NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.4395 8.3349 115.4128 57.7687 64.6886 173.2465 4 S 4.4406 8.0297 117.4832 57.6181 63.1850 172.0551 5 Q 4.6340 9.8913 122.6720 55.0416 33.0057 172.9047 6 I 4.9500 8.2632 120.6914 59.7719 39.1482 175.2246 7 T 4.7338 8.6383 116.5398 59.7401 72.5919 172.7435 8 F 4.9592 8.7788 120.4038 55.8600 41.6509 174.5067 9 N 4.9830 9.0031 122.5548 52.2269 39.8924 174.4507 10 T 5.2642 8.5748 113.8293 60.0416 71.9360 173.2281 11 T 4.8284 8.6863 113.5056 60.0103 72.8068 172.3393 12 Q 4.3176 8.4466 122.5162 54.4621 32.0708 174.5769 13 Q 4.2902 8.3554 124.9929 54.2602 30.9861 176.5274 14 G 3.8386 9.0407 115.5836 45.8235 0.0000 173.2247 15 D 4.9148 8.4707 118.4637 52.1468 41.9367 174.6782 *17 Y 4.7664 7.6837 117.6224 57.9193 40.5655 174.2536 18 T 4.9162 8.7023 120.0487 62.0233 71.3029 173.1271 19 I 4.4747 8.8399 128.6071 59.4347 39.8738 175.0334 20 I 4.9622 8.5816 128.9237 57.7904 39.2493 173.2289 21 P 4.4578 0.0000 0.0000 62.4237 32.3837 175.4968 22 E 5.1960 9.3990 124.5725 54.3879 33.0923 175.3962 23 V 4.7693 8.4429 121.8392 60.2875 34.8014 174.3268 24 T 5.0251 8.7007 121.6416 61.5563 71.5295 173.0792 25 L 5.1544 8.3443 125.3301 53.0410 44.8787 177.9026 26 T 4.1601 9.0232 113.3149 63.6701 69.2706 175.0681 27 Q 4.6595 7.6707 119.2129 53.4921 32.1412 175.2109 28 S 4.6902 8.2719 115.0832 57.2416 64.1131 173.3355 *30 L 3.9220 8.0554 122.5445 54.8491 42.8898 176.0155 *32 R 4.1684 8.2150 124.2836 56.3489 31.7093 173.8029 33 V 4.6921 8.8676 127.5025 61.4094 33.6428 174.1521 34 Q 5.1587 9.3669 127.5529 54.1862 31.7545 174.8276 35 I 4.9119 9.1648 124.1870 59.5718 40.9972 174.0887 36 L 5.2226 9.3031 131.0125 53.3301 44.0001 175.0530 37 S 5.3523 9.1205 121.8798 56.4908 66.0403 172.9367 38 L 5.2085 9.1228 124.5863 53.4363 45.7177 174.7420 39 R 4.9850 9.5186 126.0379 54.7051 33.5975 173.6787 40 E 4.6570 9.5171 126.1977 54.8051 31.6319 175.8680 41 G 4.4687 8.7015 115.5848 44.7328 0.0000 171.5087 42 S 4.3198 8.6700 114.4472 60.6714 63.0714 175.4342 43 S 4.7173 7.5746 111.4460 56.9766 63.4290 173.5580 44 G 4.0547 7.1725 106.6151 45.5599 0.0000 172.6930 45 Q 5.2775 8.5976 119.8482 53.9965 32.8018 175.0845 46 S 4.7099 9.1403 116.1123 57.1445 66.8005 172.7394 47 Q 4.9914 8.6663 123.6749 54.7538 32.1093 173.8033 48 T 4.6445 9.2546 122.9438 61.6887 71.8485 172.8879 49 K 5.0535 8.8202 126.2103 54.6156 34.2212 175.6811 50 Q 4.7455 9.1017 123.5182 54.2120 31.7076 174.1250 51 E 5.2837 8.7828 120.0003 54.6529 33.1849 175.1319 52 K 4.4429 8.9085 122.0196 55.8425 36.2446 174.6204 53 T 4.8984 8.6625 125.0606 62.0916 69.0798 173.5759 54 L 4.8720 8.1052 125.4145 53.8757 44.3490 175.9517 55 S 4.4335 8.5938 115.7853 57.8459 63.6128 173.8949 56 L 4.7271 8.2883 124.9448 52.1175 43.9049 174.5601 57 P 4.4361 0.0000 0.0000 62.0261 32.3823 175.4557 58 A 4.4641 8.1805 121.5278 52.5403 19.8729 177.8121 59 N 4.5748 9.1930 116.2737 53.7135 36.8097 174.4321 60 Q 4.6278 7.4403 116.1197 53.4129 32.4412 173.3089 61 P 4.5896 0.0000 0.0000 62.4876 32.3201 175.5702 62 I 4.4195 8.6379 126.2697 59.2478 39.3599 174.9048 63 A 4.3630 8.5621 129.6056 52.1887 18.1988 176.9370 64 L 4.2010 8.7682 123.7769 57.8276 42.4648 177.1282 65 T 4.5863 7.5776 110.8501 60.8309 71.4696 171.8533 66 K 4.6233 8.5619 125.1372 54.6064 34.4098 174.9220 67 L 4.6769 8.8688 128.6214 53.1569 44.1260 175.7961 68 S 5.2570 8.7054 120.7400 56.9794 64.1962 173.7446 69 L 4.7789 8.9230 125.2520 53.0019 44.7903 176.8666 70 N 4.9530 9.0046 121.2566 52.5178 38.4019 173.5737 71 I 4.5511 8.7241 124.8968 59.4499 38.8834 175.6473 72 S 4.8484 8.9043 121.1731 55.0364 65.7183 171.5828 73 P 4.3479 0.0000 0.0000 64.7212 31.2388 176.4718 74 D 4.5247 8.8421 120.2516 54.7418 38.4543 173.2832 75 D 4.7033 7.9563 120.9816 53.9264 42.2357 175.5795 76 R 4.3662 8.6822 124.9882 55.8898 30.8913 175.3675 77 V 5.0585 8.1598 119.4974 59.5233 35.0973 175.4541 78 K 4.6744 9.0180 125.2283 55.2869 36.2371 174.5448 79 I 4.9820 9.3207 128.3601 59.7445 40.4735 174.4783 80 V 4.8617 9.1967 128.6199 61.1114 33.7014 174.3929 81 V 4.9622 8.9377 128.2866 61.4552 34.1063 174.2048 82 T 5.0740 9.3804 124.6399 61.7107 71.7929 172.9990 83 V 4.8974 9.0497 126.9703 61.0032 34.1140 174.4222 84 S 5.5720 8.9779 122.1118 56.1901 65.5241 173.9867 85 D 4.6023 9.0458 121.4821 53.9412 40.0147 177.3993 86 G 4.0314 8.5182 107.8971 45.0727 0.0000 173.1920 87 Q 4.2794 8.4745 116.2462 55.4728 30.2274 175.8157 88 S 4.6126 8.8350 121.5401 58.4062 66.1144 173.6063 89 L 4.5014 7.9655 123.8651 54.0548 43.4038 174.7962 90 H 5.0094 8.7554 126.0128 54.9723 32.6180 172.0224 91 L 4.8422 9.1193 126.7112 52.9001 44.8316 175.8563 92 S 5.1181 8.6945 117.6186 56.9015 65.1534 172.8474 93 Q 4.8804 9.1287 125.6500 54.1302 32.8805 174.0916 94 Q 5.1913 8.9115 122.7338 54.0920 31.9251 174.0959 95 W 4.3606 8.5767 135.0000 54.5426 33.0598 173.6326 96 P 2.9700 0.0000 0.0000 60.9322 31.4514 174.6411 97 P 4.3426 0.0000 0.0000 63.1227 31.2914 176.2187 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 3 S 8.33 4.44 0.00 3.99 4.02 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 4 S 8.03 4.44 0.00 3.85 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 5 Q 9.89 4.63 0.00 2.07 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.77 0.00 0.00 0.00 0.00 0.00 2.22 2.32 0.00 6 I 8.26 4.95 1.79 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.59 0.58 0.00 0.00 7 T 8.64 4.73 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 1.21 0.00 0.00 8 F 8.78 4.96 0.00 3.06 2.84 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 9 N 9.00 4.98 0.00 2.76 2.74 0.00 0.00 6.06 6.64 0.00 0.00 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 T 8.57 5.26 4.34 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 0.77 0.00 0.00 11 T 8.69 4.83 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 12 Q 8.45 4.32 0.00 1.66 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 7.02 0.00 0.00 0.00 0.00 0.00 1.81 1.16 0.00 13 Q 8.36 4.29 0.00 1.96 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.92 0.00 0.00 0.00 0.00 0.00 2.19 2.24 0.00 14 G 9.04 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 0.00 0.00 0.00 15 D 8.47 4.91 0.00 2.61 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 *17 Y 7.68 4.77 0.00 3.08 2.90 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 18 T 8.70 4.92 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 1.18 0.00 0.00 19 I 8.84 4.47 1.55 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.13 0.39 0.00 0.00 20 I 8.58 4.96 1.83 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 1.21 1.85 0.99 0.00 0.00 21 P 0.00 4.46 0.00 1.97 1.69 0.00 3.71 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.36 0.00 22 E 9.40 5.20 0.00 1.70 1.73 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 2.32 2.30 0.00 23 V 8.44 4.77 2.00 0.00 0.00 0.00 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 0.92 0.00 0.00 24 T 8.70 5.03 4.22 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 1.16 0.00 0.00 25 L 8.34 5.15 0.00 1.54 1.60 0.90 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 26 T 9.02 4.16 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 1.23 0.00 0.00 27 Q 7.67 4.66 0.00 2.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 7.07 0.00 0.00 0.00 0.00 0.00 2.24 2.24 0.00 28 S 8.27 4.69 0.00 4.05 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 *30 L 8.06 3.92 0.00 1.65 1.65 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 *32 R 8.21 4.17 0.00 1.96 1.95 0.00 3.20 0.00 0.00 3.27 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 33 V 8.87 4.69 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 0.89 0.00 0.00 0.91 0.00 0.00 34 Q 9.37 5.16 0.00 1.98 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.52 0.00 0.00 0.00 0.00 0.00 2.28 2.30 0.00 35 I 9.16 4.91 1.89 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 1.14 0.92 0.97 0.00 0.00 36 L 9.30 5.22 0.00 1.72 1.56 0.94 0.73 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 37 S 9.12 5.35 0.00 3.91 3.96 0.00 0.00 0.00 0.00 0.00 0.00 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 L 9.12 5.21 0.00 1.72 1.49 1.04 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 39 R 9.52 4.99 0.00 1.85 1.72 0.00 3.11 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 40 E 9.52 4.66 0.00 1.87 1.83 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 2.20 2.22 0.00 41 G 8.70 4.47 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 S 8.67 4.32 0.00 3.88 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 43 S 7.57 4.72 0.00 3.93 3.89 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 44 G 7.17 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 Q 8.60 5.28 0.00 1.88 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.60 0.00 0.00 0.00 0.00 0.00 2.24 2.37 0.00 46 S 9.14 4.71 0.00 3.82 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 47 Q 8.67 4.99 0.00 2.03 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.71 6.73 0.00 0.00 0.00 0.00 0.00 2.24 2.53 0.00 48 T 9.25 4.64 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 1.22 0.00 0.00 49 K 8.82 5.05 0.00 1.62 1.74 0.00 1.70 0.00 0.00 1.77 0.00 0.00 2.92 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 1.41 7.81 50 Q 9.10 4.75 0.00 2.08 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.72 0.00 0.00 0.00 0.00 0.00 2.37 2.28 0.00 51 E 8.78 5.28 0.00 1.94 1.92 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 2.16 2.27 0.00 52 K 8.91 4.44 0.00 1.86 1.63 0.00 1.49 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.33 1.46 7.81 53 T 8.66 4.90 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 54 L 8.11 4.87 0.00 1.55 1.58 0.91 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 55 S 8.59 4.43 0.00 3.88 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 56 L 8.29 4.73 0.00 1.65 1.52 0.90 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 57 P 0.00 4.44 0.00 2.17 2.04 0.00 3.74 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 58 A 8.18 4.46 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 59 N 9.19 4.57 0.00 2.84 2.96 0.00 0.00 6.72 7.73 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 60 Q 7.44 4.63 0.00 1.87 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.78 6.86 0.00 0.00 0.00 0.00 0.00 2.43 2.44 0.00 61 P 0.00 4.59 0.00 1.91 1.97 0.00 3.63 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.09 0.00 62 I 8.64 4.42 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 1.14 0.49 0.89 0.00 0.00 63 A 8.56 4.36 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 64 L 8.77 4.20 0.00 1.49 1.70 0.84 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 65 T 7.58 4.59 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 1.22 0.00 0.00 66 K 8.56 4.62 0.00 1.74 1.65 0.00 1.76 0.00 0.00 1.69 0.00 0.00 2.69 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.27 1.40 7.81 67 L 8.87 4.68 0.00 1.65 1.52 0.94 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 68 S 8.71 5.26 0.00 3.74 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 69 L 8.92 4.78 0.00 1.52 1.59 0.96 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 70 N 9.00 4.95 0.00 2.65 2.85 0.00 0.00 6.96 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 I 8.72 4.55 1.77 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.77 0.81 0.00 0.00 72 S 8.90 4.85 0.00 4.01 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 73 P 0.00 4.35 0.00 2.06 2.07 0.00 3.80 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.16 0.00 74 D 8.84 4.52 0.00 2.82 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 75 D 7.96 4.70 0.00 2.82 2.58 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 0.00 0.00 0.00 0.00 76 R 8.68 4.37 0.00 1.93 1.80 0.00 3.02 0.00 0.00 3.12 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.62 0.00 77 V 8.16 5.06 2.15 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 0.76 0.00 0.00 0.77 0.00 0.00 78 K 9.02 4.67 0.00 1.76 1.59 0.00 1.72 0.00 0.00 1.62 0.00 0.00 2.86 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.34 1.39 7.81 79 I 9.32 4.98 1.89 0.00 0.00 0.76 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 0.65 1.08 0.00 0.00 80 V 9.20 4.86 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.97 0.00 0.00 81 V 8.94 4.96 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 1.12 0.00 0.00 82 T 9.38 5.07 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 1.13 0.00 0.00 83 V 9.05 4.90 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.89 0.00 0.00 84 S 8.98 5.57 0.00 3.90 3.74 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 85 D 9.05 4.60 0.00 2.80 2.83 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 86 G 8.52 4.03 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 0.00 0.00 0.00 87 Q 8.47 4.28 0.00 2.24 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.64 0.00 0.00 0.00 0.00 0.00 2.29 2.29 0.00 88 S 8.83 4.61 0.00 3.82 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 89 L 7.97 4.50 0.00 1.77 1.75 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 90 H 8.76 5.01 0.00 3.15 3.13 0.00 5.72 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 L 9.12 4.84 0.00 1.51 1.49 0.92 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 92 S 8.69 5.12 0.00 3.83 3.74 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 93 Q 9.13 4.88 0.00 2.14 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.53 0.00 0.00 0.00 0.00 0.00 2.31 2.70 0.00 94 Q 8.91 5.19 0.00 2.06 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.70 0.00 0.00 0.00 0.00 0.00 2.14 2.30 0.00 95 W 8.58 4.36 0.00 1.78 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 96 P 0.00 2.97 0.00 1.50 0.95 0.00 3.32 0.00 0.00 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.51 0.00 97 P 0.00 4.34 0.00 2.17 2.09 0.00 3.30 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.01 0.00 * Residues marked with a * may have inaccurate shift predictions.