NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1003 S 4.4858 8.1927 115.4151 57.8281 64.7810 174.3822 1004 F 3.8785 8.7988 123.1581 61.0817 39.1447 173.7744 1005 E 3.7952 9.2076 119.0156 59.7892 29.6585 178.8933 1006 Q 3.8838 7.9937 117.3206 58.7967 28.7739 178.5907 1007 A 3.8792 7.7359 121.7033 55.4794 18.3914 179.8098 1008 I 3.1767 7.1002 117.8396 64.4310 37.0296 178.6806 1009 T 3.7820 7.7778 116.7734 66.8739 67.9090 176.3548 1010 Q 3.9437 8.2846 121.5914 58.9166 28.9264 177.9951 1011 L 3.9744 7.9160 121.4477 58.0595 42.1457 178.8156 1012 F 4.6125 8.3868 118.0716 61.1049 38.7835 177.5449 1013 Q 4.0814 8.3067 117.3988 59.3895 28.2658 179.3114 1014 Q 4.0440 7.9485 117.9798 58.2360 28.8817 177.5498 1015 L 4.0711 7.9909 117.7603 53.7470 42.2285 176.5387 1016 S 3.7827 7.6364 114.1739 59.7536 60.8680 171.8983 1017 L 4.6104 7.6164 118.9758 52.4454 43.5816 177.4354 1018 S 4.2536 8.3335 117.2824 58.0927 64.0424 173.8307 1019 I 4.2841 8.1307 122.8409 60.4935 37.2775 175.2967 1020 P 4.5367 0.0000 0.0000 62.8391 31.0160 177.7727 1021 D 4.8931 9.2844 123.5275 55.2192 41.6980 174.2221 1022 T 4.3143 8.1212 115.1097 62.6224 70.5428 172.8081 1023 I 3.8911 8.2397 127.9439 61.2203 37.4236 176.5557 1024 E 4.4670 8.6691 125.4255 54.7002 30.7609 175.0860 1025 P 4.1420 0.0000 0.0000 64.9736 31.5329 176.0527 1026 V 4.4861 7.7129 118.6188 60.9679 33.3622 174.8402 1027 I 4.5266 9.3326 129.9729 59.7117 39.1887 174.9998 1028 G 4.3666 8.8074 114.4872 45.0861 0.0000 173.1774 1029 V 4.7623 8.6595 123.8301 61.0368 35.4564 173.5445 1030 K 4.8674 9.3022 129.7090 54.8465 34.3038 174.9370 1031 V 4.6864 8.9215 127.9071 60.5397 33.6895 175.6996 1032 G 3.7714 8.9326 120.6194 47.0340 0.0000 175.0007 1033 E 3.8944 8.4634 122.1151 56.7606 30.0603 176.2307 1034 F 4.4438 8.0728 120.4135 56.2440 39.0288 174.7013 1035 A 4.4265 8.5482 128.9402 51.7620 18.6966 176.0935 1036 C 4.9383 8.9583 120.1317 58.6886 31.9637 173.0185 1037 H 5.2124 8.4135 117.3195 54.0159 31.7187 173.2609 1038 I 4.8314 8.9408 123.1887 59.8948 40.3909 174.5378 1039 T 4.9505 9.1043 120.0398 61.6306 71.6000 171.9074 1040 E 4.9613 8.0204 126.5360 55.6140 30.2620 175.0869 1041 H 4.5680 8.6578 126.2556 54.9871 33.2944 172.0303 1042 P 4.4544 0.0000 0.0000 61.3335 32.8592 175.2416 1043 V 3.7400 8.0932 117.3769 65.0775 31.5156 176.4072 1044 G 4.0326 10.3696 114.9161 45.4173 0.0000 172.5702 1045 Q 4.9630 8.1631 118.4750 54.0112 33.0879 174.7630 1046 I 4.7045 8.8163 124.6428 60.4127 38.3930 175.3155 1047 L 5.0617 8.9636 131.1230 53.5282 44.8217 174.8185 *1049 F 5.2961 8.2499 114.4840 57.3288 39.6742 173.6151 1050 T 4.9947 9.2307 113.2708 60.9156 71.5821 172.6370 1051 L 4.6985 8.5352 125.2706 52.3205 42.4746 174.8909 1052 P 4.6011 0.0000 0.0000 62.0936 32.4425 175.8169 1053 S 4.7097 8.4600 113.3796 56.6257 64.0763 173.6736 1054 L 4.4785 8.3025 125.3294 53.0288 43.1907 176.0548 1055 D 4.5406 8.4780 121.5962 53.7693 40.8155 176.8152 1056 N 4.7019 8.7495 125.1754 55.9514 38.6945 176.0344 1057 N 4.5794 8.5201 114.3621 54.2334 38.9438 174.9404 1058 D 4.4706 8.2526 120.2896 53.8652 41.5945 176.6665 1059 E 4.3934 8.5036 124.5754 54.5515 32.4196 176.8301 1060 K 3.8637 8.5145 120.4264 60.4079 32.0638 178.8076 1061 E 3.9618 8.0746 119.0154 59.3568 29.2480 179.3324 1062 T 3.8760 7.7568 114.1558 66.5300 68.9854 176.2971 1063 L 4.2267 8.0374 120.8805 57.9772 41.6720 179.6918 1064 L 4.1295 8.0940 118.4987 57.4999 41.5147 179.5670 1065 S 4.0783 7.8051 115.2352 61.8272 62.4559 176.2442 1066 H 4.2318 7.9662 117.3848 58.0147 28.4708 176.4223 1067 N 4.6308 7.8537 116.3903 52.2748 39.0744 175.2278 1068 I 3.6943 6.7081 120.9719 60.4500 38.6820 175.5432 1069 F 4.5109 7.8122 120.3728 56.9709 38.5252 174.6444 1070 S 4.6873 8.1082 115.0096 57.5566 65.5470 173.4157 1071 Q 4.0814 8.6983 117.4980 57.4746 29.0750 175.4114 1072 D 4.7604 7.9814 119.3889 52.2211 41.5434 176.7427 1073 I 3.9744 8.3291 120.3960 62.5863 37.9164 176.4751 1074 L 4.3217 8.2771 120.6354 54.5175 41.9488 176.6810 1075 K 3.8922 7.6927 121.6619 55.8459 32.3478 174.6621 1076 P 4.4874 0.0000 0.0000 62.8257 32.7349 175.3850 1077 I 4.1628 7.7938 122.2216 59.6239 39.0587 174.4581 1078 L 4.8505 8.3948 129.3578 54.2760 43.2247 175.4985 1079 S 4.9359 9.2941 120.1878 56.9963 67.2075 171.9966 1080 W 5.2592 8.7931 128.1974 55.8526 33.6866 174.2557 1081 D 4.5745 8.1626 127.1549 52.4462 41.2848 176.2324 1082 E 4.1499 9.0262 128.0163 59.3720 30.0131 178.3766 1083 V 3.7696 7.9119 117.0358 65.6234 31.8011 177.2962 1084 G 3.4010 8.5412 107.8614 46.1995 0.0000 173.3652 1085 G 3.8986 8.4141 108.2753 46.0689 0.0000 172.7934 1086 H 4.0581 6.2149 112.1364 52.6958 31.9603 171.3018 1087 P 4.8923 0.0000 0.0000 63.1353 32.5074 175.8878 1088 V 4.6276 8.8426 120.5783 61.6335 35.2135 172.9625 1089 L 5.4227 8.8804 130.5135 53.1668 44.1727 175.0189 1090 W 5.7742 8.6624 122.1529 55.7017 32.0003 172.9161 1091 N 5.2963 8.7960 117.5055 52.2823 40.2857 172.9578 1092 R 5.5269 8.6751 116.7352 56.7381 32.9758 173.4507 1093 Q 4.7532 8.3935 121.0217 54.2498 32.3975 171.5708 1094 P 4.8400 0.0000 0.0000 62.3061 31.8429 177.4718 1095 L 3.9414 8.8742 127.4679 57.9604 42.1331 177.2980 1096 N 4.8121 8.1060 113.7108 52.8608 37.4146 175.1268 1097 S 4.6786 7.7863 110.7909 57.9329 64.1720 174.2292 1098 L 4.1260 7.9619 120.5107 55.2166 42.0951 175.8639 1099 D 4.9382 9.1169 121.7162 51.2797 41.6849 177.0565 1100 N 4.6493 8.5383 115.3354 54.9609 38.6539 175.7616 1101 N 4.8948 9.5702 115.7764 53.1061 39.7622 176.8467 1102 S 4.1363 8.2438 116.6195 61.7351 62.8392 176.5340 1103 L 3.9673 7.8272 121.1807 57.7321 41.4895 178.5017 1104 Y 3.9321 8.0597 119.0472 61.2148 38.4514 178.4087 1105 T 3.9310 7.9807 114.9665 66.6294 68.6335 176.0109 1106 Q 4.0999 8.0879 120.5881 59.2858 29.3355 178.0271 1107 L 4.0979 8.1113 121.4589 57.7315 41.9942 178.6894 1108 E 4.1918 7.7570 118.4398 56.2370 29.6661 178.2692 *1110 L 4.1226 7.9066 120.3757 54.5813 44.1746 178.7338 1111 V 3.1497 7.8004 117.6474 65.9479 31.2796 177.9373 1112 Q 4.2501 7.7604 119.5710 58.3970 28.3222 179.1084 1113 G 3.5493 7.9168 104.8893 47.5783 0.0000 175.0312 1114 A 4.0463 7.6579 122.9641 55.0706 18.4476 179.6009 1115 E 4.4432 7.8062 118.3443 59.1542 29.3355 179.7066 1116 R 4.1713 8.1804 116.9842 58.2451 30.1876 178.0017 1117 L 4.3275 7.5637 117.1902 55.8900 42.1212 176.5899 1118 Q 4.1422 8.2238 117.8638 56.9636 30.3676 176.2648 *1127 R 3.9573 7.5768 119.3718 56.1843 31.9753 174.8783 1128 S 4.4314 7.8233 113.5470 56.9248 64.8201 172.8680 1129 F 5.6871 8.4528 123.4561 55.6735 41.2033 174.9678 1130 S 4.7581 9.0221 116.4993 56.7571 66.8055 173.2298 1131 H 4.5854 8.7303 117.6229 56.2429 29.5345 175.2402 1132 H 4.4837 8.5270 118.8475 56.5244 30.1164 173.1102 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 1003 S 8.19 4.49 0.00 4.06 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 1004 F 8.80 3.88 0.00 3.38 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 1005 E 9.21 3.80 0.00 2.11 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 0.00 2.46 2.56 0.00 1006 Q 7.99 3.88 0.00 2.07 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 1007 A 7.74 3.88 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 1008 I 7.10 3.18 1.44 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 -0.36 0.03 0.00 0.00 1009 T 7.78 3.78 4.37 0.00 0.00 0.00 0.00 0.00 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 1010 Q 8.28 3.94 0.00 2.04 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.81 0.00 0.00 0.00 0.00 0.00 2.32 2.33 0.00 1011 L 7.92 3.97 0.00 1.69 1.57 0.93 0.73 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 1012 F 8.39 4.61 0.00 3.19 3.15 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 1013 Q 8.31 4.08 0.00 2.27 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.82 0.00 0.00 0.00 0.00 0.00 2.43 2.68 0.00 1014 Q 7.95 4.04 0.00 2.22 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.92 0.00 0.00 0.00 0.00 0.00 2.33 2.72 0.00 1015 L 7.99 4.07 0.00 1.60 1.31 0.76 0.26 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 1016 S 7.64 3.78 0.00 4.05 3.98 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 1017 L 7.62 4.61 0.00 1.20 0.79 0.58 0.68 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 1018 S 8.33 4.25 0.00 3.95 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 1019 I 8.13 4.28 1.93 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.47 1.01 0.00 0.00 1020 P 0.00 4.54 0.00 2.26 2.05 0.00 3.90 0.00 0.00 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.19 0.00 1021 D 9.28 4.89 0.00 2.87 2.85 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 1022 T 8.12 4.31 4.45 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 0.00 0.00 0.00 1.24 0.00 0.00 1023 I 8.24 3.89 1.93 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 1.34 0.40 1.15 0.00 0.00 1024 E 8.67 4.47 0.00 2.04 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 2.35 2.27 0.00 1025 P 0.00 4.14 0.00 2.15 2.23 0.00 3.67 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 2.07 1.94 0.00 1026 V 7.71 4.49 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 0.91 0.00 0.00 0.97 0.00 0.00 1027 I 9.33 4.53 1.95 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 1.28 0.83 1.04 0.00 0.00 1028 G 8.81 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1029 V 8.66 4.76 2.12 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 1.10 0.00 0.00 1.14 0.00 0.00 1030 K 9.30 4.87 0.00 1.84 1.66 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.48 1.31 7.81 1031 V 8.92 4.69 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 1.04 0.00 0.00 1.18 0.00 0.00 1032 G 8.93 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1033 E 8.46 3.89 0.00 1.76 1.76 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 1.47 1.47 0.00 1034 F 8.07 4.44 0.00 3.21 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 1035 A 8.55 4.43 1.02 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 0.00 0.00 1036 C 8.96 4.94 0.00 2.90 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 1037 H 8.41 5.21 0.00 1.40 2.63 0.00 5.59 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1038 I 8.94 4.83 1.90 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 1.09 0.90 0.95 0.00 0.00 1039 T 9.10 4.95 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 1.33 0.00 0.00 1040 E 8.02 4.96 0.00 1.41 1.54 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 2.27 2.39 0.00 1041 H 8.66 4.57 0.00 3.08 3.12 0.00 6.00 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1042 P 0.00 4.45 0.00 2.19 2.06 0.00 3.70 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.88 0.00 1043 V 8.09 3.74 2.06 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 0.83 0.00 0.00 0.90 0.00 0.00 1044 G 10.37 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 1045 Q 8.16 4.96 0.00 2.17 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.88 6.78 0.00 0.00 0.00 0.00 0.00 2.27 2.45 0.00 1046 I 8.82 4.70 1.95 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.08 1.00 0.00 0.00 1047 L 8.96 5.06 0.00 1.97 1.82 1.06 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 *1049 F 8.25 5.30 0.00 3.46 3.36 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 1050 T 9.23 4.99 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 1.26 0.00 0.00 1051 L 8.54 4.70 0.00 1.57 1.57 1.08 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 1052 P 0.00 4.60 0.00 2.23 2.12 0.00 3.88 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.00 0.00 1053 S 8.46 4.71 0.00 4.03 3.95 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 1054 L 8.30 4.48 0.00 1.77 1.71 1.12 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 1055 D 8.48 4.54 0.00 2.71 2.80 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 0.00 0.00 0.00 0.00 1056 N 8.75 4.70 0.00 2.78 2.90 0.00 0.00 7.22 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 1057 N 8.52 4.58 0.00 2.87 2.87 0.00 0.00 7.02 8.91 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 1058 D 8.25 4.47 0.00 2.80 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 1059 E 8.50 4.39 0.00 1.99 1.82 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 2.33 2.29 0.00 1060 K 8.51 3.86 0.00 1.96 2.05 0.00 1.55 0.00 0.00 1.80 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.48 7.81 1061 E 8.07 3.96 0.00 2.07 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 2.39 2.45 0.00 1062 T 7.76 3.88 4.39 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 1.23 0.00 0.00 1063 L 8.04 4.23 0.00 1.86 1.76 0.95 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 1064 L 8.09 4.13 0.00 1.75 1.72 0.95 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 1065 S 7.81 4.08 0.00 4.01 3.83 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 1066 H 7.97 4.23 0.00 3.29 3.35 0.00 5.84 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1067 N 7.85 4.63 0.00 2.86 2.83 0.00 0.00 6.92 7.03 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 1068 I 6.71 3.69 1.71 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.75 0.00 0.00 1069 F 7.81 4.51 0.00 3.08 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 1070 S 8.11 4.69 0.00 3.95 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 1071 Q 8.70 4.08 0.00 2.09 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.85 0.00 0.00 0.00 0.00 0.00 2.40 2.37 0.00 1072 D 7.98 4.76 0.00 2.69 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 1073 I 8.33 3.97 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 1.42 0.72 0.92 0.00 0.00 1074 L 8.28 4.32 0.00 1.74 1.74 0.96 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 1075 K 7.69 3.89 0.00 1.87 1.69 0.00 1.78 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.35 7.81 1076 P 0.00 4.49 0.00 2.01 1.95 0.00 3.73 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.92 0.00 1077 I 7.79 4.16 0.56 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.25 0.46 0.78 0.00 0.00 1078 L 8.39 4.85 0.00 1.62 1.59 1.00 0.93 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 1079 S 9.29 4.94 0.00 4.07 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 1080 W 8.79 5.26 0.00 3.42 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 1081 D 8.16 4.57 0.00 2.51 2.22 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 1082 E 9.03 4.15 0.00 2.07 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 2.35 2.44 0.00 1083 V 7.91 3.77 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 0.80 0.00 0.00 0.91 0.00 0.00 1084 G 8.54 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.41 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 1086 H 6.21 4.06 0.00 2.87 3.12 0.00 5.46 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1087 P 0.00 4.89 0.00 2.18 2.32 0.00 3.52 0.00 0.00 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.09 0.00 1088 V 8.84 4.63 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 1.03 0.00 0.00 0.88 0.00 0.00 1089 L 8.88 5.42 0.00 1.87 1.56 0.88 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 1090 W 8.66 5.77 0.00 3.60 3.21 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 0.00 1091 N 8.80 5.30 0.00 2.64 2.72 0.00 0.00 5.81 7.66 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 1092 R 8.68 5.53 0.00 2.23 2.10 0.00 3.26 0.00 0.00 4.01 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 1093 Q 8.39 4.75 0.00 2.15 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.88 0.00 0.00 0.00 0.00 0.00 2.48 2.43 0.00 1094 P 0.00 4.84 0.00 2.12 2.04 0.00 3.64 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.11 0.00 1095 L 8.87 3.94 0.00 1.64 1.90 0.97 1.31 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 1096 N 8.11 4.81 0.00 2.86 2.91 0.00 0.00 5.78 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 1097 S 7.79 4.68 0.00 3.89 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 1098 L 7.96 4.13 0.00 1.65 1.64 0.95 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 1099 D 9.12 4.94 0.00 2.74 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1100 N 8.54 4.65 0.00 2.70 2.89 0.00 0.00 7.15 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 1101 N 9.57 4.89 0.00 2.72 2.81 0.00 0.00 6.85 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 1102 S 8.24 4.14 0.00 3.99 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 1103 L 7.83 3.97 0.00 1.66 1.67 0.83 0.79 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 1104 Y 8.06 3.93 0.00 3.10 3.06 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 1105 T 7.98 3.93 4.42 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 1.25 0.00 0.00 1106 Q 8.09 4.10 0.00 2.13 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.98 0.00 0.00 0.00 0.00 0.00 2.45 2.42 0.00 1107 L 8.11 4.10 0.00 1.70 1.63 0.89 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 1108 E 7.76 4.19 0.00 1.97 1.96 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 2.32 2.34 0.00 *1110 L 7.91 4.12 0.00 1.77 1.83 1.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 1111 V 7.80 3.15 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 0.81 0.00 0.00 0.97 0.00 0.00 1112 Q 7.76 4.25 0.00 2.13 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.35 2.47 0.00 1113 G 7.92 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 0.00 0.00 0.00 1114 A 7.66 4.05 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1115 E 7.81 4.44 0.00 2.14 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 2.57 2.11 0.00 1116 R 8.18 4.17 0.00 1.91 2.05 0.00 3.16 0.00 0.00 3.21 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.89 0.00 1117 L 7.56 4.33 0.00 1.79 1.70 0.88 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 1118 Q 8.22 4.14 0.00 2.18 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.44 0.00 0.00 0.00 0.00 0.00 2.39 2.59 0.00 *1127 R 7.58 3.96 0.00 0.79 1.53 0.00 3.34 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.59 0.00 1128 S 7.82 4.43 0.00 3.77 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 1129 F 8.45 5.69 0.00 2.94 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 1130 S 9.02 4.76 0.00 3.85 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 1131 H 8.73 4.59 0.00 3.00 3.25 0.00 5.84 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1132 H 8.53 4.48 0.00 3.04 3.19 0.00 5.76 0.00 0.00 0.00 0.00 6.91 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.