NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1001 S 4.8023 8.0932 114.8194 57.6940 64.5383 174.2209 1002 L 3.8364 8.2496 120.2911 57.3878 41.0296 179.4242 1003 F 4.2023 8.5951 119.3021 60.6268 39.2295 177.2286 1004 E 4.1226 8.1510 117.7418 59.2213 29.1991 178.9691 1005 L 4.0866 8.1227 120.5275 58.2185 42.1618 179.2658 1006 G 3.6371 8.4129 105.9625 47.6730 0.0000 175.5072 1007 K 4.1369 8.2126 122.0749 59.5958 32.1791 178.7646 1008 M 4.1292 8.2234 120.4612 57.8426 31.7684 178.7698 1009 I 3.4299 7.8439 119.9739 64.0254 37.1774 178.2777 1010 W 4.2641 8.3961 129.2324 60.6013 30.6295 177.9689 1011 Q 2.9506 8.1571 118.3064 58.6774 27.6798 178.7645 1012 E 4.0137 7.7774 118.7709 58.5237 29.6565 178.3635 1013 T 4.3626 7.8514 107.8926 60.5530 70.2818 175.8599 1014 G 3.6998 7.9016 108.5562 45.3869 0.0000 173.3479 1015 K 4.4127 7.6577 119.1679 54.3817 33.6355 176.1785 1016 N 4.4549 8.6460 121.4681 53.3603 39.4091 173.9041 1017 P 4.5322 0.0000 0.0000 65.6839 32.1174 178.2569 1018 V 3.8536 7.9919 117.5768 64.5325 31.8517 177.9969 1019 K 4.0219 8.7260 121.3067 59.2356 32.2598 177.4153 1020 N 4.6081 7.9780 114.9766 54.8045 38.7688 176.4757 *1022 Y 5.3096 7.2204 112.5508 57.5087 39.7488 176.0771 1023 G 3.9268 8.4061 110.6756 47.9758 0.0000 175.8583 1024 L 5.0178 7.8462 117.6487 54.9037 44.1661 174.6870 1025 Y 4.6926 7.4564 117.9658 57.7529 39.7630 176.6195 1026 G 3.6489 7.8893 115.7385 46.6051 0.0000 172.7350 1027 C 4.6653 9.1122 117.0447 57.5521 40.7804 173.8835 1028 N 4.9847 8.4171 113.9934 51.3889 39.6335 173.7352 1029 C 4.7586 8.4638 117.3610 57.0769 42.2085 172.4887 1030 G 4.1234 8.5731 112.2067 45.4279 0.0000 175.6338 1031 V 3.6385 8.6702 118.2148 62.3449 31.8559 176.6981 1032 G 3.9224 8.8473 109.5716 44.8566 0.0000 173.6192 1033 G 4.1442 8.1804 107.7711 45.5888 0.0000 173.1448 1034 R 4.9105 8.1525 122.9664 54.9026 32.5178 174.7785 1035 G 4.2102 8.7672 106.0871 45.2666 0.0000 172.8944 1036 E 4.1375 9.0349 120.7129 56.1086 29.5942 176.2232 1037 P 4.6406 0.0000 0.0000 62.6010 31.7329 176.7216 1038 L 4.0518 8.7477 122.2521 56.8511 42.2823 176.0168 1039 D 4.4907 7.3844 115.5463 51.6570 41.9669 175.9806 1040 A 3.9902 8.5300 119.9231 55.7794 18.2538 179.6353 1041 T 3.8414 8.0491 113.8365 67.0937 68.5225 176.0878 1042 D 4.5398 9.0059 120.0307 57.3809 41.1425 178.3830 1043 R 3.9508 8.3382 118.8605 59.3658 30.0399 178.1217 1044 C 4.3018 8.3770 116.3006 60.5925 40.8277 175.7508 1045 C 3.8282 8.1725 117.4300 59.5649 40.7825 175.8884 1046 F 3.9303 8.4261 122.4051 61.3808 38.9564 177.2468 1047 V 3.6560 8.2212 118.0854 66.3235 31.2748 177.4436 1048 H 3.7704 8.0225 117.7847 59.0900 29.3522 177.4543 1049 K 3.6166 7.3902 118.9646 59.4680 32.1036 178.3762 1050 C 4.2680 8.0491 116.9491 60.0005 39.8215 175.2605 1051 C 4.1496 7.9681 119.6041 59.9307 42.8105 175.0929 1052 Y 4.2108 7.7912 117.7418 60.4692 36.8024 178.4627 1053 K 3.9258 8.0699 120.1104 58.8065 31.8817 178.5024 *1057 K 4.3569 7.7331 115.1512 56.2323 34.2248 176.4940 1058 L 4.3196 7.6295 120.8949 54.2433 39.8990 176.2087 1059 T 4.2038 8.0447 112.7425 62.6670 69.7324 176.1725 1060 D 4.9254 7.7443 120.3091 53.5234 41.6687 173.7983 1061 C 4.5584 7.5934 112.9340 54.7427 45.1317 172.2867 *1067 D 4.6711 8.5827 118.1982 53.8942 40.8085 176.1254 1068 S 3.8788 8.2543 122.2580 60.6759 63.4977 176.4677 1069 K 3.9708 8.4483 122.6029 58.2106 32.2640 178.2599 1070 K 4.3271 8.0399 115.7831 57.3043 33.6625 176.4449 1071 D 4.6462 8.0008 119.0235 53.6346 41.3977 176.5358 1072 R 4.5704 8.4419 123.2530 56.0492 31.1163 175.0650 1073 Y 4.9709 7.9156 117.1484 55.7082 41.2759 173.9695 1074 S 4.9733 8.7759 115.5932 57.4236 63.5887 172.4822 1075 Y 5.2490 8.3817 123.3930 56.0538 41.2055 173.7440 1076 K 4.5393 9.2921 118.8136 54.2968 36.0325 175.4370 1077 W 5.4458 8.8034 133.8937 56.0376 31.9309 175.2555 1078 K 4.2178 8.6975 128.7526 56.1474 34.8959 175.6512 1079 N 3.9780 9.2099 123.2299 54.4389 36.0417 174.4375 1080 K 2.7130 7.3632 111.1845 56.6635 29.9531 175.4913 1081 A 4.7549 6.9633 120.7746 50.2435 21.6414 175.8778 1082 I 5.0379 8.4782 121.8029 60.2648 38.7350 175.4773 1083 V 4.4080 9.0298 127.6568 60.9847 33.6105 174.0230 1084 C 4.6113 8.8682 126.6128 57.3885 41.1665 173.6525 *1086 G 4.0485 8.2806 109.2335 46.4355 0.0000 173.4156 1087 K 4.4530 8.7536 116.0540 55.0742 30.7720 175.5357 1088 N 5.0506 7.8160 119.0254 51.0211 41.4974 175.5902 1089 Q 4.2536 8.2559 118.6720 55.0701 30.8546 175.8443 1090 P 4.2203 0.0000 0.0000 66.2019 31.4446 179.6462 1091 C 4.5839 8.0185 117.9106 59.4366 43.5424 175.3219 1092 M 3.9598 7.9629 119.9537 58.2325 31.5023 178.3505 1093 Q 3.8172 8.3738 120.1543 59.0004 28.6928 177.9137 1094 E 3.9025 8.1412 119.6951 59.6155 29.5159 179.0054 1095 M 4.0610 8.0225 118.0061 58.7978 32.2766 177.2289 1096 C 3.4822 7.7160 118.7125 59.7305 39.7979 175.5652 1097 E 3.8914 8.3337 120.1259 59.2928 29.0586 178.6844 1098 C 4.2964 8.4527 116.9810 60.1470 41.1246 175.8896 1099 D 4.4814 8.3660 120.4416 57.1674 40.4612 178.5952 1100 K 3.8111 8.4577 120.3218 59.6412 32.1410 178.5855 1101 A 4.0310 7.9654 120.8593 55.0571 18.1687 179.3912 1102 F 4.2459 8.2277 118.6937 61.4639 39.4849 177.2003 1103 A 3.4786 8.0437 120.4920 55.0209 18.0421 179.6288 1104 I 3.5916 7.7148 118.2449 64.6070 36.9718 177.6961 1105 C 4.1876 8.1115 118.1757 59.7651 37.8892 175.3068 1106 L 3.9035 7.8452 120.6413 57.6711 41.2288 179.4645 1107 R 3.8174 7.8065 118.5796 59.4853 29.8383 178.1792 1108 E 4.0651 8.2712 117.7719 58.3253 29.7419 176.9957 1109 N 5.1277 7.5622 114.5842 52.8780 39.4298 176.4471 1110 L 4.1365 7.9070 122.1854 57.8881 41.7218 178.9429 1111 D 4.6084 8.1512 116.2075 55.0380 39.5540 176.6185 1112 T 4.5280 7.7936 109.0000 61.1985 69.2477 173.4000 1113 Y 3.9130 7.9998 124.5891 58.3123 39.2110 174.4411 1114 N 4.7925 8.7082 126.3048 51.2812 40.1663 174.9813 1115 K 3.9951 8.6779 128.2084 59.4252 32.5070 178.8029 1116 S 4.1563 7.7475 112.1676 60.6717 63.0886 174.8597 1117 F 4.5390 7.6723 118.8725 57.9917 39.2926 177.6041 1118 R 3.7619 7.5999 121.8505 58.8842 29.7582 175.2546 1119 Y 4.9781 7.4609 116.9950 56.2834 37.9827 173.5519 1120 H 4.8655 8.5438 123.4345 53.8246 32.0840 175.6769 1121 L 4.2702 7.7234 125.8452 54.0481 39.7716 177.5237 1122 K 4.0294 8.3966 123.4759 58.7718 32.4448 177.8342 1123 P 4.3004 0.0000 0.0000 64.9827 31.3062 177.3048 1124 S 4.3297 7.8158 111.4426 59.6678 63.0545 173.9232 1125 C 4.4545 7.9999 119.8466 57.0129 39.5472 172.8387 *1128 K 4.3625 8.3416 119.2801 55.8933 33.5640 175.2695 1129 K 4.2810 8.6405 125.1112 56.8389 32.6286 176.4899 1130 T 4.1232 8.6390 121.7978 62.4003 67.9772 174.0744 1131 S 4.5679 8.5082 121.9322 58.3306 63.6032 173.5017 1132 E 4.4365 8.1128 123.1486 54.5131 30.1260 175.9012 1133 Q 4.2853 8.4776 124.3303 55.9089 29.7309 176.6971 1134 C 4.5404 8.6181 115.7281 57.5090 41.2736 173.7417 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 1001 S 8.09 4.80 0.00 4.30 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 1002 L 8.25 3.84 0.00 1.32 1.50 0.83 0.99 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 1003 F 8.60 4.20 0.00 3.16 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 1004 E 8.15 4.12 0.00 1.64 1.80 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 1.59 2.40 0.00 1005 L 8.12 4.09 0.00 2.13 1.90 1.11 1.21 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 1006 G 8.41 3.64 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1007 K 8.21 4.14 0.00 2.11 2.19 0.00 1.75 0.00 0.00 1.78 0.00 0.00 3.11 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.70 1.69 7.81 1008 M 8.22 4.13 0.00 1.91 2.11 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 1.91 0.00 1009 I 7.84 3.43 1.95 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.53 0.77 0.00 0.00 1010 W 8.40 4.26 0.00 3.34 3.45 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 0.00 1011 Q 8.16 2.95 0.00 1.35 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.60 0.00 0.00 0.00 0.00 0.00 1.37 2.14 0.00 1012 E 7.78 4.01 0.00 1.78 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.34 0.00 1013 T 7.85 4.36 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 1.11 0.00 0.00 1014 G 7.90 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 1015 K 7.66 4.41 0.00 1.84 1.82 0.00 1.58 0.00 0.00 1.03 0.00 0.00 2.47 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.21 1.24 7.81 1016 N 8.65 4.45 0.00 2.74 2.73 0.00 0.00 7.19 7.71 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 1017 P 0.00 4.53 0.00 2.16 2.19 0.00 3.76 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 2.20 2.21 0.00 1018 V 7.99 3.85 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 0.83 0.00 0.00 1.00 0.00 0.00 1019 K 8.73 4.02 0.00 1.79 2.00 0.00 1.84 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.48 1.58 7.81 1020 N 7.98 4.61 0.00 2.65 1.76 0.00 0.00 6.52 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 *1022 Y 7.22 5.31 0.00 3.18 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 1023 G 8.41 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 0.00 0.00 0.00 1024 L 7.85 5.02 0.00 2.06 1.77 1.05 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 1025 Y 7.46 4.69 0.00 3.18 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 1026 G 7.89 3.65 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 0.00 0.00 0.00 1027 C 9.11 4.67 0.00 3.12 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 1028 N 8.42 4.98 0.00 3.07 2.89 0.00 0.00 6.95 7.28 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 1029 C 8.46 4.76 0.00 3.51 3.48 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.57 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 0.00 0.00 0.00 1031 V 8.67 3.64 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 0.72 0.00 0.00 1.03 0.00 0.00 1032 G 8.85 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 0.00 0.00 0.00 1033 G 8.18 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1034 R 8.15 4.91 0.00 1.60 1.65 0.00 2.21 0.00 0.00 2.72 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.35 0.00 1035 G 8.77 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 0.00 0.00 0.00 0.00 1036 E 9.03 4.14 0.00 1.80 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 0.00 2.31 2.56 0.00 1037 P 0.00 4.64 0.00 1.86 1.93 0.00 3.44 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.93 0.00 1038 L 8.75 4.05 0.00 1.18 1.06 -0.47 0.71 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 1039 D 7.38 4.49 0.00 2.91 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 1040 A 8.53 3.99 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 1041 T 8.05 3.84 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 0.83 0.00 0.00 1042 D 9.01 4.54 0.00 3.15 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 1043 R 8.34 3.95 0.00 2.09 1.96 0.00 3.14 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.87 0.00 1044 C 8.38 4.30 0.00 3.35 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1045 C 8.17 3.83 0.00 3.25 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1046 F 8.43 3.93 0.00 3.12 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 1047 V 8.22 3.66 2.25 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 1.04 0.00 0.00 1.06 0.00 0.00 1048 H 8.02 3.77 0.00 2.42 2.42 0.00 5.64 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1049 K 7.39 3.62 0.00 1.49 1.64 0.00 1.73 0.00 0.00 1.61 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.23 7.81 1050 C 8.05 4.27 0.00 3.05 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 1051 C 7.97 4.15 0.00 2.98 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 1052 Y 7.79 4.21 0.00 3.06 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 1053 K 8.07 3.93 0.00 1.92 1.84 0.00 1.61 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.63 7.81 *1057 K 7.73 4.36 0.00 1.88 1.98 0.00 1.18 0.00 0.00 1.59 0.00 0.00 2.99 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.51 1.58 7.81 1058 L 7.63 4.32 0.00 1.66 1.61 0.68 0.87 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 1059 T 8.04 4.20 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 1.26 0.00 0.00 1060 D 7.74 4.93 0.00 2.64 2.66 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 1061 C 7.59 4.56 0.00 3.23 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 *1067 D 8.58 4.67 0.00 2.70 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1068 S 8.25 3.88 0.00 2.72 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 1069 K 8.45 3.97 0.00 1.79 1.96 0.00 1.59 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.38 1.36 7.81 1070 K 8.04 4.33 0.00 1.78 1.86 0.00 1.95 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.42 7.81 1071 D 8.00 4.65 0.00 2.83 2.66 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 1072 R 8.44 4.57 0.00 1.83 1.94 0.00 3.46 0.00 0.00 3.36 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.55 0.00 1073 Y 7.92 4.97 0.00 3.06 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 1074 S 8.78 4.97 0.00 3.99 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 1075 Y 8.38 5.25 0.00 3.30 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1076 K 9.29 4.54 0.00 1.73 1.73 0.00 1.64 0.00 0.00 1.52 0.00 0.00 2.78 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.36 1.51 7.81 1077 W 8.80 5.45 0.00 3.59 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1078 K 8.70 4.22 0.00 1.71 1.50 0.00 1.80 0.00 0.00 1.62 0.00 0.00 2.87 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.24 1.31 7.81 1079 N 9.21 3.98 0.00 2.73 2.73 0.00 0.00 7.12 7.61 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 1080 K 7.36 2.71 0.00 1.70 1.76 0.00 1.44 0.00 0.00 1.61 0.00 0.00 3.06 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.12 1.26 7.81 1081 A 6.96 4.75 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 1082 I 8.48 5.04 2.01 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.11 0.95 0.00 0.00 1083 V 9.03 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 0.98 0.00 0.00 1084 C 8.87 4.61 0.00 3.06 3.24 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 0.00 *1086 G 8.28 4.05 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 0.00 1087 K 8.75 4.45 0.00 1.79 1.81 0.00 1.74 0.00 0.00 1.72 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.48 7.81 1088 N 7.82 5.05 0.00 2.85 2.75 0.00 0.00 7.25 7.69 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 1089 Q 8.26 4.25 0.00 2.08 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.87 0.00 0.00 0.00 0.00 0.00 2.48 2.41 0.00 1090 P 0.00 4.22 0.00 2.15 2.10 0.00 3.60 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 2.12 2.15 0.00 1091 C 8.02 4.58 0.00 2.98 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1092 M 7.96 3.96 0.00 2.17 2.26 0.00 0.00 0.00 0.00 0.00 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.57 0.00 1093 Q 8.37 3.82 0.00 2.22 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.78 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 1094 E 8.14 3.90 0.00 2.25 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.49 0.00 1095 M 8.02 4.06 0.00 2.12 2.00 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.70 0.00 1096 C 7.72 3.48 0.00 1.89 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 1097 E 8.33 3.89 0.00 1.98 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 2.44 2.47 0.00 1098 C 8.45 4.30 0.00 3.30 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 1099 D 8.37 4.48 0.00 2.99 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 1100 K 8.46 3.81 0.00 1.81 2.01 0.00 1.76 0.00 0.00 1.85 0.00 0.00 2.98 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.46 1.50 7.81 1101 A 7.97 4.03 1.40 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 1102 F 8.23 4.25 0.00 2.99 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 1103 A 8.04 3.48 1.16 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 0.00 0.00 1104 I 7.71 3.59 2.01 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 1.44 0.71 0.92 0.00 0.00 1105 C 8.11 4.19 0.00 3.12 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1106 L 7.85 3.90 0.00 1.37 1.21 -0.74 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 1107 R 7.81 3.82 0.00 1.82 1.99 0.00 3.11 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.72 0.00 1108 E 8.27 4.07 0.00 2.13 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 2.33 2.41 0.00 1109 N 7.56 5.13 0.00 2.79 2.81 0.00 0.00 6.85 7.35 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 1110 L 7.91 4.14 0.00 1.76 1.73 0.89 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 1111 D 8.15 4.61 0.00 2.80 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1112 T 7.79 4.53 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 1113 Y 8.00 3.91 0.00 3.07 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 1114 N 8.71 4.79 0.00 2.41 2.02 0.00 0.00 6.42 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 1115 K 8.68 4.00 0.00 1.89 1.78 0.00 1.80 0.00 0.00 1.88 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.46 7.81 1116 S 7.75 4.16 0.00 3.96 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 1117 F 7.67 4.54 0.00 2.04 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 0.00 0.00 0.00 0.00 1118 R 7.60 3.76 0.00 1.79 1.59 0.00 2.42 0.00 0.00 2.81 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.49 0.00 1119 Y 7.46 4.98 0.00 3.02 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 1120 H 8.54 4.87 0.00 3.23 3.37 0.00 5.95 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1121 L 7.72 4.27 0.00 1.58 1.54 0.89 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 1122 K 8.40 4.03 0.00 1.84 1.89 0.00 1.72 0.00 0.00 1.86 0.00 0.00 3.09 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.71 1.71 7.81 1123 P 0.00 4.30 0.00 2.02 2.11 0.00 3.60 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 2.02 2.07 0.00 1124 S 7.82 4.33 0.00 3.97 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 1125 C 8.00 4.45 0.00 3.03 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *1128 K 8.34 4.36 0.00 1.70 1.76 0.00 1.96 0.00 0.00 1.70 0.00 0.00 2.76 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.41 1.22 7.81 1129 K 8.64 4.28 0.00 1.78 1.73 0.00 1.78 0.00 0.00 1.64 0.00 0.00 2.83 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.46 7.81 1130 T 8.64 4.12 4.49 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 1.42 0.00 0.00 1131 S 8.51 4.57 0.00 3.89 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1132 E 8.11 4.44 0.00 1.90 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 2.41 2.26 0.00 1133 Q 8.48 4.29 0.00 2.22 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.86 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 1134 C 8.62 4.54 0.00 2.96 3.02 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 * Residues marked with a * may have inaccurate shift predictions.