NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 Y 4.6515 8.1444 121.6901 57.5725 39.9884 174.0188 0 K 4.0918 7.0490 124.9687 53.5424 35.0785 173.0658 1 D 4.3767 8.7853 124.7521 52.9213 42.7487 173.2827 2 I 4.3563 8.0760 119.8032 59.9119 38.5994 175.4335 3 Q 4.5680 8.8669 125.0484 55.3924 30.3772 174.6208 4 M 5.1586 8.6919 122.2906 53.9416 34.5095 175.3684 5 T 4.7160 9.2852 119.5696 62.0549 71.5224 173.2687 6 Q 4.6992 8.5809 123.1709 53.9520 30.1174 175.6783 7 T 4.0074 8.6890 120.5497 66.0815 68.9660 174.8536 8 T 4.4288 7.2938 116.2840 62.4023 69.1459 174.5059 9 S 4.9288 8.5498 120.7021 57.8748 65.0920 173.6888 10 S 5.1413 7.9470 114.3583 56.4710 65.6008 172.8492 11 L 4.6651 8.8970 127.5395 53.6743 45.7602 174.2051 12 S 5.2774 8.8192 120.3542 56.6094 65.1357 172.5015 13 A 4.8296 8.8964 127.5043 50.9907 23.4775 174.2218 14 S 5.0729 9.1239 114.1005 56.3621 66.2082 174.8018 15 L 4.2803 8.3919 122.4643 56.6400 41.8342 177.7732 16 G 3.9623 8.9468 112.2015 45.2559 0.0000 173.6150 17 D 4.5692 7.8874 119.3656 54.1404 42.4324 175.2151 18 R 4.6782 8.2839 120.9838 55.1675 31.1615 175.5172 19 V 4.4477 8.8235 126.4408 61.3816 34.7003 174.3194 20 T 4.8581 8.1618 121.5270 61.7483 72.1080 173.1563 21 V 4.3269 8.5483 126.4940 61.2586 33.6702 174.7390 22 S 5.4900 8.7045 123.1887 57.5463 65.7108 173.8920 23 C 5.2670 9.1673 120.5966 55.7307 43.9862 172.8422 24 R 5.4326 9.2509 123.8078 54.4859 33.3417 174.4148 25 A 5.1815 9.1052 125.3772 50.4047 21.1613 178.0593 26 S 4.2887 8.9350 115.0057 60.3719 63.5628 173.7836 27 Q 4.4937 7.5910 117.0317 54.7431 31.3191 173.2682 28 D 4.4296 8.7427 118.0852 55.3129 41.4161 175.9725 29 I 4.3718 8.6398 118.6289 59.7682 38.0660 175.8711 30 R 3.9478 9.6293 118.2739 58.0167 28.0148 176.8586 31 N 4.4345 8.2780 111.2566 53.8472 37.9503 174.7208 32 Y 4.5955 7.6454 118.6074 56.6065 36.3771 173.3121 33 L 4.7378 7.2204 121.8336 53.0235 45.6224 175.0369 34 N 5.5371 8.9627 123.7336 51.3395 42.0083 173.6796 35 W 5.4980 8.9653 120.6365 55.3013 32.5912 174.3511 36 Y 5.3584 9.5962 121.0895 56.2297 41.9755 174.2005 37 Q 4.4031 9.1432 123.1686 54.2775 32.0751 173.8162 38 Q 4.7817 8.9099 128.9598 54.2751 30.4895 175.5214 39 K 4.5000 8.8027 126.8540 55.3481 32.8154 176.6256 40 P 4.2512 0.0000 0.0000 65.2656 31.2339 177.2352 41 D 4.5897 8.0739 115.8115 53.2708 39.6858 177.1548 42 G 4.0994 8.3551 110.0222 45.4641 0.0000 174.3175 43 T 4.2760 8.2414 110.5719 61.6589 70.2190 173.6610 44 V 4.4260 8.1452 123.0253 60.8782 33.7304 174.5016 45 K 4.5553 8.7199 128.6036 54.3089 35.2357 174.5999 46 F 4.8580 9.1121 130.0844 58.7177 39.3481 174.1615 47 L 4.2777 9.1643 127.0039 56.0809 43.5455 177.0116 48 I 5.0093 7.4749 117.9068 59.5741 41.6616 173.9358 49 Y 5.2634 9.0913 126.8119 57.0629 41.7933 174.2586 50 Y 3.7157 8.1858 123.8230 57.8324 37.6370 170.2777 51 T 3.9065 8.5873 126.4932 64.4457 68.2810 174.6189 52 S 4.6897 7.6537 109.0767 57.5677 64.6143 173.5010 53 R 4.3931 8.2713 121.9431 55.3022 30.6823 175.8370 54 L 4.5012 8.4044 125.0887 54.6968 42.5267 177.5228 55 Q 4.1554 8.7367 122.8770 54.3263 30.3013 173.8466 56 P 4.2462 0.0000 0.0000 64.4769 31.8194 177.0114 57 G 4.0626 8.8286 110.3507 45.8270 0.0000 174.2342 58 V 3.4636 7.2472 119.7764 61.8034 31.8634 173.9728 59 P 4.4450 0.0000 0.0000 62.6879 31.6259 177.3254 60 S 4.1776 8.8588 115.7473 61.5783 62.8798 175.7621 61 R 4.0285 8.0883 116.9312 58.2857 29.9831 176.5648 62 F 4.9578 8.3314 119.2179 56.8610 40.3016 175.4209 63 S 4.6911 8.8517 115.8069 57.1901 66.4429 173.2917 64 G 4.7531 8.7849 108.0567 43.8905 0.0000 171.5357 65 S 4.6541 8.8957 115.1317 57.2258 67.1233 172.5935 66 G 3.9218 8.1610 105.7785 43.4560 0.0000 172.2570 67 S 4.4192 7.6552 112.7570 58.2082 67.3710 180.0855 68 G 3.9352 8.0943 115.2590 47.0817 0.0000 177.1572 69 T 4.4768 8.7449 117.5819 61.5007 70.4356 173.2805 70 D 5.4097 7.4713 122.4182 52.9574 42.7041 175.3661 71 Y 5.2794 9.4069 121.1165 56.3868 42.7088 174.5924 72 S 5.3874 9.3560 115.5128 56.8836 67.3198 172.2768 73 L 4.5841 8.2689 123.7347 53.3588 44.3382 175.0251 74 T 4.8423 8.8645 122.7747 61.6610 71.9181 173.0934 75 I 4.2552 8.6329 127.0138 59.4817 39.4062 174.6398 76 N 4.6038 8.6603 125.2974 52.6566 39.6749 175.3536 77 N 4.1455 8.4929 116.8440 53.5066 36.0668 173.9673 78 L 3.9388 8.1386 120.5004 55.6319 43.2749 175.8530 79 E 4.9793 9.6017 124.2912 54.0263 33.2913 176.6097 80 Q 3.9691 8.8575 121.7856 59.4906 28.9349 178.5989 81 E 4.2303 8.1430 112.6333 58.0915 29.6306 176.8680 82 D 4.8894 8.1834 119.4752 54.9826 41.4719 176.9168 83 I 4.0503 7.6148 113.7586 60.2330 38.3689 177.0279 84 G 3.8085 7.1818 108.7822 45.4254 0.0000 170.4741 85 T 5.0783 8.0316 117.3444 61.9905 71.0526 173.2875 86 Y 5.0719 9.0211 125.1095 56.8567 39.8901 174.7608 87 F 5.4299 9.7038 122.7896 55.8594 42.7530 172.0411 88 C 4.7572 8.7843 116.5594 54.0556 42.2585 172.3733 89 Q 4.8251 8.2108 121.1410 54.8031 31.7552 173.2780 90 Q 4.3619 8.5675 125.2585 55.2307 30.2931 176.5183 91 G 3.1029 8.5307 110.8094 45.7891 0.0000 173.9362 92 N 4.1408 8.3534 120.8981 55.1712 39.4331 175.4988 93 T 4.5003 8.6206 114.4475 60.9713 71.7380 172.1267 94 P 3.5277 0.0000 0.0000 60.9660 31.9166 174.4818 95 P 3.6774 0.0000 0.0000 61.7059 31.9595 176.3552 96 W 4.5782 7.0551 122.5935 57.6423 29.7876 175.2948 97 T 5.0007 8.0216 111.9884 60.0297 71.7158 172.7736 98 F 5.3658 9.1077 120.9350 55.6731 42.6863 175.3205 99 G 4.0705 9.3149 109.2073 45.5023 0.0000 175.0213 100 G 3.9303 8.8655 108.2643 46.2809 0.0000 174.9226 101 G 3.5217 8.1870 104.9392 45.8069 0.0000 172.7559 102 T 4.8473 8.2165 116.1792 61.2993 72.3620 173.1419 103 K 4.5547 9.1825 129.7925 55.8000 33.6945 175.0611 104 L 5.2954 9.6691 131.6248 53.4848 44.1204 174.9508 105 E 5.0418 9.0206 123.2555 54.6167 33.8665 174.2769 106 I 4.8675 8.2110 120.5517 60.0072 38.3665 176.2790 107 K 4.2373 9.4439 126.3668 56.4139 33.6703 177.6827 108 R 3.2592 8.5333 109.1238 57.2989 27.3403 176.3318 *109 G 3.6489 8.2047 113.6922 46.4502 0.0000 172.0779 *1003 Q 4.2655 7.9567 120.3587 55.5879 29.8060 172.1626 1004 L 5.0529 8.2657 124.6492 52.3458 44.6605 174.9511 1005 Q 4.6267 9.2634 126.4965 54.5882 30.6577 174.5370 1006 Q 5.5451 9.2396 126.1160 53.7107 30.5395 176.0876 1007 S 4.3499 7.9013 118.5952 58.1743 64.1177 173.9840 1008 G 4.0470 8.4622 108.7241 44.9361 0.0000 171.2170 1009 P 4.8170 0.0000 0.0000 63.3497 31.8086 175.6791 1010 E 4.8277 9.2675 120.5883 54.5250 33.3635 174.7526 1011 L 5.1091 8.4683 124.0426 53.6002 44.8129 175.7154 1012 V 4.6542 8.8687 118.6567 59.5348 36.8184 174.9667 1013 K 5.1345 8.3685 120.8377 54.4922 33.6137 175.2141 1014 P 4.5347 0.0000 0.0000 64.1439 31.8600 176.1851 1015 G 4.0186 9.5186 111.2308 45.6133 0.0000 173.9617 1016 A 4.3041 7.5260 121.7049 51.5281 19.9768 175.4834 1017 S 5.1782 8.1902 109.7650 57.0457 66.1868 174.3645 1018 V 4.5535 8.6936 115.4211 59.5073 36.2687 174.4998 1019 K 4.9750 8.5989 124.4188 54.7489 34.4992 175.0681 1020 I 4.7405 8.4700 121.5989 59.2115 40.7497 174.8772 1021 S 5.2571 8.8268 118.2433 57.0450 66.7436 172.4843 1022 C 4.7295 8.7341 120.1444 55.0940 44.5065 172.2748 1023 K 4.4479 9.3420 129.7496 55.5039 33.1710 174.6606 1024 D 5.1996 8.4136 128.1877 53.0380 42.0068 176.1927 1025 S 4.4226 8.9859 121.8711 59.2109 63.6898 174.8382 1026 G 3.9902 9.0122 110.2488 45.1794 0.0000 173.2136 1027 Y 4.7255 9.0873 114.7713 56.6516 38.1258 175.6686 1028 A 4.4812 7.5860 120.6860 52.2081 20.0245 178.5163 1029 F 4.0381 8.5737 122.0909 62.8919 39.3966 176.4863 1030 N 4.1029 8.1766 116.2284 54.5775 38.5604 176.0855 1031 S 4.8474 7.1893 112.0542 56.6453 63.4029 173.7435 1032 S 4.7848 7.2636 114.3348 57.5281 67.1851 173.7180 1033 W 4.7033 9.0024 122.1437 56.7935 30.6910 175.2290 1034 M 4.8142 9.2225 124.1727 54.1294 33.5989 174.6202 1035 N 5.3818 9.2124 124.3958 51.9819 41.5832 174.2886 1036 W 5.1176 8.4121 119.9501 54.9174 33.1333 174.7840 1037 V 4.8872 9.3298 123.5022 60.9424 34.8383 173.7706 1038 K 4.5909 9.1967 128.4120 54.5960 34.6102 174.3082 1039 Q 5.6318 8.6674 128.5260 53.7399 31.6912 174.4159 1040 R 5.0863 8.3103 123.2756 53.0884 35.0006 172.9209 1041 P 4.3053 0.0000 0.0000 64.5784 31.4888 176.8840 1042 G 4.0121 9.4153 109.9577 44.9119 0.0000 174.6063 1043 Q 3.9623 8.4521 117.3731 55.5952 27.4995 173.9668 1044 G 4.0495 7.9070 105.7285 46.6525 0.0000 172.5728 1045 L 5.2935 8.4531 121.1291 52.5763 45.0342 175.7769 1046 E 4.9887 9.0406 121.5605 54.2896 33.4444 174.7259 1047 W 4.7216 9.3729 134.7163 57.5637 31.0967 175.7110 1048 I 3.3956 8.7366 129.0352 61.9154 38.1813 176.2022 1049 G 2.6194 5.4841 105.9657 46.1824 0.0000 171.0396 1050 R 5.3320 7.5608 115.0147 55.1706 33.4386 173.9464 1051 I 5.3203 8.9153 119.2826 59.7869 42.0211 173.3435 1052 Y 4.3277 9.2936 130.8620 55.0978 38.7982 173.9363 1052A P 4.0172 0.0000 0.0000 65.2956 31.7347 178.1580 1053 G 3.5404 6.0636 106.6466 48.0428 0.0000 173.7160 1054 D 4.6702 7.4520 114.3913 52.0271 40.4999 176.2340 1055 G 3.9017 8.2409 106.7796 45.9452 0.0000 173.7674 1056 D 4.7874 8.6275 121.1312 54.4330 42.2658 175.2825 1057 S 5.4238 8.7305 118.3544 56.9914 66.5244 172.7696 1058 N 5.2693 8.9238 117.8233 51.8811 42.5829 173.0552 1059 Y 4.9446 8.5923 118.5418 55.8416 42.1020 174.7506 1060 N 4.7606 9.2368 122.4088 53.5013 39.9587 176.1827 1061 G 3.9895 9.5071 115.1608 48.8358 0.0000 175.4490 1062 K 3.9634 8.9378 118.6741 58.2873 32.1733 177.6936 1063 F 4.8441 8.5058 116.2638 56.9235 39.7703 176.8397 1064 E 3.6910 7.9840 120.9553 58.6715 29.3334 178.2302 1065 G 3.8474 7.8237 105.4236 45.9598 0.0000 174.7543 1066 K 4.0226 8.0454 120.8944 58.2500 32.6581 175.9127 1067 A 5.3500 8.0867 119.0571 50.0872 21.6306 176.1774 1068 I 4.5978 8.4283 120.7291 59.5822 40.8440 174.3755 1069 L 5.0947 9.4557 128.1478 53.3814 43.3892 176.0054 1070 T 4.9811 8.9492 112.4951 60.3588 73.0061 172.2366 1071 A 5.2910 8.5390 121.4311 50.9201 22.6299 175.5908 1072 D 4.7825 9.7539 121.8669 52.4632 42.3921 176.9301 1073 K 4.4752 9.1832 126.4074 58.9570 32.3411 179.9887 1074 S 4.1899 8.2989 111.8505 60.3470 63.0490 174.8502 1075 S 4.5450 7.9082 113.0739 56.9302 63.4129 173.7806 1076 S 2.7900 7.5698 115.8807 60.1788 60.8901 171.9761 1077 T 4.5651 7.2061 114.5499 61.5258 72.0113 174.1380 1078 A 5.4002 8.5590 127.8487 50.7325 21.8949 175.2125 1079 Y 5.3197 9.2979 117.5610 56.4309 42.8511 174.3386 1080 M 4.5671 8.4951 121.1689 53.6697 35.5162 173.5176 1081 Q 4.9872 8.7880 127.7469 54.3175 31.6096 173.8282 1082 L 5.1690 8.8932 126.5868 53.1702 44.2000 175.9801 1082A S 4.9381 8.5242 119.1264 55.8567 66.3296 173.6727 1082B S 3.7987 8.4981 114.0154 59.2242 60.3593 173.3922 1082C L 4.3034 7.7599 119.8273 55.4327 42.2780 177.2869 1083 T 4.9586 9.0328 112.4932 59.2250 71.9716 174.9479 1084 S 4.1534 8.5342 115.3916 60.8669 62.9315 176.4419 1085 V 3.8437 7.3748 119.6970 63.4643 31.3879 176.6084 1086 D 4.7670 8.0701 119.7943 55.4104 41.2453 176.8491 1087 S 4.5655 7.8975 116.5087 58.5240 63.4209 173.9154 1088 A 4.1844 8.0552 124.5074 52.2393 24.4243 174.1450 1089 V 4.6074 7.3845 116.7896 61.6009 33.7197 174.6783 1090 Y 5.2241 8.9312 125.6592 56.3304 40.6972 174.7950 1091 F 5.4008 9.7424 122.3761 55.7818 42.7625 171.9268 1092 C 4.4980 8.2723 115.1455 53.6335 41.0262 172.5275 1093 A 4.6565 8.0529 121.1819 50.8863 22.4882 175.8074 1094 R 4.8371 8.8672 123.7215 55.9253 32.0805 175.3403 1095 S 4.9355 9.0265 117.8311 56.5963 66.8868 174.1828 1096 G 4.0689 8.6571 111.0474 44.9297 0.0000 173.6621 1097 L 4.3318 8.3561 118.2803 56.6014 42.0018 178.1817 1098 L 4.3234 7.6878 116.4153 56.1901 43.0353 177.1700 1099 R 3.5916 7.5252 116.2439 56.6095 30.7441 177.2523 1100 Y 4.5640 7.8716 123.2649 56.5620 37.2059 174.2563 1100A A 4.3567 7.1869 120.6479 51.3260 22.7197 176.2787 1100B M 4.8466 8.8046 119.8071 53.0124 31.8337 176.3760 1101 D 4.8301 8.5994 124.2843 55.2075 40.5349 176.2868 1102 Y 4.9401 8.0965 117.4860 56.0335 41.6040 174.3736 1103 W 5.1033 9.2882 123.5270 54.7794 32.4040 175.8307 1104 G 4.2715 8.9331 111.2916 45.3357 0.0000 173.6895 1105 Q 4.3814 8.8006 116.5256 56.6877 29.2394 177.2684 1106 G 3.2343 8.5110 104.3861 45.7744 0.0000 172.7518 1107 T 4.5790 8.2805 116.7134 61.3852 72.2927 173.1801 1108 S 4.7413 8.6967 121.6435 57.8889 64.2026 172.6689 1109 V 4.8417 9.1112 126.9632 61.5106 34.3843 173.9783 1110 T 4.9307 8.9571 124.8799 61.7448 71.2939 173.3197 1111 V 4.6466 8.8534 127.4277 61.5478 32.7127 174.9174 1112 S 4.7086 9.4082 125.0873 57.3226 66.4683 174.7988 1113 S 4.3951 8.6121 120.3079 58.3598 62.2232 174.1449 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 Y 8.14 4.65 0.00 2.92 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 0 K 7.05 4.09 0.00 1.64 1.41 0.00 1.70 0.00 0.00 1.65 0.00 0.00 3.04 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.23 1.41 7.81 1 D 8.79 4.38 0.00 2.76 2.30 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 2 I 8.08 4.36 1.87 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 1.55 0.59 0.92 0.00 0.00 3 Q 8.87 4.57 0.00 2.10 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.77 0.00 0.00 0.00 0.00 0.00 2.42 2.64 0.00 4 M 8.69 5.16 0.00 1.89 2.17 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.49 0.00 5 T 9.29 4.72 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 1.29 0.00 0.00 6 Q 8.58 4.70 0.00 2.03 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.86 0.00 0.00 0.00 0.00 0.00 2.66 2.45 0.00 7 T 8.69 4.01 4.28 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 1.24 0.00 0.00 8 T 7.29 4.43 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 1.24 0.00 0.00 9 S 8.55 4.93 0.00 3.90 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 0.00 10 S 7.95 5.14 0.00 3.85 3.72 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 11 L 8.90 4.67 0.00 1.76 1.56 0.89 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 12 S 8.82 5.28 0.00 3.91 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 13 A 8.90 4.83 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 14 S 9.12 5.07 0.00 3.85 3.72 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 15 L 8.39 4.28 0.00 1.61 1.59 0.92 1.05 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 16 G 8.95 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 0.00 0.00 0.00 17 D 7.89 4.57 0.00 2.66 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.28 4.68 0.00 1.73 1.75 0.00 3.24 0.00 0.00 3.08 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.49 0.00 19 V 8.82 4.45 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.82 0.00 0.00 20 T 8.16 4.86 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 1.17 0.00 0.00 21 V 8.55 4.33 1.59 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 1.31 0.00 0.00 0.62 0.00 0.00 22 S 8.70 5.49 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 23 C 9.17 5.27 0.00 3.13 3.23 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 24 R 9.25 5.43 0.00 1.81 1.81 0.00 3.20 0.00 0.00 3.21 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.61 0.00 25 A 9.11 5.18 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 26 S 8.94 4.29 0.00 3.91 4.10 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 0.00 0.00 0.00 27 Q 7.59 4.49 0.00 2.04 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.78 0.00 0.00 0.00 0.00 0.00 2.27 2.28 0.00 28 D 8.74 4.43 0.00 2.68 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 29 I 8.64 4.37 1.82 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.68 0.92 0.00 0.00 30 R 9.63 3.95 0.00 2.19 2.17 0.00 3.34 0.00 0.00 3.49 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 31 N 8.28 4.43 0.00 2.40 1.78 0.00 0.00 6.93 7.64 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 32 Y 7.65 4.60 0.00 3.05 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 33 L 7.22 4.74 0.00 0.59 0.77 0.22 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 34 N 8.96 5.54 0.00 2.64 2.78 0.00 0.00 6.34 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 35 W 8.97 5.50 0.00 3.28 3.18 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 0.00 0.00 0.00 0.00 36 Y 9.60 5.36 0.00 3.02 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 37 Q 9.14 4.40 0.00 1.58 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.78 0.00 0.00 0.00 0.00 0.00 1.96 1.52 0.00 38 Q 8.91 4.78 0.00 2.10 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.65 0.00 0.00 0.00 0.00 0.00 2.29 2.50 0.00 39 K 8.80 4.50 0.00 2.04 1.72 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.36 7.81 40 P 0.00 4.25 0.00 2.05 2.14 0.00 3.68 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.10 0.00 41 D 8.07 4.59 0.00 2.81 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.36 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 43 T 8.24 4.28 4.28 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 1.36 0.00 0.00 44 V 8.15 4.43 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 0.00 0.00 -0.75 0.00 0.00 -0.11 0.00 0.00 45 K 8.72 4.56 0.00 1.73 1.51 0.00 1.62 0.00 0.00 1.46 0.00 0.00 2.73 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.26 1.30 7.81 46 F 9.11 4.86 0.00 3.32 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 47 L 9.16 4.28 0.00 1.73 1.45 0.93 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 48 I 7.47 5.01 2.14 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 1.20 0.68 1.08 0.00 0.00 49 Y 9.09 5.26 0.00 3.19 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 50 Y 8.19 3.72 0.00 1.90 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.59 3.91 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 1.38 0.00 0.00 52 S 7.65 4.69 0.00 3.91 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 53 R 8.27 4.39 0.00 2.15 2.01 0.00 3.36 0.00 0.00 3.31 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.72 0.00 54 L 8.40 4.50 0.00 1.50 1.54 0.99 1.04 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 55 Q 8.74 4.16 0.00 1.67 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.87 0.00 0.00 0.00 0.00 0.00 1.60 1.16 0.00 56 P 0.00 4.25 0.00 1.99 2.00 0.00 3.63 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.09 0.00 57 G 8.83 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 58 V 7.25 3.46 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 0.43 0.00 0.00 0.81 0.00 0.00 59 P 0.00 4.45 0.00 2.41 2.26 0.00 3.66 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.20 0.00 60 S 8.86 4.18 0.00 4.00 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 61 R 8.09 4.03 0.00 1.94 2.17 0.00 3.10 0.00 0.00 3.27 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.37 0.00 62 F 8.33 4.96 0.00 2.98 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 63 S 8.85 4.69 0.00 3.84 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 64 G 8.78 4.75 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 0.00 0.00 0.00 65 S 8.90 4.65 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 66 G 8.16 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 67 S 7.66 4.42 0.00 3.64 3.50 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 0.00 0.00 0.00 0.00 68 G 8.09 3.94 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 0.00 0.00 0.00 69 T 8.74 4.48 4.52 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 1.29 0.00 0.00 70 D 7.47 5.41 0.00 2.51 2.57 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 71 Y 9.41 5.28 0.00 2.98 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 72 S 9.36 5.39 0.00 3.90 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 73 L 8.27 4.58 0.00 0.27 0.13 0.78 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 74 T 8.86 4.84 4.10 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 0.00 0.00 1.11 0.00 0.00 75 I 8.63 4.26 1.48 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.31 0.27 0.28 0.00 0.00 76 N 8.66 4.60 0.00 2.58 2.64 0.00 0.00 7.23 8.30 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 77 N 8.49 4.15 0.00 2.73 2.76 0.00 0.00 6.88 7.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 L 8.14 3.94 0.00 1.76 1.62 0.85 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 79 E 9.60 4.98 0.00 2.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.26 0.00 80 Q 8.86 3.97 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 6.96 0.00 0.00 0.00 0.00 0.00 2.45 2.46 0.00 81 E 8.14 4.23 0.00 2.16 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 2.34 2.44 0.00 82 D 8.18 4.89 0.00 2.82 2.91 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 83 I 7.61 4.05 2.00 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 1.55 0.56 0.99 0.00 0.00 84 G 7.18 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 0.00 0.00 0.00 85 T 8.03 5.08 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 0.72 0.00 0.00 86 Y 9.02 5.07 0.00 3.05 3.18 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 0.00 0.00 0.00 0.00 87 F 9.70 5.43 0.00 3.19 3.14 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 88 C 8.78 4.76 0.00 2.06 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 89 Q 8.21 4.83 0.00 1.84 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 7.01 0.00 0.00 0.00 0.00 0.00 1.74 1.16 0.00 90 Q 8.57 4.36 0.00 2.10 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.63 0.00 0.00 0.00 0.00 0.00 2.27 2.42 0.00 91 G 8.53 3.10 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 0.00 0.00 0.00 0.00 0.00 0.00 92 N 8.35 4.14 0.00 2.85 2.90 0.00 0.00 6.94 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 93 T 8.62 4.50 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 1.09 0.00 0.00 94 P 0.00 3.53 0.00 1.44 0.70 0.00 3.32 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 1.33 0.44 0.00 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0.00 0.00 0.00 0.00 1061 G 9.51 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 1062 K 8.94 3.96 0.00 1.49 1.26 0.00 1.21 0.00 0.00 1.29 0.00 0.00 2.30 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.05 0.89 7.81 1063 F 8.51 4.84 0.00 3.11 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 1064 E 7.98 3.69 0.00 2.00 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 2.41 2.53 0.00 1065 G 7.82 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1066 K 8.05 4.02 0.00 1.87 1.93 0.00 1.60 0.00 0.00 1.96 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.70 1.58 7.81 1067 A 8.09 5.35 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 1068 I 8.43 4.60 1.81 0.00 0.00 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 1.12 0.68 0.91 0.00 0.00 1069 L 9.46 5.09 0.00 1.43 1.56 0.55 0.30 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 1070 T 8.95 4.98 4.32 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 1.23 0.00 0.00 1071 A 8.54 5.29 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 1072 D 9.75 4.78 0.00 2.96 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 1073 K 9.18 4.48 0.00 1.89 1.92 0.00 2.07 0.00 0.00 1.83 0.00 0.00 2.95 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.72 1.45 7.81 1074 S 8.30 4.19 0.00 3.98 4.01 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 1075 S 7.91 4.54 0.00 3.91 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 1076 S 7.57 2.79 0.00 3.68 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1077 T 7.21 4.57 4.02 0.00 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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 1083 T 9.03 4.96 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 1.25 0.00 0.00 1084 S 8.53 4.15 0.00 4.04 4.19 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 1085 V 7.37 3.84 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 0.72 0.00 0.00 0.94 0.00 0.00 1086 D 8.07 4.77 0.00 2.89 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 1087 S 7.90 4.57 0.00 3.85 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1088 A 8.06 4.18 0.98 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 0.00 0.00 1089 V 7.38 4.61 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 0.59 0.00 0.00 0.89 0.00 0.00 1090 Y 8.93 5.22 0.00 3.04 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 1091 F 9.74 5.40 0.00 2.94 2.97 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 1092 C 8.27 4.50 0.00 1.72 1.18 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 0.00 0.00 0.00 0.00 1093 A 8.05 4.66 -0.06 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 1094 R 8.87 4.84 0.00 1.91 1.85 0.00 3.02 0.00 0.00 3.27 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.70 0.00 1095 S 9.03 4.94 0.00 4.05 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 1096 G 8.66 4.07 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 0.00 1097 L 8.36 4.33 0.00 1.63 1.73 0.74 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 1098 L 7.69 4.32 0.00 1.49 1.54 0.89 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 1099 R 7.53 3.59 0.00 1.53 1.22 0.00 2.21 0.00 0.00 2.92 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.41 0.00 1100 Y 7.87 4.56 0.00 2.74 2.11 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 1100A A 7.19 4.36 0.91 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 1100B M 8.80 4.85 0.00 1.58 2.06 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.32 0.00 1101 D 8.60 4.83 0.00 2.94 3.10 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 0.00 0.00 0.00 1102 Y 8.10 4.94 0.00 2.95 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 1103 W 9.29 5.10 0.00 3.07 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 1104 G 8.93 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 1105 Q 8.80 4.38 0.00 2.24 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.43 0.00 0.00 0.00 0.00 0.00 2.31 2.31 0.00 1106 G 8.51 3.23 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 1107 T 8.28 4.58 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 1.36 0.00 0.00 1108 S 8.70 4.74 0.00 3.90 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 1109 V 9.11 4.84 2.38 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 0.98 0.00 0.00 1.00 0.00 0.00 1110 T 8.96 4.93 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 1111 V 8.85 4.65 2.11 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 0.74 0.00 0.00 1.03 0.00 0.00 1112 S 9.41 4.71 0.00 3.84 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 1113 S 8.61 4.40 0.00 3.67 3.61 0.00 0.00 0.00 0.00 0.00 0.00 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.