984 58.4195 39.9541 175.1709 77 S 4.4950 8.2670 121.6779 57.9697 65.0338 174.8550 78 G 3.9141 5.7012 116.2109 44.9881 0.0000 174.6994 79 L 4.6979 8.2006 125.8522 53.2462 44.8859 176.0616 80 F 4.4804 9.3860 127.9952 59.9482 40.5711 175.6198 81 G 4.3273 8.0050 110.2857 45.2392 0.0000 172.0412 82 A 4.4278 8.6089 126.4870 51.1324 19.9287 176.2534 83 L 4.7106 8.3097 122.4340 52.9020 44.2139 175.4129 84 L 4.5393 8.2312 126.5520 53.9446 44.4713 175.7972 85 A 4.0393 8.7083 127.2763 52.7679 18.4661 177.0913 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 15 S 8.32 4.31 0.00 3.86 3.86 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 16 G 8.83 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 9.15 4.79 0.00 2.68 2.75 0.00 0.00 6.59 7.70 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 18 T 7.57 4.77 4.26 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 1.23 0.00 0.00 19 G 8.43 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 0.00 0.00 0.00 0.00 20 S 8.17 4.62 0.00 3.89 3.81 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 21 I 8.24 4.09 1.88 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 1.48 0.57 0.92 0.00 0.00 22 I 7.46 4.22 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.53 0.92 0.00 0.00 23 N 8.72 4.23 0.00 2.74 2.83 0.00 0.00 6.92 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 N 8.59 4.52 0.00 2.75 2.79 0.00 0.00 7.02 7.54 0.00 0.00 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 Y 8.71 4.00 0.00 2.81 2.70 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 26 Y 7.62 4.57 0.00 3.11 2.93 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 27 M 8.38 4.31 0.00 2.17 2.22 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.61 0.00 28 Q 8.74 4.00 0.00 2.15 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.87 0.00 0.00 0.00 0.00 0.00 2.46 2.46 0.00 29 Q 8.25 3.99 0.00 2.17 2.10 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 2.28 2.46 0.00 30 Y 7.78 4.19 0.00 3.19 3.03 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 0.00 0.00 0.00 31 Q 8.39 4.22 0.00 2.24 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.71 0.00 0.00 0.00 0.00 0.00 2.44 2.49 0.00 32 N 7.65 5.12 0.00 2.70 2.66 0.00 0.00 7.08 7.50 0.00 0.00 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 S 8.40 4.34 0.00 3.96 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 M 8.19 4.54 0.00 2.00 2.00 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 2.49 2.44 0.00 35 D 8.51 4.66 0.00 2.67 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 T 8.15 4.75 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 37 Q 8.34 4.66 0.00 2.01 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.84 0.00 0.00 0.00 0.00 0.00 2.24 2.24 0.00 38 L 8.30 4.55 0.00 1.56 1.52 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 39 G 7.88 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 0.00 0.00 0.00 *65 N 7.79 4.48 0.00 2.76 2.91 0.00 0.00 6.80 8.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 D 7.88 4.78 0.00 2.80 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 W 8.61 4.15 0.00 3.37 2.99 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 68 F 8.35 3.79 0.00 3.22 3.17 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 69 S 8.34 4.09 0.00 4.15 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 70 K 7.77 3.84 0.00 1.58 1.55 0.00 1.62 0.00 0.00 1.51 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.37 1.54 7.81 71 L 7.27 3.50 0.00 0.83 1.50 0.61 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 72 A 8.08 4.12 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 S 7.93 4.14 0.00 3.94 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 74 S 7.77 4.30 0.00 3.97 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 75 A 7.19 4.05 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 76 F 8.76 4.57 0.00 2.90 3.02 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 77 S 8.27 4.50 0.00 3.72 3.66 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 0.00 0.00 0.00 0.00 78 G 5.70 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 0.00 0.00 0.00 79 L 8.20 4.70 0.00 1.53 1.55 0.96 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 80 F 9.39 4.48 0.00 3.28 3.03 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 0.00 0.00 0.00 81 G 8.01 4.33 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 0.00 82 A 8.61 4.43 1.27 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 83 L 8.31 4.71 0.00 1.59 1.55 0.93 0.88 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 84 L 8.23 4.54 0.00 1.59 1.50 0.93 1.07 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 85 A 8.71 4.04 1.34 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 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.