NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1002 P 4.4101 0.0000 0.0000 63.4560 32.7903 174.4412 1003 S 4.6362 8.2289 110.9936 56.3649 65.1583 173.5714 1004 I 4.7636 8.5109 120.5379 58.9420 41.3813 173.7361 1005 K 5.3470 8.5295 122.1109 55.0473 35.3492 174.7364 1006 L 5.2704 9.0690 123.5061 54.0335 43.9776 174.8716 1007 Q 5.1680 8.9176 124.5208 54.5355 30.4199 175.5103 1008 S 4.7708 9.0139 122.4439 57.9567 64.1687 175.1701 1009 S 4.1907 9.3817 114.4502 61.6187 63.1715 176.5510 1010 D 4.2970 7.7850 118.9474 57.2832 40.6248 177.3105 1011 G 4.0691 7.5412 102.7596 44.9358 0.0000 172.9839 1012 E 4.3517 8.2534 122.0760 55.5629 31.0851 175.0381 1013 I 4.8481 8.3053 127.4903 60.4307 38.7453 174.9960 1014 F 4.8235 9.5324 125.2586 55.7008 42.2337 173.9571 1015 E 4.9523 8.8649 122.2794 54.9733 31.1492 175.8921 1016 V 4.6243 8.7409 117.0853 59.4397 36.8753 174.4027 1017 D 4.8599 8.8577 124.8621 54.1604 41.6035 176.8562 1018 V 3.9155 8.3763 123.1371 63.0025 31.9784 174.5338 1019 E 4.4733 9.0011 121.0330 56.8609 27.4773 176.6353 1020 I 3.9111 7.6731 118.4343 64.1005 37.7199 178.3336 1021 A 4.0402 7.9898 122.8600 55.0670 18.4212 178.9538 1022 K 4.3476 7.9638 111.5079 57.6880 31.9399 177.9661 1023 Q 4.0421 7.7318 118.7839 57.6675 29.0715 176.5056 1024 S 4.5664 8.1254 113.7580 56.6658 63.3114 174.8568 1025 V 3.8469 8.1387 130.8734 64.8070 31.2625 178.6304 1026 T 3.7176 7.6888 116.5672 66.6591 68.3015 176.6429 1027 I 3.6847 7.4465 121.2528 64.0414 37.0414 178.2804 1028 K 3.8514 8.4445 120.8994 59.9240 31.9325 178.7758 1029 T 3.8395 8.2605 116.1451 67.1637 68.3661 176.5992 1030 M 4.0714 7.9357 119.9430 57.9996 31.6674 178.9894 1031 L 3.9615 7.9336 119.3708 58.0381 41.7686 179.2678 1032 E 4.1649 8.2436 116.9080 58.3452 29.5249 177.4981 1033 D 4.6854 8.1055 117.6288 56.1348 42.0211 177.9573 1034 L 4.0412 7.8802 117.3770 55.3532 42.5786 176.8628 1035 G 3.6517 8.2415 105.7929 45.1533 0.0000 174.5095 1036 M 4.2657 7.7224 117.0096 54.3796 32.5303 176.4618 1037 D 4.2391 8.5027 124.6706 57.2687 41.5008 174.1863 *1044 P 5.2079 0.0000 0.0000 62.5767 32.9921 175.9834 1045 V 4.0544 8.5939 125.3543 61.3320 32.2270 173.1994 1046 P 4.7576 0.0000 0.0000 62.3149 31.9578 177.1428 1047 L 4.9698 8.7074 125.4152 51.5995 41.5694 175.0685 1048 P 4.1326 0.0000 0.0000 65.6479 31.4184 177.7693 1049 N 4.4481 7.4956 112.9347 52.6136 38.9544 174.5599 1050 V 4.3243 7.9200 119.6853 60.3355 34.2588 174.3555 1051 N 5.0185 8.8158 125.7821 50.8815 40.3657 175.8938 1052 A 4.1247 8.7334 124.2222 55.6795 18.3015 179.9794 1053 A 4.0052 8.0584 117.3438 55.5870 18.8248 179.4936 1054 I 3.8050 8.4700 117.9041 64.3112 37.3054 178.2386 1055 L 3.8133 8.1350 121.6433 58.3414 41.4201 179.0451 1056 K 4.0032 8.0854 119.1013 59.1845 32.0453 178.7528 1057 K 4.1690 8.4492 120.5588 59.5663 32.2589 179.2760 1058 V 3.8304 7.8300 112.2473 64.5128 31.4326 178.3249 1059 I 3.8120 7.9512 119.5968 64.5386 36.7325 178.2088 1060 Q 4.1195 7.7461 118.9530 58.9850 29.1897 177.8575 1061 W 4.0609 8.5088 129.4368 60.5398 30.7512 177.8687 1062 C 4.1715 9.0585 117.3699 62.9694 27.5077 175.8795 1063 T 4.0668 8.1046 109.2131 63.7179 68.3240 174.6066 1064 H 4.2908 7.4805 119.6130 57.9909 30.5786 173.2971 1065 H 4.4210 8.0143 116.8022 54.6614 31.6442 172.4028 *1084 D 4.2630 8.4509 119.2508 54.7657 40.6304 175.3536 1085 I 4.0292 8.1276 126.9253 59.8498 37.6287 174.7869 1086 P 4.3336 0.0000 0.0000 62.8569 31.7757 176.4256 1087 V 4.1491 8.7371 114.1004 62.8747 31.1447 175.2437 1088 W 4.2980 8.9158 135.0000 58.1299 28.2317 176.4944 1089 D 4.5399 8.1556 118.9026 57.2663 39.9769 178.4212 1090 Q 4.0593 7.7524 118.5624 58.6211 29.3416 177.1120 1091 E 4.1044 7.8197 119.8690 58.6986 29.7800 177.9578 1092 F 3.8196 9.2868 119.5495 60.2320 39.5105 176.0471 1093 L 4.4981 7.5870 116.9702 54.1129 41.4801 177.3530 1094 K 4.0133 7.4557 117.7849 56.8876 31.5265 177.2585 1095 V 3.8407 7.2419 118.4869 61.7718 32.8281 174.8639 1096 D 4.7116 8.1547 119.4553 52.2270 40.8516 177.0751 1097 Q 4.0703 8.8852 119.8322 59.4803 28.6260 179.7855 1098 G 3.7893 8.1955 105.7744 48.4046 0.0000 175.5689 1099 T 3.8661 7.8031 117.8903 66.1046 68.4233 176.3790 1100 L 3.9100 7.9656 121.7934 58.3948 41.9108 178.5361 1101 F 3.9638 8.5849 120.6005 61.4054 39.1364 176.9848 1102 E 4.1213 8.1726 117.6612 59.5319 29.2361 179.3201 1103 L 3.9701 8.3793 119.4306 57.6266 41.5595 179.4963 1104 I 3.5860 7.8970 119.9857 64.5182 37.0170 178.4978 1105 L 3.9146 7.5566 119.4316 57.6550 41.3983 179.3909 1106 A 4.0238 8.3556 120.8808 55.0612 18.2389 179.5535 1107 A 3.8040 8.2078 119.5116 55.2092 18.2498 179.3718 1108 N 4.1630 8.0002 114.2452 56.9690 39.1614 176.0505 1109 Y 4.2560 8.4321 119.8671 60.8588 39.3459 177.8564 1110 L 3.7839 8.6593 119.3900 54.5019 42.9444 174.9351 1111 D 4.5147 8.0889 119.6580 54.7801 39.2317 172.0274 1112 I 4.6412 6.8982 121.0697 57.5335 38.3920 176.0721 1113 K 3.9231 8.6023 124.5947 59.7768 32.1066 177.9085 1114 G 3.8138 8.1741 105.0404 47.7089 0.0000 174.9197 1115 L 2.8128 7.0094 122.3039 56.9200 41.9092 178.7311 1116 L 3.7842 7.8487 120.3079 58.3629 41.8842 178.5910 1117 D 4.3168 7.9972 118.3670 57.5207 40.8285 178.9706 1118 V 3.6601 7.7440 118.7598 66.2661 31.6145 178.2139 1119 T 3.8946 7.8902 109.3744 65.1244 68.8152 176.5587 1120 C 4.1342 8.1793 120.0051 62.1926 28.0220 176.0496 1121 K 3.9855 8.4934 121.7352 59.7987 31.5572 179.0703 1122 T 3.8853 7.6613 115.2860 66.3818 68.5241 176.5643 1123 V 3.8287 7.7046 119.7561 65.6855 31.5554 177.7582 1124 A 3.9990 8.1015 120.5807 55.5580 18.0648 179.3555 1125 N 4.2614 8.1960 113.1848 56.5562 38.6290 177.0475 1126 M 4.2696 8.1004 119.0291 57.3278 31.9116 177.8666 1127 I 4.4658 8.3811 120.4612 62.0243 37.8055 174.8658 1128 K 3.9311 7.9552 119.5763 58.2193 31.6354 177.2048 1129 G 4.9476 9.2993 126.7800 45.1832 0.0000 172.0715 1130 K 3.5251 7.7715 122.8834 56.3475 32.9970 170.4313 1131 T 3.3743 8.2859 122.9086 62.7701 66.5501 171.1198 1132 P 4.2415 0.0000 0.0000 65.8477 31.1003 178.4193 1133 E 4.0186 8.2783 116.6560 59.7020 29.4423 179.2460 1134 E 4.0733 8.1306 117.9567 59.2360 29.6342 179.1161 1135 I 4.0535 7.9360 119.9039 64.0014 37.0683 178.8055 1136 R 3.9957 7.8917 119.2682 59.4088 29.8518 178.9025 1137 K 4.0759 7.5152 116.3548 59.9240 32.0589 178.7888 1138 T 4.1088 7.4622 113.4536 64.7651 68.6623 175.5799 1139 F 4.6795 7.5621 116.1243 56.4696 41.2757 176.7490 1140 N 4.0945 9.5566 123.6980 53.3630 37.8487 172.7124 1141 I 3.1649 5.4200 116.2075 60.7125 38.6620 173.1380 1142 K 4.5519 8.2800 122.9920 54.4680 33.9786 176.8482 1143 N 4.6133 8.4790 122.0411 53.6535 36.8635 173.4740 1144 D 4.7086 7.8946 124.3507 53.0406 40.2558 176.7537 1145 F 4.9084 8.0904 118.7398 57.3162 40.5696 176.7722 1146 T 4.4070 8.7337 115.2791 62.1662 71.1778 175.5651 1147 E 3.5791 8.2975 118.2109 59.4439 29.7221 179.6448 1148 E 3.9734 8.0891 117.9325 59.5275 29.8758 179.0914 1149 E 3.9195 7.7787 117.2103 59.5820 29.6025 179.1297 1150 E 3.4266 8.2769 118.7099 59.0186 29.7816 178.5045 1151 A 3.9260 7.6225 120.8876 55.3086 18.4609 179.3989 1152 Q 3.8469 8.2705 118.2305 59.3868 29.0734 178.6066 1153 V 3.4824 7.9549 119.6238 66.0200 31.1850 178.2367 1154 R 3.9490 7.8344 117.2102 58.6704 29.9216 178.6512 1155 K 4.0866 7.5367 118.4822 59.5411 32.3344 178.4986 1156 E 4.1596 8.0595 117.5476 58.8141 29.4876 177.8732 1157 N 4.9688 7.5741 114.2443 52.9699 39.2420 175.2424 1158 Q 4.2122 8.0629 118.5886 55.8899 29.9483 175.5204 1159 W 4.5172 8.5880 131.9894 57.5977 31.0658 174.9352 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 1002 P 0.00 4.41 0.00 2.06 2.11 0.00 3.69 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 1.93 2.08 0.00 1003 S 8.23 4.64 0.00 3.93 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 1004 I 8.51 4.76 1.90 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 1.30 0.81 0.93 0.00 0.00 1005 K 8.53 5.35 0.00 1.87 2.22 0.00 1.47 0.00 0.00 1.89 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.57 7.81 1006 L 9.07 5.27 0.00 1.87 1.80 0.96 0.90 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 1007 Q 8.92 5.17 0.00 2.20 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 1008 S 9.01 4.77 0.00 4.10 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 1009 S 9.38 4.19 0.00 3.84 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 1010 D 7.78 4.30 0.00 2.81 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 1011 G 7.54 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 1012 E 8.25 4.35 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 2.08 2.23 0.00 1013 I 8.31 4.85 1.87 0.00 0.00 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 1.37 0.62 0.94 0.00 0.00 1014 F 9.53 4.82 0.00 3.08 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 1015 E 8.86 4.95 0.00 1.87 1.91 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 2.25 2.27 0.00 1016 V 8.74 4.62 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 0.89 0.00 0.00 1.04 0.00 0.00 1017 D 8.86 4.86 0.00 2.65 2.62 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 1018 V 8.38 3.92 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 0.73 0.00 0.00 0.94 0.00 0.00 1019 E 9.00 4.47 0.00 2.13 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 2.17 2.24 0.00 1020 I 7.67 3.91 2.03 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 1.22 0.85 0.95 0.00 0.00 1021 A 7.99 4.04 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 1022 K 7.96 4.35 0.00 1.77 1.87 0.00 1.93 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.52 7.81 1023 Q 7.73 4.04 0.00 2.25 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.76 0.00 0.00 0.00 0.00 0.00 2.44 2.61 0.00 1024 S 8.13 4.57 0.00 3.88 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 1025 V 8.14 3.85 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 0.93 0.00 0.00 0.90 0.00 0.00 1026 T 7.69 3.72 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 0.88 0.00 0.00 1027 I 7.45 3.68 1.98 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 1.38 0.59 0.91 0.00 0.00 1028 K 8.44 3.85 0.00 1.90 1.90 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.55 1.49 7.81 1029 T 8.26 3.84 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 1.26 0.00 0.00 1030 M 7.94 4.07 0.00 2.10 2.10 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 2.74 2.57 0.00 1031 L 7.93 3.96 0.00 1.88 1.71 0.93 0.91 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 1032 E 8.24 4.16 0.00 1.93 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 2.47 0.00 1033 D 8.11 4.69 0.00 2.88 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 1034 L 7.88 4.04 0.00 1.79 1.73 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 1035 G 8.24 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 1036 M 7.72 4.27 0.00 2.17 2.05 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.64 0.00 1037 D 8.50 4.24 0.00 2.83 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 *1044 P 0.00 5.21 0.00 1.99 2.07 0.00 3.74 0.00 0.00 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.95 0.00 1045 V 8.59 4.05 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 1.07 0.00 0.00 1.00 0.00 0.00 1046 P 0.00 4.76 0.00 2.16 2.09 0.00 3.79 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.03 0.00 1047 L 8.71 4.97 0.00 1.73 1.78 0.94 0.91 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 1048 P 0.00 4.13 0.00 2.11 2.22 0.00 3.98 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.07 0.00 1049 N 7.50 4.45 0.00 1.44 2.30 0.00 0.00 6.59 7.68 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 1050 V 7.92 4.32 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 0.84 0.00 0.00 1.05 0.00 0.00 1051 N 8.82 5.02 0.00 3.33 2.92 0.00 0.00 6.58 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 1052 A 8.73 4.12 1.65 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 1053 A 8.06 4.01 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 1054 I 8.47 3.80 1.87 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 0.85 0.92 0.00 0.00 1055 L 8.14 3.81 0.00 1.63 1.13 0.45 0.05 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 1056 K 8.09 4.00 0.00 2.33 2.15 0.00 1.82 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.75 1.84 7.81 1057 K 8.45 4.17 0.00 1.93 1.97 0.00 1.64 0.00 0.00 1.60 0.00 0.00 2.31 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.36 1.69 7.81 1058 V 7.83 3.83 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 0.76 0.00 0.00 1.02 0.00 0.00 1059 I 7.95 3.81 2.12 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 1.62 0.92 1.02 0.00 0.00 1060 Q 7.75 4.12 0.00 2.35 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.96 0.00 0.00 0.00 0.00 0.00 2.83 2.67 0.00 1061 W 8.51 4.06 0.00 3.10 3.30 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 1062 C 9.06 4.17 0.00 3.22 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 1063 T 8.10 4.07 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 1.28 0.00 0.00 1064 H 7.48 4.29 0.00 2.88 3.14 0.00 5.89 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1065 H 8.01 4.42 0.00 2.52 2.93 0.00 5.93 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *1084 D 8.45 4.26 0.00 2.67 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 1085 I 8.13 4.03 1.93 0.00 0.00 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 1.48 0.70 1.00 0.00 0.00 1086 P 0.00 4.33 0.00 2.53 2.07 0.00 3.73 0.00 0.00 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.20 0.00 1087 V 8.74 4.15 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 0.73 0.00 0.00 1.01 0.00 0.00 1088 W 8.92 4.30 0.00 3.52 3.43 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 0.00 1089 D 8.16 4.54 0.00 3.02 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1090 Q 7.75 4.06 0.00 2.38 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.92 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 1091 E 7.82 4.10 0.00 2.08 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 2.29 2.29 0.00 1092 F 9.29 3.82 0.00 1.79 2.64 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 1093 L 7.59 4.50 0.00 1.84 1.65 1.02 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 1094 K 7.46 4.01 0.00 1.75 1.75 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.33 7.81 1095 V 7.24 3.84 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 0.74 0.00 0.00 0.69 0.00 0.00 1096 D 8.15 4.71 0.00 2.82 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 1097 Q 8.89 4.07 0.00 2.09 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.85 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 1098 G 8.20 3.79 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 0.00 0.00 0.00 1099 T 7.80 3.87 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 1.14 0.00 0.00 1100 L 7.97 3.91 0.00 1.76 1.86 0.92 0.88 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 1101 F 8.58 3.96 0.00 3.22 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 1102 E 8.17 4.12 0.00 2.24 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 2.59 2.52 0.00 1103 L 8.38 3.97 0.00 1.79 1.67 0.91 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 1104 I 7.90 3.59 1.76 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 1.69 0.68 0.75 0.00 0.00 1105 L 7.56 3.91 0.00 1.78 1.70 1.07 0.76 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 1106 A 8.36 4.02 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 1107 A 8.21 3.80 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 1108 N 8.00 4.16 0.00 2.73 2.98 0.00 0.00 7.24 7.20 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 1109 Y 8.43 4.26 0.00 2.91 3.22 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 1110 L 8.66 3.78 0.00 1.72 1.62 0.96 1.14 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 1111 D 8.09 4.51 0.00 2.75 2.55 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 1112 I 6.90 4.64 1.70 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 1.57 0.63 0.80 0.00 0.00 1113 K 8.60 3.92 0.00 1.84 1.91 0.00 1.53 0.00 0.00 1.81 0.00 0.00 3.06 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.54 1.60 7.81 1114 G 8.17 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 1115 L 7.01 2.81 0.00 0.45 1.10 0.60 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 1116 L 7.85 3.78 0.00 1.66 1.81 0.84 1.12 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 1117 D 8.00 4.32 0.00 3.01 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 1118 V 7.74 3.66 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 1.21 0.00 0.00 1.16 0.00 0.00 1119 T 7.89 3.89 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 1.20 0.00 0.00 1120 C 8.18 4.13 0.00 3.01 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 1121 K 8.49 3.99 0.00 2.05 1.97 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.50 7.81 1122 T 7.66 3.89 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 1.23 0.00 0.00 1123 V 7.70 3.83 2.27 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 1.19 0.00 0.00 1.05 0.00 0.00 1124 A 8.10 4.00 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 1125 N 8.20 4.26 0.00 2.88 2.94 0.00 0.00 7.16 7.97 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 1126 M 8.10 4.27 0.00 1.97 2.56 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.97 2.56 0.00 1127 I 8.38 4.47 1.98 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.16 0.88 0.00 0.00 1128 K 7.96 3.93 0.00 1.74 1.81 0.00 2.07 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.64 7.81 1129 G 9.30 4.95 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 0.00 1130 K 7.77 3.53 0.00 1.65 1.80 0.00 1.80 0.00 0.00 1.58 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.31 1.30 7.81 1131 T 8.29 3.37 4.35 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 0.00 0.00 0.00 1.31 0.00 0.00 1132 P 0.00 4.24 0.00 2.19 2.15 0.00 3.62 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.19 0.00 1133 E 8.28 4.02 0.00 2.07 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 2.43 2.51 0.00 1134 E 8.13 4.07 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 2.41 0.00 1135 I 7.94 4.05 2.04 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 1.59 1.66 0.99 0.00 0.00 1136 R 7.89 4.00 0.00 2.02 2.20 0.00 3.20 0.00 0.00 3.20 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.90 0.00 1137 K 7.52 4.08 0.00 1.87 1.90 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.67 1.67 7.81 1138 T 7.46 4.11 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 0.72 0.00 0.00 1139 F 7.56 4.68 0.00 2.99 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 1140 N 9.56 4.09 0.00 2.83 2.69 0.00 0.00 7.12 7.81 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 1141 I 5.42 3.16 1.92 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 1.33 0.76 0.90 0.00 0.00 1142 K 8.28 4.55 0.00 1.67 1.67 0.00 1.63 0.00 0.00 1.62 0.00 0.00 3.06 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.34 1.44 7.81 1143 N 8.48 4.61 0.00 2.73 2.79 0.00 0.00 7.08 8.47 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 1144 D 7.89 4.71 0.00 2.68 2.61 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 1145 F 8.09 4.91 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 1146 T 8.73 4.41 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 1147 E 8.30 3.58 0.00 2.03 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 2.42 2.42 0.00 1148 E 8.09 3.97 0.00 2.06 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 2.40 2.47 0.00 1149 E 7.78 3.92 0.00 2.46 2.16 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 2.40 2.41 0.00 1150 E 8.28 3.43 0.00 2.07 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 2.25 2.21 0.00 1151 A 7.62 3.93 1.36 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 0.00 0.00 1152 Q 8.27 3.85 0.00 2.12 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.74 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 1153 V 7.95 3.48 1.69 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 0.73 0.00 0.00 0.41 0.00 0.00 1154 R 7.83 3.95 0.00 1.93 1.95 0.00 3.19 0.00 0.00 3.12 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.81 0.00 1155 K 7.54 4.09 0.00 1.89 1.96 0.00 1.79 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.47 7.81 1156 E 8.06 4.16 0.00 1.96 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 2.33 0.00 1157 N 7.57 4.97 0.00 2.68 2.84 0.00 0.00 7.03 9.02 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 1158 Q 8.06 4.21 0.00 2.25 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.83 0.00 0.00 0.00 0.00 0.00 2.35 2.45 0.00 1159 W 8.59 4.52 0.00 3.30 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 * Residues marked with a * may have inaccurate shift predictions.