NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1003 V 3.9547 8.0544 120.3774 62.8564 32.6492 174.4811 1004 M 4.3123 8.0599 125.6083 53.9797 35.3132 173.6853 1005 Y 4.7205 8.2588 125.3010 56.9468 37.8881 174.2422 1006 K 4.3518 8.2227 124.7551 57.6797 34.5398 176.0117 1007 K 5.0697 8.9524 121.8126 54.6057 35.0775 175.0440 1008 I 4.8711 8.7189 128.3689 59.4572 40.1904 174.2435 1009 L 4.7767 8.6480 128.5216 53.9294 43.9592 174.5002 1010 Y 5.2254 9.0303 128.2438 55.1059 40.5260 171.3152 1011 P 4.8213 0.0000 0.0000 61.9038 32.5836 175.4003 1012 T 4.2637 8.2990 119.3240 59.6548 70.2291 173.0372 1013 D 4.3483 8.1901 125.5195 52.5281 39.7717 176.6467 1014 F 4.1619 7.4363 116.0852 59.1229 37.1054 176.0197 1015 S 4.6231 7.9830 116.1437 57.2419 65.5138 174.1158 1016 E 3.9629 8.6758 122.5565 60.0784 29.2762 179.1949 1017 T 3.9311 7.9329 114.8704 66.5036 68.5950 176.3774 1018 A 4.1159 8.1563 122.7801 55.3286 18.1403 179.5644 1019 E 4.0928 8.1480 116.2377 59.3977 29.8719 179.3394 1020 I 3.8735 7.6751 119.4615 64.4046 37.2155 178.2154 1021 A 4.0434 8.1134 121.5641 55.0443 18.1210 179.2579 1022 L 3.2755 7.9069 118.9036 58.1415 42.1224 179.2484 1023 K 3.8975 7.9183 117.8973 59.9949 31.7521 178.9689 1024 H 4.2640 7.9876 114.9294 58.5300 29.0144 177.3651 1025 V 3.5596 7.6187 120.1988 66.0711 31.2560 178.2549 1026 K 4.2560 8.2435 117.8392 59.5219 31.6698 179.1269 1027 A 4.1663 7.8432 119.6636 54.5779 18.3692 178.9714 1028 F 4.1149 8.1004 114.5158 57.7954 39.4360 175.8616 1029 K 4.1442 7.7868 121.5000 56.4693 32.8839 176.1083 1030 T 4.8476 8.0810 117.0643 60.8175 70.4034 173.7466 1031 L 4.1347 8.4403 118.6514 56.5736 42.1951 177.0081 1032 K 4.2609 7.8626 118.2869 55.1335 32.9992 175.9857 1033 A 4.3323 8.2432 123.1474 52.0921 19.2590 176.6913 1034 E 5.1564 8.4992 120.8411 54.7925 34.7651 173.8993 1035 E 5.3522 9.5444 121.9658 54.5632 33.5817 174.3253 1036 V 4.5630 8.8540 125.8645 61.1003 34.4851 174.4647 1037 I 4.4927 8.9949 129.4367 60.3751 38.2498 174.5316 1038 L 4.9089 8.9071 131.4876 53.4559 43.5518 174.8469 1039 L 5.1741 8.6052 128.6788 53.4046 45.2441 174.3664 1040 H 5.0879 9.1346 125.6646 54.2453 32.9374 172.0578 1041 V 4.5704 7.8315 125.1643 61.0809 33.2797 174.9090 1042 I 3.9664 8.7128 130.1268 60.4973 37.7239 175.1831 1043 D 4.8121 8.7018 128.1427 54.0776 41.4173 176.7268 1044 E 4.0696 9.0264 126.8243 59.3702 29.4019 179.4055 1045 R 3.9296 8.3520 118.9837 59.0177 30.1416 178.5254 1046 E 4.1009 8.1962 117.0416 59.4569 29.6854 178.5631 1047 I 4.0472 7.0740 117.5812 63.4157 37.3542 176.2601 1048 K 3.7303 7.4542 122.7535 57.5774 31.7693 177.7346 *1065 S 4.3170 8.2638 123.1595 59.4368 65.0964 171.4606 1066 V 3.8011 8.0675 118.0186 67.6178 31.2756 177.7041 1067 E 3.9751 8.1661 117.5467 59.4715 29.4274 178.9290 1068 E 3.9598 8.2527 117.9720 59.6080 29.5932 178.8785 1069 F 4.2075 8.7627 120.7415 61.5730 39.2472 177.0269 1070 E 3.7983 8.2633 117.8418 59.4137 29.3049 179.0510 1071 N 4.2733 8.1185 116.3649 56.4712 38.6545 177.3466 1072 E 3.9221 8.1634 119.8517 59.2133 29.5064 179.2173 1073 L 3.7510 7.5790 120.3418 58.0067 42.2164 179.1034 1074 K 3.9098 8.1687 118.6795 59.6478 32.0633 179.0738 1075 N 4.3715 8.2601 116.6574 56.1664 38.5191 177.6920 1076 K 4.0040 7.9928 120.0392 59.3506 31.9005 179.4526 1077 L 4.0155 7.7066 118.4277 57.8986 41.8090 179.1783 1078 T 4.0366 7.7282 115.2347 66.9599 68.3660 176.1438 1079 E 3.9623 7.9830 119.5410 59.6979 29.3736 179.2543 1080 E 4.0817 8.0096 115.7082 58.0190 29.8415 178.0340 1081 A 4.2106 7.8272 120.2453 52.6703 19.4964 179.2421 1082 K 3.9290 7.7319 117.5969 59.3879 31.9871 178.8838 1083 N 4.2510 7.9508 116.9077 56.4362 39.0308 176.9588 1084 K 3.7713 7.6176 119.4500 59.6900 32.0383 179.0740 1085 M 4.2226 7.9106 118.9116 58.3933 31.7611 178.6790 1086 E 4.0007 8.4080 118.9393 59.4326 29.6359 179.1299 1087 N 4.3352 7.9647 116.3367 56.3981 38.5265 177.6027 1088 I 3.7960 7.6971 120.7086 64.1763 37.1860 178.2627 1089 K 3.9261 8.4762 120.9284 59.6625 32.0184 178.9530 1090 K 4.0069 8.3497 118.8099 59.3092 32.0469 178.9517 1091 E 3.9741 8.2410 119.6459 59.4155 29.6983 178.9863 1092 L 4.3427 8.3571 119.3066 57.8314 41.6974 179.3201 1093 E 4.4151 8.5095 120.1645 58.9258 29.1556 178.8407 1094 D 4.4125 8.1218 117.2699 56.8264 41.3546 177.7650 1095 V 4.0312 7.0621 109.3376 60.7622 32.0332 176.3774 1096 G 3.9661 7.7290 105.8652 45.0600 0.0000 174.4854 1097 F 4.7314 8.1174 118.8668 57.1786 40.6471 174.3601 1098 K 4.5173 8.9496 122.9125 55.6566 33.6866 175.5519 1099 V 4.8705 8.3933 126.2373 60.9832 34.3362 174.2539 1100 K 4.5522 9.0432 130.0947 54.8510 33.5871 174.2695 1101 D 5.2992 8.6306 127.9081 52.3162 41.0910 175.8844 1102 I 4.6366 9.1435 123.3033 59.4135 40.8043 174.2980 1103 I 5.1105 8.4982 127.2018 59.4580 39.6516 175.3418 1104 V 4.5210 8.4924 125.8016 59.9127 35.1377 174.4138 1105 V 4.3667 8.4836 122.9772 61.2593 32.6151 176.0009 1106 G 3.9221 8.1205 114.3772 46.0949 0.0000 170.3982 1107 I 4.2459 7.4711 120.7878 59.6860 38.2654 174.4339 1108 P 4.1775 0.0000 0.0000 66.0974 31.3556 178.4331 1109 H 4.2329 8.0981 113.1443 58.6544 28.4587 177.3112 1110 E 3.8960 7.6717 120.8865 59.2431 29.2905 178.9330 1111 E 3.9676 8.2342 118.6752 59.2242 29.3969 179.4224 1112 I 3.6308 7.8189 120.0228 64.3059 37.2817 178.6393 1113 V 3.5431 7.7068 119.0396 65.7521 31.3042 178.0023 1114 K 3.9200 8.1146 119.3601 59.7467 32.0298 178.9563 1115 I 3.7909 8.0915 120.0439 64.0015 37.0959 178.2460 1116 A 3.9569 8.2341 122.1479 55.0953 18.2817 179.3362 1117 E 3.9171 8.1053 117.4070 59.4720 29.5088 178.8124 1118 D 4.3607 8.2760 118.4248 57.3760 40.9567 177.3242 1119 E 4.1083 8.4449 116.2914 56.2870 29.9491 176.4893 1120 G 3.9163 7.7180 106.5605 46.5575 0.0000 174.5187 1121 V 3.9443 7.4882 110.5876 61.2057 32.4574 176.6684 1122 D 4.7707 8.6602 121.1546 55.7264 41.6050 176.6841 1123 I 4.3533 7.3288 115.8197 60.2619 41.5453 172.4564 1124 I 4.7941 8.4802 128.8527 59.6065 39.5422 174.5013 1125 I 4.8919 8.4593 128.4876 59.6825 38.9105 174.8918 1126 M 4.9008 8.8940 123.7081 53.6763 35.1866 174.5821 1127 G 4.2815 8.5510 106.9281 45.7081 0.0000 174.1423 1128 S 4.4663 9.2112 115.6686 60.8007 64.3365 173.6367 1129 H 5.3968 8.0666 115.3236 54.4267 33.6507 172.7750 1130 G 4.1672 7.8496 110.9194 44.7175 0.0000 175.9523 1131 K 4.0829 8.8743 121.3733 59.4050 32.5438 178.7582 1132 T 3.8294 8.1951 114.9487 66.8699 69.0769 174.5322 1133 N 4.0389 7.1582 115.9995 54.3696 37.6703 173.3271 1134 L 4.2871 7.2911 122.3783 53.9006 43.6853 176.8607 1135 K 3.8354 8.8912 127.5482 59.5829 32.1223 177.4703 1136 E 4.1134 8.0584 114.6545 58.0074 30.0231 176.5397 1137 I 4.1332 7.5904 121.7067 60.6764 37.6453 175.6392 1138 L 4.5157 8.3517 124.2734 54.6537 42.2790 176.3609 1139 L 4.0804 7.3249 118.4673 53.6851 45.0749 174.6232 1140 G 3.7741 8.5630 116.0973 45.2796 0.0000 174.5789 1141 S 4.1289 8.4416 115.3287 60.8583 63.0768 176.9665 1142 V 3.5713 7.6448 121.7877 66.1288 31.3261 177.9698 1143 T 3.8273 7.7378 115.0476 66.5435 68.4861 176.0709 1144 E 3.8789 8.2342 121.2262 59.4376 29.6486 178.6980 1145 N 4.3062 8.2453 116.5336 56.2020 38.4660 177.6434 1146 V 3.6077 8.2061 120.1840 65.9337 31.3702 178.2012 1147 I 3.6866 7.7584 118.9301 64.4212 37.0530 178.3710 1148 K 4.1373 7.8791 117.7109 58.4696 31.9193 178.6489 1149 K 4.3428 7.9108 117.2653 56.4484 33.6430 177.0289 1150 S 4.3781 7.7012 113.2875 57.9739 62.9459 173.0719 1151 N 4.8128 8.5672 122.2798 52.6036 37.4369 175.0347 1152 K 4.4405 7.6866 118.1156 54.9797 33.5324 174.8429 1153 P 4.4533 0.0000 0.0000 62.8058 32.5539 175.4561 1154 V 4.6898 8.2797 123.4992 60.9532 34.0180 174.3487 1155 L 4.2855 8.9408 131.5964 54.3083 43.1127 175.4495 1156 V 4.5718 8.3355 127.3886 61.5614 32.6572 174.8779 1157 V 4.1663 8.5124 129.4170 61.4494 32.8121 175.6008 1158 K 5.0954 8.8418 127.2194 55.0444 33.1990 176.7806 1159 R 4.2545 8.4422 118.9036 55.6110 30.4367 176.4215 1160 K 4.0669 8.5372 118.8307 56.6123 32.6156 176.7340 1161 N 4.3651 8.7645 118.7518 54.9365 39.3535 175.7381 1162 S 4.0596 8.4488 117.2071 59.0535 62.9523 171.9690 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 V 8.05 3.95 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 0.55 0.00 0.00 0.90 0.00 0.00 1004 M 8.06 4.31 0.00 1.98 1.78 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.63 0.00 1005 Y 8.26 4.72 0.00 3.29 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 1006 K 8.22 4.35 0.00 1.89 1.98 0.00 1.69 0.00 0.00 1.78 0.00 0.00 2.80 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.54 1.66 7.81 1007 K 8.95 5.07 0.00 1.87 1.64 0.00 1.73 0.00 0.00 1.66 0.00 0.00 3.01 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.33 1.40 7.81 1008 I 8.72 4.87 1.69 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 0.92 0.64 0.69 0.00 0.00 1009 L 8.65 4.78 0.00 1.73 1.49 0.91 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 1010 Y 9.03 5.23 0.00 2.84 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 1011 P 0.00 4.82 0.00 1.93 1.90 0.00 3.92 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.87 0.00 1012 T 8.30 4.26 3.27 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 0.80 0.00 0.00 1013 D 8.19 4.35 0.00 2.74 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1014 F 7.44 4.16 0.00 3.24 3.13 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 0.00 0.00 0.00 0.00 1015 S 7.98 4.62 0.00 4.18 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 1016 E 8.68 3.96 0.00 2.08 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 2.40 2.44 0.00 1017 T 7.93 3.93 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 1.30 0.00 0.00 1018 A 8.16 4.12 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 1019 E 8.15 4.09 0.00 2.18 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 0.00 2.46 2.57 0.00 1020 I 7.68 3.87 2.03 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.28 0.97 0.00 0.00 1021 A 8.11 4.04 1.45 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 0.00 0.00 1022 L 7.91 3.28 0.00 1.72 1.87 0.66 0.74 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 1023 K 7.92 3.90 0.00 1.96 1.81 0.00 1.73 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.74 7.81 1024 H 7.99 4.26 0.00 3.23 3.43 0.00 5.72 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1025 V 7.62 3.56 1.84 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 0.60 0.00 0.00 0.43 0.00 0.00 1026 K 8.24 4.26 0.00 2.04 1.91 0.00 1.83 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.58 1.62 7.81 1027 A 7.84 4.17 1.38 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 0.00 0.00 0.00 1028 F 8.10 4.11 0.00 3.24 3.28 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 1029 K 7.79 4.14 0.00 1.52 1.60 0.00 1.18 0.00 0.00 0.61 0.00 0.00 2.65 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.26 1.19 7.81 1030 T 8.08 4.85 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 1.21 0.00 0.00 1031 L 8.44 4.13 0.00 1.64 1.74 0.90 0.81 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 1032 K 7.86 4.26 0.00 1.92 1.78 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.47 1.38 7.81 1033 A 8.24 4.33 1.26 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 0.00 0.00 1034 E 8.50 5.16 0.00 2.10 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 0.00 2.64 2.49 0.00 1035 E 9.54 5.35 0.00 2.05 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 2.21 2.45 0.00 1036 V 8.85 4.56 1.81 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 0.92 0.00 0.00 -0.19 0.00 0.00 1037 I 8.99 4.49 1.85 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 1.10 0.85 0.89 0.00 0.00 1038 L 8.91 4.91 0.00 1.79 1.56 1.01 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 1039 L 8.61 5.17 0.00 1.70 1.33 0.90 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 1040 H 9.13 5.09 0.00 3.04 3.15 0.00 5.60 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1041 V 7.83 4.57 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 0.85 0.00 0.00 0.82 0.00 0.00 1042 I 8.71 3.97 1.85 0.00 0.00 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 1.12 0.66 0.91 0.00 0.00 1043 D 8.70 4.81 0.00 2.64 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 1044 E 9.03 4.07 0.00 2.20 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.33 0.00 1045 R 8.35 3.93 0.00 1.88 2.03 0.00 3.17 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 1046 E 8.20 4.10 0.00 2.07 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 2.45 2.34 0.00 1047 I 7.07 4.05 2.00 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 1.49 0.64 0.92 0.00 0.00 1048 K 7.45 3.73 0.00 1.90 1.82 0.00 1.74 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.65 7.81 *1065 S 8.26 4.32 0.00 3.76 3.80 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 1066 V 8.07 3.80 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 1.05 0.00 0.00 0.93 0.00 0.00 1067 E 8.17 3.98 0.00 2.07 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 2.42 2.43 0.00 1068 E 8.25 3.96 0.00 2.29 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 0.00 2.43 2.41 0.00 1069 F 8.76 4.21 0.00 3.13 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 1070 E 8.26 3.80 0.00 2.21 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 2.72 2.54 0.00 1071 N 8.12 4.27 0.00 2.89 2.85 0.00 0.00 7.09 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 1072 E 8.16 3.92 0.00 1.91 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 2.32 2.57 0.00 1073 L 7.58 3.75 0.00 1.25 1.50 0.79 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 1074 K 8.17 3.91 0.00 1.94 1.81 0.00 1.69 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.58 7.81 1075 N 8.26 4.37 0.00 2.91 2.84 0.00 0.00 7.04 6.37 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 1076 K 7.99 4.00 0.00 1.90 1.82 0.00 1.58 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.69 7.81 1077 L 7.71 4.02 0.00 1.62 1.75 0.89 0.96 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 1078 T 7.73 4.04 4.40 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 1.21 0.00 0.00 1079 E 7.98 3.96 0.00 1.98 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 2.50 2.49 0.00 1080 E 8.01 4.08 0.00 2.07 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 2.52 2.43 0.00 1081 A 7.83 4.21 1.45 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 0.00 0.00 1082 K 7.73 3.93 0.00 1.96 1.84 0.00 1.78 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.60 7.81 1083 N 7.95 4.25 0.00 2.77 2.70 0.00 0.00 7.21 6.05 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 1084 K 7.62 3.77 0.00 0.79 0.98 0.00 0.61 0.00 0.00 1.51 0.00 0.00 2.68 0.00 0.00 2.56 0.00 0.00 0.00 0.00 1.21 1.18 7.81 1085 M 7.91 4.22 0.00 2.11 2.25 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 3.08 0.00 1086 E 8.41 4.00 0.00 2.11 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 2.58 2.49 0.00 1087 N 7.96 4.34 0.00 2.83 2.87 0.00 0.00 7.05 8.71 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 1088 I 7.70 3.80 2.12 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.95 1.09 0.00 0.00 1089 K 8.48 3.93 0.00 1.86 2.06 0.00 1.66 0.00 0.00 1.67 0.00 0.00 3.10 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.47 1.53 7.81 1090 K 8.35 4.01 0.00 1.95 1.86 0.00 1.76 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.59 1.60 7.81 1091 E 8.24 3.97 0.00 2.19 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 0.00 2.35 2.38 0.00 1092 L 8.36 4.34 0.00 1.93 1.82 0.88 1.13 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 1093 E 8.51 4.42 0.00 2.11 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 2.54 2.39 0.00 1094 D 8.12 4.41 0.00 2.69 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 1095 V 7.06 4.03 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 0.81 0.00 0.00 1.07 0.00 0.00 1096 G 7.73 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1097 F 8.12 4.73 0.00 3.15 2.92 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 K 8.95 4.52 0.00 1.92 1.75 0.00 1.61 0.00 0.00 1.80 0.00 0.00 2.79 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.42 7.81 1099 V 8.39 4.87 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 0.91 0.00 0.00 0.99 0.00 0.00 1100 K 9.04 4.55 0.00 1.87 1.67 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.35 1.36 7.81 1101 D 8.63 5.30 0.00 2.74 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1102 I 9.14 4.64 1.85 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 1.22 0.69 0.89 0.00 0.00 1103 I 8.50 5.11 1.89 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 1.50 0.66 0.96 0.00 0.00 1104 V 8.49 4.52 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 0.79 0.00 0.00 0.90 0.00 0.00 1105 V 8.48 4.37 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 0.79 0.00 0.00 0.91 0.00 0.00 1106 G 8.12 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 1107 I 7.47 4.25 1.76 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 1.60 0.86 0.79 0.00 0.00 1108 P 0.00 4.18 0.00 2.11 2.02 0.00 3.56 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.07 0.00 1109 H 8.10 4.23 0.00 3.30 3.52 0.00 5.46 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 1110 E 7.67 3.90 0.00 2.03 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 2.24 1.97 0.00 1111 E 8.23 3.97 0.00 1.92 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 2.43 0.00 1112 I 7.82 3.63 1.96 0.00 0.00 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 1.32 0.69 0.86 0.00 0.00 1113 V 7.71 3.54 2.20 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 0.99 0.00 0.00 0.95 0.00 0.00 1114 K 8.11 3.92 0.00 1.85 1.85 0.00 1.66 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.46 7.81 1115 I 8.09 3.79 1.95 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 1.43 0.49 0.89 0.00 0.00 1116 A 8.23 3.96 1.37 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 1117 E 8.11 3.92 0.00 2.12 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 0.00 2.30 2.39 0.00 1118 D 8.28 4.36 0.00 2.67 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 1119 E 8.44 4.11 0.00 2.02 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 2.41 2.39 0.00 1120 G 7.72 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 1121 V 7.49 3.94 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 0.70 0.00 0.00 0.99 0.00 0.00 1122 D 8.66 4.77 0.00 2.83 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 1123 I 7.33 4.35 1.99 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.44 0.76 0.00 0.00 1124 I 8.48 4.79 1.84 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 1.20 0.58 0.91 0.00 0.00 1125 I 8.46 4.89 1.69 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.19 0.76 0.00 0.00 1126 M 8.89 4.90 0.00 2.02 2.08 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.46 0.00 1127 G 8.55 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 0.00 0.00 0.00 0.00 1128 S 9.21 4.47 0.00 3.88 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1129 H 8.07 5.40 0.00 3.06 3.22 0.00 5.88 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1130 G 7.85 4.17 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 0.00 1131 K 8.87 4.08 0.00 1.77 1.90 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.45 1.43 7.81 1132 T 8.20 3.83 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 1.22 0.00 0.00 1133 N 7.16 4.04 0.00 2.97 2.82 0.00 0.00 7.28 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 1134 L 7.29 4.29 0.00 1.77 1.53 0.93 0.56 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 1135 K 8.89 3.84 0.00 1.72 1.84 0.00 1.69 0.00 0.00 1.74 0.00 0.00 3.12 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.50 7.81 1136 E 8.06 4.11 0.00 2.12 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 2.28 2.33 0.00 1137 I 7.59 4.13 2.03 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 1.31 0.85 0.95 0.00 0.00 1138 L 8.35 4.52 0.00 1.64 1.72 0.93 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 1139 L 7.32 4.08 0.00 1.49 1.45 0.86 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 1140 G 8.56 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 1141 S 8.44 4.13 0.00 4.02 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 1142 V 7.64 3.57 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 1.08 0.00 0.00 0.90 0.00 0.00 1143 T 7.74 3.83 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 1.18 0.00 0.00 1144 E 8.23 3.88 0.00 2.00 1.90 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 2.27 2.32 0.00 1145 N 8.25 4.31 0.00 2.90 2.70 0.00 0.00 6.68 7.29 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 1146 V 8.21 3.61 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 1.09 0.00 0.00 0.95 0.00 0.00 1147 I 7.76 3.69 1.85 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 1.51 0.74 0.90 0.00 0.00 1148 K 7.88 4.14 0.00 1.74 1.85 0.00 1.65 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.60 7.81 1149 K 7.91 4.34 0.00 1.85 1.85 0.00 1.73 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.39 1.40 7.81 1150 S 7.70 4.38 0.00 3.81 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 1151 N 8.57 4.81 0.00 2.85 2.88 0.00 0.00 6.08 7.13 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 1152 K 7.69 4.44 0.00 1.79 1.79 0.00 1.90 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.44 1.55 7.81 1153 P 0.00 4.45 0.00 2.16 2.06 0.00 3.70 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.16 0.00 1154 V 8.28 4.69 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 0.75 0.00 0.00 0.95 0.00 0.00 1155 L 8.94 4.29 0.00 1.71 1.40 0.92 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 1156 V 8.34 4.57 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 0.80 0.00 0.00 0.91 0.00 0.00 1157 V 8.51 4.17 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 0.90 0.00 0.00 0.68 0.00 0.00 1158 K 8.84 5.10 0.00 1.69 1.74 0.00 1.88 0.00 0.00 2.42 0.00 0.00 3.06 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.23 7.81 1159 R 8.44 4.25 0.00 1.78 1.93 0.00 2.93 0.00 0.00 2.72 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 1160 K 8.54 4.07 0.00 1.76 1.80 0.00 1.90 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.49 7.81 1161 N 8.76 4.37 0.00 2.71 2.74 0.00 0.00 7.18 7.57 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 1162 S 8.45 4.06 0.00 3.93 4.04 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 * Residues marked with a * may have inaccurate shift predictions.