NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1006 E 4.2623 8.4401 118.7965 55.9871 30.9480 175.2655 1007 A 4.0055 8.3516 124.8552 50.4817 19.5830 175.2279 1008 Y 4.1295 9.3473 123.0802 57.9721 40.1818 175.1348 1009 F 4.5428 8.3767 127.0283 61.2591 38.9636 177.5695 1010 Q 3.9223 6.8819 117.9303 58.8099 28.5863 177.0213 1011 N 4.7469 7.6514 115.0264 54.2658 38.8923 175.9192 1012 Q 4.4624 8.2408 119.9743 55.7841 29.5966 177.4560 1013 V 3.5410 7.2328 119.4410 66.0402 31.5528 177.3600 1014 E 4.2172 8.0936 115.8224 57.6122 29.6887 176.9921 1015 T 4.4279 7.6595 108.3305 60.9523 69.0140 173.5291 1016 A 4.8377 7.8237 125.6579 50.7461 20.6684 178.3972 1017 T 4.0040 8.8257 114.7255 61.4546 70.4307 173.5549 1018 P 4.1393 0.0000 0.0000 65.2817 31.2081 178.7744 1019 L 3.8689 7.6876 118.8416 57.9395 42.1770 178.3096 1020 E 3.9469 8.1935 118.4659 59.6819 29.3292 179.5029 1021 Q 3.9272 8.1685 118.0433 58.8705 28.6862 178.8223 1022 I 3.6757 7.2800 121.0246 64.2243 37.0757 178.5712 1023 I 3.6986 7.7593 120.6864 64.2971 36.9597 178.2346 1024 L 3.8142 8.0674 120.1545 57.9692 41.3696 179.6866 1025 L 3.9102 7.7961 118.5630 57.9346 41.4722 179.2785 1026 Y 3.8575 7.9971 116.6958 61.0460 37.7883 177.9617 1027 D 4.3100 8.4584 120.2532 57.3841 40.8643 179.1256 1028 K 4.0433 7.8533 119.5256 59.4439 32.2703 178.7342 1029 A 3.9688 8.1434 121.3411 55.2478 18.2542 179.7448 1030 I 3.7170 8.4782 118.6627 64.3337 37.1993 178.2059 1031 E 3.9812 8.4218 120.2451 59.6786 29.5139 178.6992 1032 C 4.5541 8.1944 118.0130 62.2049 28.1672 175.9661 1033 L 3.9319 8.1219 121.9617 58.1749 41.7187 178.7465 1034 E 4.0231 8.8217 118.9284 59.4638 29.4927 179.4640 1035 R 3.9323 8.0028 118.4850 59.3060 29.9769 178.3327 1036 A 4.0709 7.9314 119.6064 55.2924 18.4601 179.3923 1037 I 4.0101 8.0216 118.3507 64.5556 36.9625 178.2691 1038 E 4.0773 8.3233 119.5565 58.2855 29.7326 177.8999 1039 I 4.4489 7.6061 110.5194 60.7750 38.0973 176.6060 1040 Y 3.8177 7.9678 124.3790 61.1899 38.6953 177.3896 1041 D 4.7314 8.2405 116.0166 55.3247 41.4147 176.4821 1042 Q 4.5126 7.8853 118.1300 55.5734 29.2297 177.2072 1043 V 3.6981 7.3864 117.5787 64.4852 31.6255 176.6089 1044 N 4.4464 7.8926 115.7045 56.0514 38.9296 175.7605 1045 E 4.1389 8.2571 119.6142 55.7285 31.1294 177.5223 1046 L 3.9540 8.5963 123.8691 58.1501 41.8117 179.4362 1047 E 4.0380 8.0557 118.4593 58.9718 29.6383 178.7201 1048 K 4.1363 7.9267 118.2868 59.3265 32.1866 179.1678 1049 R 3.8824 8.0522 119.1664 58.9892 29.9344 178.4542 1050 K 3.8931 8.0017 119.2662 59.4530 32.2966 178.0549 1051 E 4.0962 8.7056 119.8833 59.5765 29.4609 178.7285 1052 F 4.0407 8.5273 120.5342 61.3803 39.4078 177.3134 1053 V 3.6197 7.9138 117.5150 65.8386 31.3107 177.6863 1054 E 3.9398 8.2375 118.4451 59.6175 29.1936 179.2717 1055 N 4.2879 8.0976 116.2274 56.3490 38.5797 177.5325 1056 I 3.5732 7.5150 121.2136 64.4440 37.0841 178.1344 1057 D 4.3503 8.2312 119.7725 57.4627 40.5837 178.9127 1058 R 3.9079 7.9797 119.1562 59.3438 29.9732 178.7853 1059 V 3.5002 7.8598 118.1515 65.9180 31.4652 177.3268 1060 Y 3.8663 8.3248 119.6457 60.9288 38.7405 177.8645 1061 D 4.2799 8.5770 120.1260 57.3660 40.7952 179.0579 1062 I 3.5527 7.8756 120.4239 64.3158 37.1626 178.5181 1063 I 3.1108 7.5679 120.8295 64.2313 36.7502 178.4573 1064 S 3.8217 8.2302 113.5024 60.2937 61.7887 176.0491 1065 A 3.4706 6.9150 122.5719 54.9692 18.4510 179.1101 1066 L 3.7435 7.4188 117.7687 57.5983 41.5341 179.7852 1067 K 4.1248 7.4296 119.8508 59.4092 31.9932 178.8426 1068 S 4.2668 7.1827 112.5657 60.2243 63.0330 175.2438 1069 F 5.0035 7.1839 119.7977 56.5391 39.2140 175.6247 1070 L 4.0237 7.3451 120.5873 54.6378 41.8719 176.3960 1071 D 4.6564 8.5598 124.1220 53.3810 40.4000 176.2022 1072 H 4.3650 8.6535 125.4182 59.1167 28.6524 176.2605 1073 E 3.8992 8.4964 117.9519 59.8459 29.2948 178.2582 1074 K 4.4225 8.7629 120.8413 57.3430 32.9946 178.8584 1075 G 3.7082 8.0222 106.4449 43.2991 0.0000 176.4786 1076 K 4.0499 8.4416 120.2417 58.0984 30.5238 177.4294 1077 E 4.1600 9.1803 127.6780 58.9862 30.5540 176.4904 1078 I 3.5973 7.7672 119.2628 64.6937 37.1044 177.5332 1079 A 4.0061 8.1589 120.5685 55.4682 17.8554 179.4741 1080 K 4.0042 7.3283 116.2507 59.5802 32.5579 178.6241 1081 N 4.4143 8.9453 117.3119 56.4620 38.4850 177.7552 1082 L 3.3647 7.7231 120.1591 57.6992 41.7629 179.3498 1083 D 4.3924 8.4813 118.3985 57.5277 41.1550 178.5328 1084 T 3.9068 8.1988 116.8243 66.6055 68.5535 176.8865 1085 I 3.7057 7.5288 121.2056 64.6902 37.1215 178.0183 1086 Y 4.4445 7.9258 117.6598 61.3736 37.5738 178.5776 1087 T 3.9153 8.1272 116.8399 66.4694 68.5203 176.8242 1088 I 3.7026 7.6753 121.2324 64.4646 37.1106 178.1037 1089 I 3.7100 7.7700 120.5363 64.8518 36.9151 178.3148 1090 L 4.0416 8.6117 119.6044 58.0561 41.1919 179.5303 1091 N 4.4650 8.3507 115.8019 56.3815 38.7902 177.3132 1092 T 4.0725 8.4604 117.6309 66.8328 68.3998 176.6954 1093 L 4.1184 8.1451 119.5698 57.5106 41.7251 179.1879 1094 V 4.1765 7.4471 110.1152 60.8128 32.2065 175.8222 1095 K 3.9353 8.4621 119.3212 57.9411 31.5974 179.4367 1096 V 3.3440 7.1455 118.2139 63.5011 32.0166 177.1658 1097 D 4.9772 7.8228 115.5936 52.3876 39.7778 175.6453 1098 K 4.1726 7.7398 118.6942 58.4119 32.8441 176.3712 1099 T 5.1116 9.1219 112.3581 58.7011 72.6439 175.3419 1100 K 3.1773 7.8028 122.3040 59.4977 32.1738 178.6777 1101 E 3.9228 7.9486 117.2536 59.3165 29.5354 178.6030 1102 E 3.9681 8.1019 119.5061 59.4393 29.6094 179.4583 1103 L 4.0702 7.6934 118.8827 57.8820 41.6556 179.5362 1104 Q 4.0543 8.2615 118.0490 58.7166 28.4791 179.1212 1105 K 4.0156 7.8751 119.0266 59.2382 32.2880 179.0260 1106 I 3.6881 7.7836 120.1296 64.6859 36.9578 178.0481 1107 L 3.9999 7.9707 120.6904 58.2050 42.0873 178.7724 1108 E 3.9868 8.1560 118.5724 59.4677 29.2980 179.4352 1109 I 3.7180 8.0640 119.8460 64.5043 37.2768 178.2306 1110 L 4.3025 8.4132 120.1190 58.3014 41.2795 180.0226 1111 K 4.1301 8.5613 118.3425 59.1663 31.9790 179.3640 1112 D 4.3400 7.9941 119.1264 57.3265 40.8924 178.6010 1113 L 3.8001 8.2475 119.8757 57.8711 41.5458 179.6836 1114 R 3.5770 8.1173 118.5692 59.0882 29.9439 178.2357 1115 E 3.8710 7.8711 118.9996 59.1010 29.5601 177.8407 1116 A 3.7131 7.7063 120.1901 55.3354 18.2527 179.2389 1117 W 4.6693 7.6978 115.7145 60.3195 29.3851 178.7704 1118 E 4.0399 8.5274 118.2057 59.3684 28.9387 179.3954 1119 E 3.9257 8.2493 118.6744 59.5058 29.3696 179.4077 1120 V 3.6300 7.8825 117.2637 65.9645 31.7437 177.6797 1121 K 4.1422 8.0482 119.6907 59.1751 31.8868 178.7334 1122 K 4.1815 7.7715 117.0142 59.0163 32.9247 178.7293 1123 K 4.0857 7.9063 120.8146 59.0867 32.0495 177.8882 *1124 V 3.9318 7.2975 120.9842 60.8992 32.3397 180.6796 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 1006 E 8.44 4.26 0.00 2.10 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 2.14 2.20 0.00 1007 A 8.35 4.01 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 1008 Y 9.35 4.13 0.00 2.90 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 1009 F 8.38 4.54 0.00 2.91 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 1010 Q 6.88 3.92 0.00 1.52 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 7.01 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 1011 N 7.65 4.75 0.00 3.04 2.90 0.00 0.00 6.92 7.72 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 1012 Q 8.24 4.46 0.00 2.21 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.75 0.00 0.00 0.00 0.00 0.00 2.34 2.55 0.00 1013 V 7.23 3.54 2.05 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 1.00 0.00 0.00 0.94 0.00 0.00 1014 E 8.09 4.22 0.00 1.99 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 2.23 0.00 1015 T 7.66 4.43 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 1016 A 7.82 4.84 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 1017 T 8.83 4.00 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 1.27 0.00 0.00 1018 P 0.00 4.14 0.00 2.09 2.03 0.00 3.54 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 2.05 2.07 0.00 1019 L 7.69 3.87 0.00 1.72 1.62 0.91 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 1020 E 8.19 3.95 0.00 2.15 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 2.32 2.35 0.00 1021 Q 8.17 3.93 0.00 2.15 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.81 0.00 0.00 0.00 0.00 0.00 2.31 2.47 0.00 1022 I 7.28 3.68 1.61 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.43 0.44 0.00 0.00 1023 I 7.76 3.70 1.96 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 1.53 0.61 0.88 0.00 0.00 1024 L 8.07 3.81 0.00 1.72 1.55 0.88 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 1025 L 7.80 3.91 0.00 1.82 1.59 1.02 0.87 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 1026 Y 8.00 3.86 0.00 3.19 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 1027 D 8.46 4.31 0.00 2.19 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 0.00 0.00 0.00 1028 K 7.85 4.04 0.00 1.81 1.87 0.00 1.70 0.00 0.00 1.97 0.00 0.00 3.15 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.53 7.81 1029 A 8.14 3.97 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 1030 I 8.48 3.72 1.99 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.82 0.97 0.00 0.00 1031 E 8.42 3.98 0.00 2.29 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 0.00 2.40 2.44 0.00 1032 C 8.19 4.55 0.00 3.02 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 1033 L 8.12 3.93 0.00 1.85 1.85 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 1034 E 8.82 4.02 0.00 2.20 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 2.37 2.48 0.00 1035 R 8.00 3.93 0.00 1.98 2.08 0.00 3.33 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.73 0.00 1036 A 7.93 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1037 I 8.02 4.01 2.08 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 1.45 0.98 0.94 0.00 0.00 1038 E 8.32 4.08 0.00 2.15 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 2.38 2.37 0.00 1039 I 7.61 4.45 1.96 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.96 0.98 0.00 0.00 1040 Y 7.97 3.82 0.00 3.32 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 1041 D 8.24 4.73 0.00 2.78 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 1042 Q 7.89 4.51 0.00 2.22 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 6.86 0.00 0.00 0.00 0.00 0.00 2.29 2.29 0.00 1043 V 7.39 3.70 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 0.48 0.00 0.00 0.44 0.00 0.00 1044 N 7.89 4.45 0.00 2.71 2.83 0.00 0.00 7.00 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 1045 E 8.26 4.14 0.00 1.97 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 0.00 2.39 2.48 0.00 1046 L 8.60 3.95 0.00 1.68 1.73 0.91 0.84 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 1047 E 8.06 4.04 0.00 2.08 1.94 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 2.38 2.46 0.00 1048 K 7.93 4.14 0.00 2.05 1.86 0.00 1.77 0.00 0.00 1.78 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.54 1.44 7.81 1049 R 8.05 3.88 0.00 1.88 2.09 0.00 3.04 0.00 0.00 3.06 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 1050 K 8.00 3.89 0.00 2.14 1.89 0.00 1.72 0.00 0.00 1.58 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.46 7.81 1051 E 8.71 4.10 0.00 2.13 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 0.00 2.35 2.37 0.00 1052 F 8.53 4.04 0.00 3.22 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 1053 V 7.91 3.62 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 1.10 0.00 0.00 1.13 0.00 0.00 1054 E 8.24 3.94 0.00 2.36 1.99 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 2.34 2.37 0.00 1055 N 8.10 4.29 0.00 2.84 2.91 0.00 0.00 7.07 7.27 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 1056 I 7.52 3.57 1.70 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.62 0.88 0.00 0.00 1057 D 8.23 4.35 0.00 2.89 2.71 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 1058 R 7.98 3.91 0.00 1.94 1.91 0.00 3.14 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 1059 V 7.86 3.50 2.19 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 0.99 0.00 0.00 0.99 0.00 0.00 1060 Y 8.32 3.87 0.00 3.09 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 1061 D 8.58 4.28 0.00 2.85 2.67 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 1062 I 7.88 3.55 1.89 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.74 0.65 0.00 0.00 1063 I 7.57 3.11 1.65 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.68 0.63 0.00 0.00 1064 S 8.23 3.82 0.00 3.28 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 1065 A 6.92 3.47 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 1066 L 7.42 3.74 0.00 0.99 1.17 0.21 0.54 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 1067 K 7.43 4.12 0.00 1.81 1.64 0.00 1.66 0.00 0.00 1.65 0.00 0.00 3.01 0.00 0.00 3.33 0.00 0.00 0.00 0.00 1.50 1.62 7.81 1068 S 7.18 4.27 0.00 3.94 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 1069 F 7.18 5.00 0.00 3.09 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 1070 L 7.35 4.02 0.00 1.78 1.49 1.16 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 1071 D 8.56 4.66 0.00 2.77 2.60 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 0.00 0.00 0.00 0.00 1072 H 8.65 4.36 0.00 3.31 3.36 0.00 5.90 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1073 E 8.50 3.90 0.00 2.17 1.95 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 2.35 2.46 0.00 1074 K 8.76 4.42 0.00 1.87 1.86 0.00 1.70 0.00 0.00 1.72 0.00 0.00 3.08 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.61 7.81 1075 G 8.02 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 1076 K 8.44 4.05 0.00 2.03 1.26 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.34 1.41 7.81 1077 E 9.18 4.16 0.00 2.03 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 2.32 2.44 0.00 1078 I 7.77 3.60 2.03 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 1.53 0.88 0.92 0.00 0.00 1079 A 8.16 4.01 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 1080 K 7.33 4.00 0.00 2.04 1.93 0.00 1.82 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.50 7.81 1081 N 8.95 4.41 0.00 2.68 2.78 0.00 0.00 6.99 6.71 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 1082 L 7.72 3.36 0.00 1.78 1.42 1.22 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 1083 D 8.48 4.39 0.00 2.90 2.87 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 1084 T 8.20 3.91 4.38 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 1.20 0.00 0.00 1085 I 7.53 3.71 1.64 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.02 0.91 0.00 0.00 1086 Y 7.93 4.44 0.00 2.95 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 1087 T 8.13 3.92 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 1088 I 7.68 3.70 2.01 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 1.54 0.68 0.94 0.00 0.00 1089 I 7.77 3.71 2.10 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.86 0.92 0.00 0.00 1090 L 8.61 4.04 0.00 1.79 1.77 0.70 0.13 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 1091 N 8.35 4.46 0.00 2.94 2.92 0.00 0.00 7.08 8.40 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 1092 T 8.46 4.07 4.43 0.00 0.00 0.00 0.00 0.00 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 1093 L 8.15 4.12 0.00 1.96 1.86 1.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 1094 V 7.45 4.18 2.05 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 0.58 0.00 0.00 1.08 0.00 0.00 1095 K 8.46 3.94 0.00 2.13 1.94 0.00 1.73 0.00 0.00 1.69 0.00 0.00 2.90 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.47 7.81 1096 V 7.15 3.34 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 0.71 0.00 0.00 0.94 0.00 0.00 1097 D 7.82 4.98 0.00 2.76 2.71 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 1098 K 7.74 4.17 0.00 2.02 2.11 0.00 1.82 0.00 0.00 1.90 0.00 0.00 3.04 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.81 1.67 7.81 1099 T 9.12 5.11 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 1.30 0.00 0.00 1100 K 7.80 3.18 0.00 0.79 1.47 0.00 1.57 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.29 1.08 7.81 1101 E 7.95 3.92 0.00 2.16 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 0.00 2.34 2.33 0.00 1102 E 8.10 3.97 0.00 2.28 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 0.00 2.36 2.38 0.00 1103 L 7.69 4.07 0.00 1.83 1.76 1.23 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 1104 Q 8.26 4.05 0.00 2.21 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.82 0.00 0.00 0.00 0.00 0.00 2.37 2.58 0.00 1105 K 7.88 4.02 0.00 1.98 1.85 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.65 7.81 1106 I 7.78 3.69 2.06 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.83 0.95 0.00 0.00 1107 L 7.97 4.00 0.00 1.88 1.86 0.96 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 1108 E 8.16 3.99 0.00 2.39 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 2.34 2.37 0.00 1109 I 8.06 3.72 2.11 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 0.95 1.00 0.00 0.00 1110 L 8.41 4.30 0.00 2.05 1.92 1.05 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 1111 K 8.56 4.13 0.00 1.82 1.89 0.00 1.69 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.52 1.73 7.81 1112 D 7.99 4.34 0.00 2.89 2.67 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 1113 L 8.25 3.80 0.00 2.08 1.83 0.86 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 1114 R 8.12 3.58 0.00 1.95 1.97 0.00 3.11 0.00 0.00 3.32 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.66 0.00 1115 E 7.87 3.87 0.00 2.19 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 2.41 2.30 0.00 1116 A 7.71 3.71 0.97 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 1117 W 7.70 4.67 0.00 3.35 3.09 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 1118 E 8.53 4.04 0.00 2.17 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 0.00 2.41 2.55 0.00 1119 E 8.25 3.93 0.00 2.17 1.95 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 2.30 2.29 0.00 1120 V 7.88 3.63 2.42 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 0.91 0.00 0.00 0.94 0.00 0.00 1121 K 8.05 4.14 0.00 2.07 1.95 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.61 7.81 1122 K 7.77 4.18 0.00 1.97 1.93 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.60 1.68 7.81 1123 K 7.91 4.09 0.00 1.93 1.91 0.00 1.74 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.54 1.58 7.81 *1124 V 7.30 3.93 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 0.63 0.00 0.00 1.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.