NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 L 4.3196 8.1849 120.6321 54.7478 44.1022 177.0258 5 T 4.2256 7.5290 114.2155 62.2774 70.4215 172.4026 6 K 4.7612 8.5928 123.6398 54.8720 34.5783 175.5030 7 V 4.1572 7.6482 125.1914 60.5059 33.4364 175.3141 8 K 4.1412 8.6647 126.7774 57.4519 32.2235 175.8717 9 L 4.7083 8.8636 122.7503 55.6218 44.9015 175.8955 10 C 4.7603 7.3394 110.6825 58.4564 31.6938 171.8617 11 Q 4.7848 7.6438 118.4030 54.4541 29.7243 176.8737 12 L 3.6231 8.6822 124.9593 58.3411 42.0588 178.5062 13 D 4.7054 7.8205 113.5803 54.0898 39.3142 176.3823 14 D 4.5416 8.0133 119.9013 55.6374 41.6507 176.3462 15 L 4.7604 7.3554 120.6538 52.5210 43.4705 173.2567 *17 P 3.8092 0.0000 0.0000 64.7355 31.9994 177.0926 18 F 4.2667 8.9649 120.7098 57.6063 37.1153 174.6278 19 I 4.6092 7.3656 121.6301 59.0020 38.8162 175.5896 20 G 3.4746 9.1369 112.4139 45.0938 0.0000 171.8120 21 A 4.8386 7.8233 122.1087 50.0777 22.8382 174.9697 22 T 4.8491 8.3699 111.4150 60.5724 70.9823 174.1746 23 V 4.4623 8.5464 116.3746 59.9622 37.1456 173.3470 24 L 4.8521 8.2518 123.1767 53.4278 44.0963 175.5962 25 I 3.8735 7.9263 127.4699 59.9424 37.8725 175.6640 26 E 3.9697 9.6017 127.8214 57.4242 26.8964 175.5296 27 G 3.8718 8.2357 100.4000 46.4034 0.0000 173.3002 28 E 4.6001 7.6788 118.1066 53.6250 32.7399 175.2845 29 R 4.0263 8.5496 123.6839 56.4552 31.1016 175.1396 30 V 4.6956 8.5038 126.2410 60.8088 35.3073 173.8396 31 A 4.9933 9.0290 128.0972 50.1403 21.5051 175.1588 32 L 4.9481 9.1473 124.4013 53.6067 43.9018 175.8330 33 F 4.9993 9.6687 122.2898 55.8363 42.3400 173.4026 34 Y 5.0168 8.7650 125.2790 56.1858 40.7303 174.2253 35 I 3.7302 7.9881 128.8069 60.1040 38.4965 176.2946 36 P 3.5245 0.0000 0.0000 64.6972 31.6397 177.7046 37 D 4.9329 7.7333 115.5336 53.1165 39.7645 176.9133 38 S 4.5726 8.8294 113.0225 57.4744 65.6392 172.4372 39 G 3.8778 8.0270 104.7901 43.8637 0.0000 172.0468 40 V 4.7720 7.9133 119.4271 60.1547 34.1271 174.9267 41 Y 5.2162 9.3775 122.4517 56.1463 41.2025 174.4226 42 A 5.3418 8.9134 123.7096 50.4805 21.8309 175.6105 43 V 5.0295 8.7207 115.7215 59.1879 35.8191 175.6160 44 Q 4.7189 8.9312 122.1544 57.2895 28.7837 176.3166 45 D 4.6399 9.4595 121.0368 56.3094 42.7502 176.0590 46 W 4.6518 8.4810 129.1286 57.2952 31.5901 175.1704 47 D 4.3162 8.2877 128.4666 52.5816 40.5416 174.8150 48 P 4.4215 0.0000 0.0000 65.3151 31.3497 177.0841 49 I 4.1961 7.9487 117.2085 62.4114 38.9467 176.7495 50 G 3.6626 8.9148 108.9613 46.6258 0.0000 173.4339 51 K 2.9125 9.1343 117.2602 55.9791 29.2077 175.7961 52 A 3.7405 5.8000 118.1310 50.6753 22.0649 176.1409 53 Y 4.8034 8.2789 118.6953 58.3174 37.9617 177.4225 54 V 4.4682 8.1873 126.1075 60.6712 32.5904 175.0213 *56 S 4.2427 7.8407 118.4266 58.6294 65.1659 176.1165 57 R 4.5495 8.1770 118.9042 55.9637 30.2693 176.5046 58 G 4.5653 7.7770 105.3643 45.3108 0.0000 173.7109 59 I 4.3116 8.2543 122.5821 60.8708 38.4918 175.6382 60 V 4.5962 8.4734 119.9438 60.7102 33.0378 175.7558 61 G 4.1437 9.2293 110.9630 44.7202 0.0000 172.2395 62 D 4.3048 8.6833 123.7737 54.9347 41.0054 175.0992 63 I 3.8322 8.9457 129.9910 61.2987 37.8714 176.7416 64 N 4.7755 8.0213 123.3926 52.7768 38.6507 174.9942 65 G 3.9907 8.1729 99.0163 46.1630 0.0000 172.5058 66 E 4.1242 7.8135 125.4022 55.1686 32.7660 173.9814 *68 C 4.8161 8.5607 113.7629 59.2987 30.1138 172.6124 69 V 4.7489 8.8974 121.1747 59.9077 33.9269 174.2105 70 A 5.2611 8.5378 125.1422 50.0017 21.8114 175.9478 71 S 4.5908 9.1134 118.3372 57.6722 63.1633 173.2854 72 P 4.4603 0.0000 0.0000 64.0964 31.0988 176.8103 73 L 3.7731 7.0023 120.2315 55.1896 41.6761 176.2984 74 Y 4.6861 7.6625 113.5957 57.7244 38.7511 177.3147 75 K 3.9844 8.0921 116.9353 56.8321 30.6806 176.0935 76 Q 4.2099 7.5692 118.3705 56.5326 30.0689 174.8895 77 H 5.3597 8.9820 119.0879 54.4447 31.1401 174.0937 78 F 5.2243 9.7603 122.1658 55.5526 42.6816 174.3475 79 S 4.6388 9.1709 118.1058 57.6844 63.4122 173.6420 80 L 4.3185 8.4645 127.0881 55.5299 42.2312 176.4945 81 K 3.7009 8.7252 121.0218 55.0637 29.7568 174.1459 82 S 5.5924 9.2265 124.4137 59.0130 60.6865 177.1234 83 G 4.2626 8.1900 109.3889 46.4446 0.0000 173.3479 84 Q 4.1564 7.5763 120.7305 56.7521 29.3582 175.1142 85 C 4.1767 8.4717 125.2653 58.0110 31.8959 174.0764 86 L 3.9038 8.5242 129.0180 57.4292 41.3138 177.9188 87 E 4.3645 7.5526 114.0063 55.3185 29.9886 175.1950 88 D 4.2403 7.2907 114.3861 54.2009 43.7029 176.4369 89 E 4.0630 8.9026 125.5716 58.2324 29.9162 177.7323 90 A 4.2225 8.1384 121.6569 53.5760 19.2529 176.6184 91 H 5.2742 7.9384 113.6466 54.0894 31.5726 173.0527 92 C 5.2714 8.6374 121.5658 58.1775 34.5128 172.9563 93 L 4.6994 8.8140 125.4074 53.7010 43.1302 176.3810 94 K 4.1839 10.1850 125.7059 56.7410 33.4675 175.6106 95 T 5.4211 7.9227 114.4429 58.7977 72.2821 172.8247 96 W 5.1111 8.6297 120.1004 54.8963 33.2459 175.4669 97 R 4.2933 8.9478 123.6729 56.3009 30.5019 175.7573 98 V 5.2150 8.6533 123.6047 61.3566 34.9804 174.4855 99 T 4.8287 8.9881 114.1620 59.9782 72.5077 172.6629 100 V 4.9379 8.3753 122.7820 61.1732 34.5858 174.8235 101 D 4.3325 8.7714 127.1413 52.8257 41.3191 174.7102 102 D 4.4373 9.4525 126.3230 55.6453 38.0447 174.1389 103 N 4.0974 7.7527 112.6126 53.5432 37.4203 173.5876 104 Q 4.7397 7.6899 120.6441 54.3576 31.1485 174.2142 105 V 4.6514 8.8365 127.4752 61.8859 33.2252 174.4512 106 C 5.8474 9.3106 124.4575 56.9594 32.9129 172.3820 107 Y 5.2891 8.1361 118.3662 55.2970 40.8878 174.4289 108 L 4.8926 8.7220 122.1989 53.9675 42.6534 176.7125 109 A 4.5785 8.3991 125.5049 52.0399 18.7238 176.5943 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 4 L 8.18 4.32 0.00 1.66 1.80 0.93 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 5 T 7.53 4.23 4.20 0.00 0.00 0.00 0.00 0.00 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 6 K 8.59 4.76 0.00 1.55 1.64 0.00 1.70 0.00 0.00 1.60 0.00 0.00 2.86 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.33 1.37 7.81 7 V 7.65 4.16 0.80 0.00 0.00 0.00 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 0.45 0.00 0.00 8 K 8.66 4.14 0.00 1.64 1.72 0.00 1.71 0.00 0.00 1.60 0.00 0.00 2.87 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.41 7.81 9 L 8.86 4.71 0.00 1.72 1.68 1.11 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 10 C 7.34 4.76 0.00 3.24 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.64 4.78 0.00 2.12 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.45 6.79 0.00 0.00 0.00 0.00 0.00 2.28 2.38 0.00 12 L 8.68 3.62 0.00 1.44 1.48 0.72 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 13 D 7.82 4.71 0.00 2.79 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 14 D 8.01 4.54 0.00 2.91 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.36 4.76 0.00 1.59 1.57 0.80 1.18 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 *17 P 0.00 3.81 0.00 1.73 1.65 0.00 3.84 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 18 F 8.96 4.27 0.00 3.31 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 19 I 7.37 4.61 1.94 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 1.36 0.95 0.95 0.00 0.00 20 G 9.14 3.47 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 21 A 7.82 4.84 1.07 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 0.00 0.00 0.00 0.00 0.00 0.00 22 T 8.37 4.85 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 1.18 0.00 0.00 23 V 8.55 4.46 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 0.56 0.00 0.00 0.72 0.00 0.00 24 L 8.25 4.85 0.00 1.47 1.41 0.77 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 25 I 7.93 3.87 0.99 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.66 0.20 0.00 0.00 26 E 9.60 3.97 0.00 2.09 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 0.00 2.30 2.32 0.00 27 G 8.24 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 28 E 7.68 4.60 0.00 2.14 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 2.28 0.00 29 R 8.55 4.03 0.00 1.76 1.95 0.00 2.21 0.00 0.00 2.46 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.36 0.00 30 V 8.50 4.70 1.66 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 0.64 0.00 0.00 -0.66 0.00 0.00 31 A 9.03 4.99 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 32 L 9.15 4.95 0.00 1.39 1.53 0.85 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 33 F 9.67 5.00 0.00 3.11 3.07 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 0.00 0.00 0.00 0.00 34 Y 8.77 5.02 0.00 2.88 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 I 7.99 3.73 1.88 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.56 1.03 0.00 0.00 36 P 0.00 3.52 0.00 1.88 1.85 0.00 2.47 0.00 0.00 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.40 0.00 37 D 7.73 4.93 0.00 2.80 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 38 S 8.83 4.57 0.00 3.85 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 39 G 8.03 3.88 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 0.00 0.00 0.00 40 V 7.91 4.77 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.95 0.00 0.00 41 Y 9.38 5.22 0.00 3.11 2.96 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 42 A 8.91 5.34 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.72 5.03 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 0.89 0.00 0.00 1.29 0.00 0.00 44 Q 8.93 4.72 0.00 2.38 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.98 0.00 0.00 0.00 0.00 0.00 2.49 2.63 0.00 45 D 9.46 4.64 0.00 2.83 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 46 W 8.48 4.65 0.00 3.47 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 47 D 8.29 4.32 0.00 2.46 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 48 P 0.00 4.42 0.00 2.08 2.25 0.00 3.47 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 2.08 2.05 0.00 49 I 7.95 4.20 2.07 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.06 1.22 0.00 0.00 50 G 8.91 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 0.00 0.00 0.00 51 K 9.13 2.91 0.00 1.80 2.04 0.00 2.02 0.00 0.00 1.79 0.00 0.00 3.08 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.52 1.58 7.81 52 A 5.80 3.74 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.28 4.80 0.00 3.12 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 54 V 8.19 4.47 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 0.66 0.00 0.00 0.87 0.00 0.00 *56 S 7.84 4.24 0.00 3.87 4.29 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 57 R 8.18 4.55 0.00 1.91 2.01 0.00 3.33 0.00 0.00 3.23 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.71 0.00 58 G 7.78 4.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.25 4.31 1.89 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 1.38 0.71 0.92 0.00 0.00 60 V 8.47 4.60 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 0.46 0.00 0.00 1.15 0.00 0.00 61 G 9.23 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 D 8.68 4.30 0.00 2.65 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 63 I 8.95 3.83 1.82 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.84 0.85 0.00 0.00 64 N 8.02 4.78 0.00 2.65 2.76 0.00 0.00 6.84 7.65 0.00 0.00 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 G 8.17 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 66 E 7.81 4.12 0.00 1.98 1.47 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 2.17 2.24 0.00 *68 C 8.56 4.82 0.00 3.06 2.98 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 69 V 8.90 4.75 1.50 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 0.73 0.00 0.00 0.78 0.00 0.00 70 A 8.54 5.26 1.14 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 0.00 0.00 0.00 0.00 0.00 0.00 71 S 9.11 4.59 0.00 3.94 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 72 P 0.00 4.46 0.00 2.17 2.14 0.00 3.77 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.97 0.00 73 L 7.00 3.77 0.00 1.41 0.77 0.59 0.50 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 74 Y 7.66 4.69 0.00 3.27 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 75 K 8.09 3.98 0.00 1.99 1.93 0.00 1.72 0.00 0.00 1.86 0.00 0.00 3.02 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.56 7.81 76 Q 7.57 4.21 0.00 2.34 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.65 6.80 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 77 H 8.98 5.36 0.00 3.21 3.17 0.00 5.55 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 F 9.76 5.22 0.00 2.88 2.94 0.00 0.00 0.00 0.00 0.00 0.00 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 S 9.17 4.64 0.00 3.83 3.73 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 80 L 8.46 4.32 0.00 1.40 1.52 0.97 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 81 K 8.73 3.70 0.00 0.96 1.41 0.00 1.96 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.54 1.47 7.81 82 S 9.23 5.59 0.00 3.94 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 83 G 8.19 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 0.00 0.00 0.00 0.00 84 Q 7.58 4.16 0.00 2.10 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.89 0.00 0.00 0.00 0.00 0.00 2.34 2.32 0.00 85 C 8.47 4.18 0.00 1.87 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 86 L 8.52 3.90 0.00 1.57 1.65 0.86 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 87 E 7.55 4.36 0.00 2.01 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 2.09 2.18 0.00 88 D 7.29 4.24 0.00 2.53 2.44 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.90 4.06 0.00 2.07 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 0.00 2.25 2.34 0.00 90 A 8.14 4.22 1.33 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 91 H 7.94 5.27 0.00 3.08 3.34 0.00 5.64 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 C 8.64 5.27 0.00 3.00 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 93 L 8.81 4.70 0.00 1.77 1.64 0.82 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 94 K 10.18 4.18 0.00 1.76 1.72 0.00 1.39 0.00 0.00 1.50 0.00 0.00 2.13 0.00 0.00 2.51 0.00 0.00 0.00 0.00 0.44 1.00 7.81 95 T 7.92 5.42 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 1.28 0.00 0.00 96 W 8.63 5.11 0.00 3.27 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 R 8.95 4.29 0.00 1.85 1.98 0.00 3.29 0.00 0.00 3.34 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.63 0.00 98 V 8.65 5.22 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 0.93 0.00 0.00 1.16 0.00 0.00 99 T 8.99 4.83 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 1.24 0.00 0.00 100 V 8.38 4.94 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 0.76 0.00 0.00 0.88 0.00 0.00 101 D 8.77 4.33 0.00 2.82 2.72 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 0.00 102 D 9.45 4.44 0.00 2.79 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 0.00 103 N 7.75 4.10 0.00 2.90 2.86 0.00 0.00 6.49 7.74 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 0.00 104 Q 7.69 4.74 0.00 2.13 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.83 0.00 0.00 0.00 0.00 0.00 2.22 2.28 0.00 105 V 8.84 4.65 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 0.87 0.00 0.00 0.81 0.00 0.00 106 C 9.31 5.85 0.00 2.83 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 0.00 107 Y 8.14 5.29 0.00 3.15 3.05 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 0.00 108 L 8.72 4.89 0.00 1.67 1.71 0.97 0.83 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 0.00 109 A 8.40 4.58 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 * Residues marked with a * may have inaccurate shift predictions.