NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.5244 8.4449 121.4919 55.5275 31.4100 175.0288 3 Q 4.5418 8.1867 117.0162 54.9908 30.4008 173.3468 4 Y 4.9258 9.3677 123.8687 57.0189 40.1724 174.3752 5 Y 6.3000 9.4357 126.2375 55.3308 42.8297 173.9857 6 G 4.3046 5.3800 113.4884 45.3203 0.0000 171.1912 7 T 4.2820 7.6959 119.9635 61.6607 69.9759 174.2489 8 G 4.2003 8.2913 114.0804 44.7436 0.0000 172.3496 9 R 5.3449 8.0738 117.9417 56.5378 33.0523 174.5183 10 R 4.2053 8.7145 125.6129 55.6163 32.4620 173.1910 11 K 3.5968 9.2308 126.3252 57.2771 29.6607 176.1233 12 E 3.9666 8.3475 120.8232 56.7216 29.0824 173.9333 13 A 5.1348 8.1732 121.3069 50.9718 19.4837 176.6180 14 V 4.6002 8.3045 122.0460 61.6789 34.0485 174.4961 15 A 5.1653 8.9086 129.2346 49.1749 22.6306 174.7357 16 R 4.7364 8.4437 121.0583 55.0488 32.5279 175.9489 17 V 4.4142 8.5350 121.4519 61.4039 34.0935 173.9858 18 F 5.9440 9.1202 127.8828 56.0862 41.2637 175.1832 19 L 5.1634 9.7650 124.6736 53.2674 44.7685 175.8385 20 R 4.5744 7.9736 118.9257 53.7583 34.8035 172.7539 21 P 4.0105 0.0000 0.0000 63.0782 31.7831 176.2435 22 G 4.3510 8.2459 110.3748 47.1847 0.0000 171.9204 23 N 4.3699 8.7521 116.9098 58.1273 38.5058 175.6689 24 G 4.2305 7.7009 104.1084 44.7165 0.0000 173.9654 25 K 4.2001 8.2267 120.5524 56.8674 33.7286 176.0314 26 V 4.9582 8.2336 121.0620 61.9001 35.4689 174.0441 27 T 4.8221 8.7041 120.0506 62.4636 73.5322 173.3102 28 V 4.7721 7.7872 124.4586 59.8637 33.5709 175.0657 29 N 3.8760 8.8626 128.5964 54.1811 35.4815 175.6172 30 G 4.0582 8.2244 106.4897 45.2842 0.0000 173.6792 31 Q 4.3473 7.3489 117.7075 53.8619 30.5087 174.3066 32 D 4.4272 9.0160 120.9727 55.6626 41.4559 177.1277 33 F 3.8553 8.5818 129.3697 61.6155 39.9311 179.4088 34 N 4.7409 8.0831 116.2784 53.1376 37.5432 175.9912 35 E 4.4711 8.8714 119.9813 57.3108 32.2749 175.9732 36 Y 4.4445 7.4246 117.7467 59.3264 39.2674 175.4816 37 F 4.9911 7.3476 118.2548 56.7646 40.1045 174.3512 38 Q 4.1196 8.2005 121.8348 57.4873 29.2535 175.4856 39 G 3.9882 8.7083 111.7356 46.4297 0.0000 174.1076 40 L 4.2790 7.2545 120.1238 58.2388 42.2658 178.3156 41 V 2.8923 7.2200 120.3076 62.5012 34.5344 175.7559 42 R 4.1075 8.9564 116.9448 56.2143 29.0992 173.6651 43 A 4.4864 7.8830 122.8888 52.8778 21.7038 178.9705 44 V 4.0072 7.8701 107.5396 63.3174 32.2763 178.0680 45 A 4.0486 8.1412 121.9622 55.0030 17.6266 179.2623 46 A 4.1253 8.2082 119.3316 54.8457 17.8895 178.7690 47 L 4.5252 7.5693 115.8099 55.0242 42.0146 178.2778 48 E 4.1414 8.1267 122.5495 58.0902 29.3784 176.5914 49 P 3.8151 0.0000 0.0000 64.6818 31.2685 177.4558 50 L 4.1375 7.2835 116.6106 55.9504 41.8723 178.5474 51 R 4.1179 7.7443 118.6565 58.6621 30.2594 178.3055 52 A 3.6229 7.0222 116.4518 54.0353 18.5433 178.1575 53 V 3.9276 7.3365 107.4472 60.0595 33.2936 178.1796 54 D 4.5708 8.8188 119.9978 55.4393 40.9836 174.7121 55 A 4.4690 7.9850 123.4647 51.2395 16.6757 177.1210 56 L 4.2148 7.7306 123.2360 56.2653 43.1432 176.8866 57 G 4.3649 7.8542 107.0975 43.8785 0.0000 172.4450 *58 H 4.8807 8.5815 116.2263 54.8911 32.0793 174.2068 59 F 4.9707 8.1911 117.0003 55.7087 42.4558 175.4948 60 D 4.6172 10.1871 123.1139 55.0626 43.8463 175.0198 61 A 4.7286 8.3945 119.8143 52.5940 22.3598 175.1988 62 Y 4.7943 9.1422 124.8967 57.1356 40.8441 174.6493 63 I 4.9275 8.1680 127.2824 59.7896 41.0991 175.1805 64 T 5.1558 8.2014 116.8203 60.2697 71.3180 174.0177 65 V 4.6904 7.8805 117.9636 61.1703 33.6261 173.0791 66 R 4.3183 9.4164 124.4187 57.9206 34.4235 175.2529 67 G 3.9235 8.3430 111.2326 48.2248 0.0000 173.3813 68 G 3.7061 8.7167 108.0613 44.1449 0.0000 172.8260 69 G 4.1507 8.1536 104.0161 42.6393 0.0000 174.5348 70 K 3.8171 8.5313 122.8732 59.3197 32.0881 179.3157 71 S 3.9090 7.8298 113.0294 61.1842 62.4993 176.2741 72 G 3.7031 7.9308 107.7010 47.4785 0.0000 175.5375 73 Q 4.0924 8.3860 120.8504 58.9396 28.8554 178.4084 74 I 3.4283 7.6278 120.1624 63.4809 36.7728 177.7957 75 D 4.5151 7.7614 119.3919 56.5507 41.0930 178.1556 76 A 4.0969 8.2380 121.6229 55.4053 18.3126 179.4930 77 I 3.6603 8.8735 118.7541 64.5010 37.3030 178.6814 78 K 4.3224 7.6264 120.3461 58.8219 32.0708 178.7153 79 L 4.1830 8.1136 120.7925 58.2024 42.0065 178.7841 80 G 3.9007 8.3326 105.9826 48.2308 0.0000 175.3292 81 I 3.6766 7.6251 121.6068 64.1124 37.2823 177.9239 82 A 3.9665 7.6755 119.9077 55.7059 18.0675 179.6227 83 R 3.8907 8.3702 115.6188 60.1115 29.9151 177.2687 84 A 5.0240 8.7167 123.3486 52.9334 18.1741 178.5037 85 L 3.8683 7.9733 122.6117 57.5372 40.8636 179.6035 86 V 3.9599 7.5046 119.1909 64.4224 31.9057 177.7035 87 Q 4.1143 9.2685 121.2626 59.2436 28.7963 179.6131 88 Y 4.2523 8.1847 116.3239 57.4145 36.0907 175.8004 89 N 4.2582 8.4415 114.3075 52.4900 43.3879 174.0494 90 P 4.5587 0.0000 0.0000 65.4768 32.1986 177.2996 91 D 4.5154 8.2658 118.7108 57.2963 41.3646 176.5319 92 Y 4.5027 7.4538 117.3196 57.5522 36.0160 174.1683 93 R 4.3632 7.6912 122.0099 57.9658 33.6252 175.3462 94 A 4.3670 7.3725 119.8804 49.4653 16.4836 176.4922 95 K 4.3700 7.1067 123.4940 56.1915 35.1670 176.1221 96 L 4.3445 7.6600 122.2322 56.9985 42.9126 178.0638 97 K 3.9840 7.7475 119.2424 59.0631 32.5503 177.0790 98 P 4.5726 0.0000 0.0000 63.3035 30.7503 176.7265 99 L 4.6289 7.3473 118.6490 53.0357 43.6169 175.3558 100 G 3.9684 9.1398 109.4185 46.2766 0.0000 173.2724 101 F 4.5860 9.1400 117.4751 57.6077 42.4296 175.0161 102 L 4.9311 7.8740 120.4138 54.6795 42.0267 176.2627 103 T 4.7404 7.4157 113.7632 61.7123 72.5812 175.3253 104 R 3.8801 8.6328 123.9206 57.4770 31.1288 175.5432 105 D 4.1848 8.0075 116.1475 53.8709 38.2469 173.8224 106 A 3.9737 7.9602 122.7540 54.1825 19.0686 178.1438 107 R 3.8767 7.4549 114.4464 57.0117 30.2506 176.3407 108 V 4.4693 7.8638 114.5436 59.2651 35.8913 174.9054 109 V 3.6359 8.2534 121.6824 62.9880 31.5171 175.6538 110 E 4.4095 8.4289 125.3199 54.4450 31.2049 175.8356 111 R 3.7363 8.3357 119.8463 56.3162 30.2525 175.8649 112 K 4.1587 8.5404 126.7007 56.0954 32.2634 176.3001 113 K 4.2849 8.4640 126.8932 55.6039 32.9665 176.7337 114 Y 4.4526 8.3976 120.6842 58.3615 38.4721 175.4077 115 G 4.0915 8.9388 110.2471 45.1693 0.0000 174.0686 116 K 4.5479 7.3142 116.6497 55.0571 33.8792 176.3255 117 H 4.6066 9.3689 119.3944 58.2468 28.9915 177.4395 118 K 4.3295 7.8656 117.4886 55.5367 33.1561 173.7444 119 A 3.5614 9.2001 127.1126 54.7958 15.3062 176.3205 120 R 4.3988 8.7995 120.1826 57.4987 27.5738 177.1448 121 R 4.0265 7.7753 119.4330 55.6745 28.5356 175.4951 122 A 4.4449 8.0842 127.6133 50.4514 19.3051 175.0384 123 P 4.6700 0.0000 0.0000 62.0047 32.4164 175.5735 124 Q 4.2149 8.3682 119.8890 55.6144 29.4385 174.7477 125 Y 4.7423 8.4752 126.2137 57.8720 39.8642 174.0259 126 S 4.4343 9.2051 118.8239 60.3358 67.9107 174.2159 127 K 4.6384 8.7462 119.5210 56.3767 29.8917 176.7549 128 R 4.1494 7.5766 117.1823 56.2854 29.6963 175.9878 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 2 E 8.44 4.52 0.00 2.04 2.10 0.00 0.00 0.00 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 2.32 0.00 3 Q 8.19 4.54 0.00 2.07 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.67 0.00 0.00 0.00 0.00 0.00 2.20 2.48 0.00 4 Y 9.37 4.93 0.00 2.95 2.74 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 5 Y 9.44 6.30 0.00 3.23 3.01 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 0.00 0.00 0.00 0.00 6 G 5.38 4.30 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 0.00 7 T 7.70 4.28 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 1.33 0.00 0.00 8 G 8.29 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 0.00 0.00 0.00 0.00 9 R 8.07 5.34 0.00 1.79 1.77 0.00 3.07 0.00 0.00 3.90 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.49 0.00 10 R 8.71 4.21 0.00 1.93 1.79 0.00 3.36 0.00 0.00 3.11 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.59 0.00 11 K 9.23 3.60 0.00 1.92 1.76 0.00 1.84 0.00 0.00 1.80 0.00 0.00 2.87 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.43 7.81 12 E 8.35 3.97 0.00 2.20 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 0.00 2.29 2.23 0.00 13 A 8.17 5.13 1.39 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 0.00 0.00 0.00 0.00 0.00 0.00 14 V 8.30 4.60 2.23 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 1.06 0.00 0.00 1.04 0.00 0.00 15 A 8.91 5.17 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 16 R 8.44 4.74 0.00 1.50 1.20 0.00 2.69 0.00 0.00 3.04 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.59 0.00 17 V 8.53 4.41 2.18 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 1.04 0.00 0.00 0.92 0.00 0.00 18 F 9.12 5.94 0.00 3.50 2.95 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 19 L 9.76 5.16 0.00 1.54 1.49 0.79 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 20 R 7.97 4.57 0.00 1.68 1.65 0.00 3.24 0.00 0.00 3.38 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.69 0.00 21 P 0.00 4.01 0.00 1.73 1.62 0.00 3.55 0.00 0.00 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.50 0.00 22 G 8.25 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 N 8.75 4.37 0.00 2.79 2.91 0.00 0.00 6.89 7.84 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 24 G 7.70 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 0.00 0.00 0.00 0.00 25 K 8.23 4.20 0.00 1.86 1.96 0.00 1.45 0.00 0.00 1.75 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.78 1.46 7.81 26 V 8.23 4.96 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 0.78 0.00 0.00 0.78 0.00 0.00 27 T 8.70 4.82 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 1.21 0.00 0.00 28 V 7.79 4.77 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 0.84 0.00 0.00 1.04 0.00 0.00 29 N 8.86 3.88 0.00 2.65 2.65 0.00 0.00 7.13 7.60 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 30 G 8.22 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.35 4.35 0.00 1.99 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.98 0.00 0.00 0.00 0.00 0.00 2.35 2.25 0.00 32 D 9.02 4.43 0.00 2.69 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 33 F 8.58 3.86 0.00 3.05 3.01 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 0.00 0.00 0.00 0.00 34 N 8.08 4.74 0.00 2.83 2.87 0.00 0.00 6.86 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 35 E 8.87 4.47 0.00 1.76 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 0.00 2.22 2.22 0.00 36 Y 7.42 4.44 0.00 2.71 2.39 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 0.00 0.00 0.00 0.00 37 F 7.35 4.99 0.00 2.49 2.54 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 0.00 0.00 0.00 0.00 38 Q 8.20 4.12 0.00 2.03 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.70 0.00 0.00 0.00 0.00 0.00 2.34 2.31 0.00 39 G 8.71 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 40 L 7.25 4.28 0.00 1.65 1.46 0.66 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 41 V 7.22 2.89 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 0.77 0.00 0.00 0.90 0.00 0.00 42 R 8.96 4.11 0.00 1.76 1.81 0.00 3.19 0.00 0.00 3.16 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 43 A 7.88 4.49 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 44 V 7.87 4.01 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 0.84 0.00 0.00 0.99 0.00 0.00 45 A 8.14 4.05 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 46 A 8.21 4.13 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.57 4.53 0.00 1.70 1.62 0.44 0.42 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 48 E 8.13 4.14 0.00 2.21 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 0.00 2.46 2.46 0.00 49 P 0.00 3.82 0.00 2.26 2.50 0.00 3.75 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.39 0.00 50 L 7.28 4.14 0.00 1.84 1.71 0.86 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 51 R 7.74 4.12 0.00 2.01 1.91 0.00 3.17 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 52 A 7.02 3.62 1.04 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 0.00 0.00 0.00 0.00 0.00 0.00 53 V 7.34 3.93 2.46 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 0.85 0.00 0.00 0.95 0.00 0.00 54 D 8.82 4.57 0.00 2.81 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 55 A 7.98 4.47 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.73 4.21 0.00 1.63 1.72 0.92 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 57 G 7.85 4.36 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 0.00 0.00 0.00 *58 H 8.58 4.88 0.00 3.14 2.93 0.00 7.12 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 59 F 8.19 4.97 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 60 D 10.19 4.62 0.00 2.66 2.65 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 0.00 0.00 0.00 0.00 61 A 8.39 4.73 1.19 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 0.00 0.00 0.00 62 Y 9.14 4.79 0.00 3.20 3.11 0.00 0.00 0.00 0.00 0.00 0.00 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 8.17 4.93 1.91 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 1.25 0.44 0.91 0.00 0.00 64 T 8.20 5.16 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 0.97 0.00 0.00 65 V 7.88 4.69 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 0.64 0.00 0.00 1.16 0.00 0.00 66 R 9.42 4.32 0.00 1.74 1.86 0.00 3.08 0.00 0.00 3.18 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.57 0.00 67 G 8.34 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 68 G 8.72 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.15 4.15 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 K 8.53 3.82 0.00 1.56 1.41 0.00 1.52 0.00 0.00 1.63 0.00 0.00 2.71 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.22 1.45 7.81 71 S 7.83 3.91 0.00 3.73 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 72 G 7.93 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 0.00 0.00 0.00 73 Q 8.39 4.09 0.00 2.27 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.76 0.00 0.00 0.00 0.00 0.00 2.54 2.56 0.00 74 I 7.63 3.43 1.78 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.33 0.49 0.97 0.00 0.00 75 D 7.76 4.52 0.00 2.82 2.65 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 0.00 0.00 0.00 0.00 76 A 8.24 4.10 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 0.00 0.00 0.00 0.00 0.00 77 I 8.87 3.66 2.17 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.95 1.07 0.00 0.00 78 K 7.63 4.32 0.00 2.16 2.00 0.00 1.63 0.00 0.00 1.50 0.00 0.00 2.59 0.00 0.00 2.20 0.00 0.00 0.00 0.00 1.52 1.46 7.81 79 L 8.11 4.18 0.00 1.73 1.81 0.95 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 80 G 8.33 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 81 I 7.63 3.68 2.06 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 1.79 0.79 0.86 0.00 0.00 82 A 7.68 3.97 1.52 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 0.00 0.00 83 R 8.37 3.89 0.00 1.76 2.17 0.00 3.37 0.00 0.00 3.14 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.62 0.00 84 A 8.72 5.02 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.97 3.87 0.00 1.52 1.47 1.13 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 86 V 7.50 3.96 2.33 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 0.83 0.00 0.00 1.04 0.00 0.00 87 Q 9.27 4.11 0.00 2.18 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 7.18 0.00 0.00 0.00 0.00 0.00 2.21 2.36 0.00 88 Y 8.18 4.25 0.00 3.01 3.04 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 0.00 0.00 0.00 0.00 89 N 8.44 4.26 0.00 2.49 2.58 0.00 0.00 6.81 8.68 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 90 P 0.00 4.56 0.00 2.20 2.18 0.00 3.81 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 2.01 1.99 0.00 91 D 8.27 4.52 0.00 2.93 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 92 Y 7.45 4.50 0.00 3.18 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 93 R 7.69 4.36 0.00 2.13 1.84 0.00 3.26 0.00 0.00 3.37 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.68 0.00 94 A 7.37 4.37 1.28 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 0.00 0.00 0.00 0.00 0.00 0.00 95 K 7.11 4.37 0.00 1.63 1.73 0.00 1.47 0.00 0.00 1.67 0.00 0.00 2.86 0.00 0.00 2.60 0.00 0.00 0.00 0.00 0.80 1.16 7.81 96 L 7.66 4.34 0.00 1.74 1.87 1.06 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 97 K 7.75 3.98 0.00 1.85 1.77 0.00 1.79 0.00 0.00 1.83 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.52 1.48 7.81 98 P 0.00 4.57 0.00 2.08 2.07 0.00 3.68 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 99 L 7.35 4.63 0.00 1.50 1.86 1.02 1.05 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 0.00 100 G 9.14 3.97 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 0.00 101 F 9.14 4.59 0.00 2.94 3.04 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 0.00 0.00 0.00 0.00 102 L 7.87 4.93 0.00 1.61 1.59 0.93 0.94 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 0.00 103 T 7.42 4.74 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 1.19 0.00 0.00 104 R 8.63 3.88 0.00 1.79 1.98 0.00 3.65 0.00 0.00 3.13 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.56 0.00 105 D 8.01 4.18 0.00 2.83 2.65 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 0.00 0.00 0.00 0.00 106 A 7.96 3.97 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 0.00 107 R 7.45 3.88 0.00 1.82 1.92 0.00 3.08 0.00 0.00 3.44 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.61 0.00 108 V 7.86 4.47 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 0.72 0.00 0.00 0.96 0.00 0.00 109 V 8.25 3.64 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 0.81 0.00 0.00 0.92 0.00 0.00 110 E 8.43 4.41 0.00 2.11 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 2.23 2.28 0.00 111 R 8.34 3.74 0.00 1.77 1.88 0.00 3.18 0.00 0.00 3.10 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 112 K 8.54 4.16 0.00 1.76 1.74 0.00 2.05 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.45 1.39 7.81 113 K 8.46 4.28 0.00 2.00 1.88 0.00 1.86 0.00 0.00 1.90 0.00 0.00 3.04 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.57 1.49 7.81 114 Y 8.40 4.45 0.00 3.00 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 0.00 115 G 8.94 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 116 K 7.31 4.55 0.00 2.02 1.76 0.00 1.72 0.00 0.00 1.68 0.00 0.00 2.77 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.56 7.81 117 H 9.37 4.61 0.00 3.30 3.34 0.00 5.66 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 0.00 118 K 7.87 4.33 0.00 1.71 1.76 0.00 1.89 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.36 1.47 7.81 119 A 9.20 3.56 1.41 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 0.00 0.00 120 R 8.80 4.40 0.00 1.88 2.43 0.00 3.22 0.00 0.00 3.16 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.52 0.00 121 R 7.78 4.03 0.00 1.83 1.89 0.00 3.36 0.00 0.00 3.39 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.58 0.00 122 A 8.08 4.44 1.25 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 0.00 123 P 0.00 4.67 0.00 2.21 2.04 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 1.96 1.89 0.00 124 Q 8.37 4.21 0.00 2.07 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 7.06 0.00 0.00 0.00 0.00 0.00 2.38 2.38 0.00 125 Y 8.48 4.74 0.00 2.90 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 0.00 126 S 9.21 4.43 0.00 3.91 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 K 8.75 4.64 0.00 1.80 2.15 0.00 1.52 0.00 0.00 1.68 0.00 0.00 2.82 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.33 0.94 7.81 128 R 7.58 4.15 0.00 1.90 1.88 0.00 3.19 0.00 0.00 3.38 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.55 0.00 * Residues marked with a * may have inaccurate shift predictions.