NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1001 D 4.5557 8.3649 120.1914 53.6513 43.0212 176.2032 1002 C 4.3993 8.4040 115.3152 53.1213 36.4540 171.4702 1003 P 4.2124 0.0000 0.0000 62.9620 32.0194 174.8619 1004 S 4.1162 8.5499 115.2901 60.4211 62.1866 174.1653 1005 G 4.2153 9.3779 115.5845 44.7406 0.0000 172.5623 1006 W 4.8953 8.0114 118.5533 54.9019 32.0611 175.4536 1007 S 5.0634 9.0114 119.8172 57.6283 64.4344 173.3238 1008 S 5.6589 8.7812 117.0168 57.2381 66.0045 173.2272 1009 Y 4.1725 9.1069 122.2206 57.5721 41.6253 174.3109 1010 E 3.4280 8.8220 129.5004 57.6002 27.7189 173.6236 1011 G 4.0341 8.0397 99.0454 46.5128 0.0000 172.7744 1012 N 5.0361 7.7917 112.8660 51.4287 43.9526 173.4298 1013 C 5.5138 9.4518 119.6606 55.8190 40.2712 172.6931 1014 Y 5.7128 9.5221 121.9084 56.5956 41.6219 174.8918 1015 K 4.2659 8.7784 120.7233 55.3507 36.1470 173.8584 1016 F 4.7540 8.3141 129.9398 56.9781 40.6419 174.4310 1017 F 3.9305 7.5167 125.1089 55.1117 40.9384 175.5557 1018 Q 4.0915 7.9235 127.8229 54.4663 26.8748 174.2978 1019 Q 4.2496 7.2094 119.7539 53.9433 31.6841 174.1548 1020 K 4.3462 8.6632 126.8052 57.0097 32.7035 176.3775 1021 M 5.0698 9.1234 124.2537 53.3282 37.3343 174.6631 1022 N 5.9307 8.5433 116.2399 51.4471 38.8191 175.6916 1023 W 2.5400 7.9649 128.5975 60.2368 30.2435 178.2581 1024 A 3.6381 7.6360 119.7231 55.3380 18.0701 179.3244 1025 D 4.2034 7.6977 115.3901 56.9215 40.7364 179.1130 1026 A 2.9347 7.3569 121.7136 54.4752 18.2900 179.1027 1027 E 3.4596 6.9543 117.3668 59.2818 29.5226 178.9581 1028 R 4.0506 7.3123 119.4583 58.7538 29.8868 177.9182 1029 F 3.7900 7.6735 119.0635 61.6021 39.5861 176.1905 1030 C 4.5883 8.6709 116.5093 59.9561 38.2766 176.0118 1031 S 4.4573 8.2113 117.5356 61.0468 62.2301 176.1397 1032 E 3.8159 8.0386 119.6347 57.2021 29.4077 178.2920 1033 Q 3.9440 7.6923 119.7442 57.9668 29.7285 175.4505 1034 A 4.2629 7.0385 121.6564 51.1522 22.4537 176.0981 1035 K 4.0640 8.4412 122.6500 56.5756 31.7685 177.9793 1036 G 3.9292 8.9251 112.6952 44.0156 0.0000 173.1613 1037 G 3.7993 8.2138 108.1278 46.8183 0.0000 172.9312 1038 H 5.3037 8.7903 119.1626 54.4182 34.2619 172.9836 1039 L 4.7235 8.9643 121.0481 54.5279 42.1239 177.9721 1040 V 4.0073 9.0035 123.4671 62.5422 32.3862 175.2033 1041 S 4.9406 8.9037 116.9747 56.5012 64.9570 173.3110 1042 I 4.5480 8.1822 125.0402 59.1154 38.2273 175.5553 1043 K 4.2047 9.8753 128.3227 57.1787 31.0932 178.4802 1044 I 3.2347 7.4364 127.4034 63.6232 37.2777 176.0613 1045 Y 4.8583 6.5622 119.3130 55.4989 38.0403 174.8170 1046 S 4.6742 7.8612 116.9102 55.9541 65.3757 177.8105 1047 K 4.0312 8.5284 121.6928 59.2816 31.6179 178.2483 1048 E 3.2046 8.3731 119.4409 58.9362 29.5281 178.1170 1049 K 3.9303 8.2099 119.6264 59.8158 32.2750 178.2882 1050 D 4.3047 8.0675 118.2315 57.8544 40.8416 177.7682 1051 F 3.7061 8.7076 120.9208 61.9433 39.2299 177.1504 1052 V 3.4993 8.3630 117.8404 65.9301 31.1816 178.5455 1053 G 3.5988 7.8654 105.5877 47.2774 0.0000 175.0876 1054 D 4.2150 8.5007 121.4570 56.5833 41.0910 177.9246 1055 L 3.5271 7.4206 119.8520 58.9055 42.1009 178.1230 1056 V 3.0569 8.1623 117.7157 63.2967 30.6905 179.1973 1057 T 3.8719 7.2093 114.6448 65.4043 68.8105 175.1476 1058 K 4.1688 7.7137 119.4129 56.9419 34.5689 175.8719 1059 N 4.3877 7.9520 122.2795 55.5677 45.7719 175.9401 1060 I 2.8620 7.5379 116.9854 63.4894 37.8423 176.8361 1061 Q 3.1108 6.9515 112.3854 57.2776 24.8412 174.9415 1062 S 4.5455 7.5704 122.2499 59.0144 67.4645 176.9236 1063 S 4.6451 8.7367 118.5084 58.9760 63.5528 174.0791 1064 D 4.5699 7.8264 120.9387 54.7216 41.3847 175.7177 1065 L 4.5474 8.1971 119.7864 54.6670 44.5475 175.6280 1066 Y 6.2734 8.0350 113.9184 55.0781 42.0357 174.9431 1067 A 4.8728 8.6620 121.8808 49.8991 22.4994 175.6179 1068 W 5.3152 9.2108 123.7867 57.5127 30.2965 175.6784 1069 I 4.7776 9.3196 117.7127 58.7194 39.7658 176.0480 1070 G 3.8488 9.4357 111.4204 48.1886 0.0000 174.3186 1071 L 4.2967 7.7655 122.5097 55.2252 43.1569 176.0211 1072 R 4.8829 8.0708 119.9928 54.5141 32.4237 174.5891 1073 V 3.7664 8.4679 121.7557 63.3543 31.4139 175.6949 1074 E 4.2646 8.8593 127.7263 56.8802 30.2974 175.9805 1075 N 4.5319 7.8610 115.3679 53.6300 39.1671 175.1387 1076 K 4.0884 8.4446 120.3150 58.8680 32.6173 177.4487 1077 E 4.1695 7.8873 117.1395 56.1364 30.0060 176.9654 1078 K 4.1450 8.4049 119.1711 58.4593 32.4556 177.6718 1079 Q 4.6113 7.5554 113.7952 54.5929 31.6660 174.3965 1080 C 4.5211 8.3287 115.0383 60.0135 28.5555 175.0026 1081 S 4.5039 7.8297 115.7117 56.1367 62.7812 173.3384 1082 S 4.1925 8.5334 124.2157 59.9647 63.2107 174.0867 1083 E 5.0372 7.6592 116.4265 53.7745 32.3444 175.1611 1084 W 4.5653 8.7353 120.5944 55.5840 30.2062 177.6026 1085 S 4.4409 8.9282 112.4259 59.9321 62.1873 174.2823 1086 D 4.8001 8.3786 119.2688 53.0004 39.8851 175.9929 1087 G 4.1504 8.6034 109.8133 45.4954 0.0000 174.5155 1088 S 4.2772 9.1506 116.0431 58.6805 63.7118 174.5695 1089 S 4.6850 8.8335 121.3360 58.3985 63.4209 174.2064 1090 V 3.7571 8.8767 125.9975 63.2571 31.1641 174.0485 1091 S 4.4537 9.1237 120.6090 59.5891 65.1850 173.7950 1092 Y 4.4905 8.0460 131.4996 55.6767 38.0026 174.3622 1093 E 4.4965 8.2238 124.6384 54.5107 32.5900 175.2603 1094 N 4.8478 7.8066 116.2086 52.5220 39.1445 175.0064 1095 V 3.5329 7.8847 117.8467 62.6764 32.3981 176.0305 1096 V 3.7439 8.5544 126.5215 63.0793 30.0761 176.9459 1097 E 3.5465 7.6529 125.1373 58.9749 30.6678 178.6984 1098 R 3.0895 7.1992 115.7835 54.7808 27.5450 176.0892 1099 T 4.2708 6.5754 111.6088 64.6971 75.9347 174.4814 1100 V 3.7031 7.7824 123.2054 62.2317 31.3755 175.0314 1101 K 4.6261 8.2312 127.5399 54.1264 31.4597 175.5693 1102 K 4.4262 8.0863 119.6952 55.7882 34.0437 175.7668 1103 C 4.5646 7.6272 117.3078 54.8149 42.3502 172.6750 1104 F 5.5146 8.4167 119.7603 55.9325 41.3514 174.7218 1105 A 5.4939 9.3184 123.7007 50.4538 23.5029 174.5403 1106 L 5.1705 9.7711 120.3643 53.8325 43.3291 176.5733 1107 E 4.4819 9.1908 125.6900 56.1314 30.6895 177.4979 1108 K 2.0000 8.9515 128.8261 58.7089 31.6523 176.4417 1109 D 4.3340 7.5269 117.6542 55.7692 41.3066 177.3727 1110 L 3.5181 8.1601 125.7410 54.5850 42.3992 174.7916 1111 G 4.1227 8.1707 106.9251 46.7147 0.0000 173.8691 1112 F 4.5326 7.2464 114.8863 58.1766 36.6383 176.8959 1113 V 4.2861 7.7836 119.3186 63.6700 34.1235 175.2988 1114 L 4.4767 7.6654 118.4955 53.7187 43.3036 176.3597 1115 W 5.6958 8.4673 121.3988 56.2418 31.2620 175.3994 1116 I 4.8823 8.8964 120.8618 60.0435 41.4287 172.8790 1117 N 4.6856 8.5917 125.4954 51.4866 38.7590 173.8837 1118 L 4.7763 8.7588 121.2343 52.5158 47.0874 175.2247 1119 Y 5.0273 8.5162 119.8148 57.5045 38.4866 176.6541 1120 C 3.8330 9.1201 126.4519 60.0851 40.5802 176.6394 1121 A 3.5504 7.0647 121.1620 54.7002 18.1557 177.6484 1122 Q 3.9140 8.0494 117.7525 57.1836 30.0845 176.6201 1123 K 4.6940 8.7614 126.0450 55.7185 32.5480 175.4987 1124 N 5.2238 9.1187 122.3654 50.2849 43.4901 172.5514 1125 P 5.1515 0.0000 0.0000 62.8977 33.6094 174.3318 1126 F 5.2973 7.5014 114.2592 55.7535 42.2332 173.0658 1127 V 4.8611 8.5319 116.3623 61.5670 34.2220 174.0378 1128 C 5.5343 9.7159 125.5539 55.8251 39.8731 172.5998 1129 K 5.5201 9.4564 121.8405 55.2627 35.6836 175.0995 1130 S 4.9899 8.8284 119.2720 56.5422 66.5189 172.0863 1131 P 4.9583 0.0000 0.0000 61.4279 32.3889 174.1710 1132 P 4.0644 0.0000 0.0000 62.6305 31.2957 174.3565 1133 P 4.2949 0.0000 0.0000 63.0055 30.9791 175.9641 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 D 8.36 4.56 0.00 2.66 2.57 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 0.00 0.00 0.00 0.00 1002 C 8.40 4.40 0.00 3.19 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 1003 P 0.00 4.21 0.00 1.97 1.97 0.00 3.49 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.20 0.00 1004 S 8.55 4.12 0.00 3.91 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 1005 G 9.38 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 0.00 0.00 0.00 0.00 1006 W 8.01 4.90 0.00 3.27 3.37 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 1007 S 9.01 5.06 0.00 4.09 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1008 S 8.78 5.66 0.00 4.04 3.96 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 1009 Y 9.11 4.17 0.00 1.43 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1010 E 8.82 3.43 0.00 1.52 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 2.07 2.21 0.00 1011 G 8.04 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1012 N 7.79 5.04 0.00 2.93 2.16 0.00 0.00 6.94 7.54 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 1013 C 9.45 5.51 0.00 2.86 3.12 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 1014 Y 9.52 5.71 0.00 3.14 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 1015 K 8.78 4.27 0.00 0.79 0.74 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.52 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.37 7.81 1016 F 8.31 4.75 0.00 2.83 2.65 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 1017 F 7.52 3.93 0.00 1.51 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 0.00 0.00 0.00 1018 Q 7.92 4.09 0.00 2.13 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.90 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 1019 Q 7.21 4.25 0.00 1.90 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.77 0.00 0.00 0.00 0.00 0.00 2.23 2.37 0.00 1020 K 8.66 4.35 0.00 1.70 1.86 0.00 1.76 0.00 0.00 1.72 0.00 0.00 2.72 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.48 7.81 1021 M 9.12 5.07 0.00 1.81 1.70 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.43 0.00 1022 N 8.54 5.93 0.00 3.02 3.15 0.00 0.00 6.33 8.88 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 1023 W 7.96 2.54 0.00 1.78 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 1024 A 7.64 3.64 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 1025 D 7.70 4.20 0.00 2.68 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 1026 A 7.36 2.93 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1027 E 6.95 3.46 0.00 1.16 1.48 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 1.94 2.13 0.00 1028 R 7.31 4.05 0.00 1.77 1.77 0.00 3.13 0.00 0.00 3.15 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.46 0.00 1029 F 7.67 3.79 0.00 3.00 2.90 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 1030 C 8.67 4.59 0.00 3.16 3.29 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 0.00 1031 S 8.21 4.46 0.00 3.90 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 1032 E 8.04 3.82 0.00 1.72 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 2.24 2.20 0.00 1033 Q 7.69 3.94 0.00 1.98 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.65 0.00 0.00 0.00 0.00 0.00 2.69 3.07 0.00 1034 A 7.04 4.26 0.93 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 1035 K 8.44 4.06 0.00 1.79 1.65 0.00 1.82 0.00 0.00 1.71 0.00 0.00 2.74 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.36 1.02 7.81 1036 G 8.93 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 1037 G 8.21 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 0.00 0.00 0.00 1038 H 8.79 5.30 0.00 3.12 3.15 0.00 5.62 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1039 L 8.96 4.72 0.00 1.57 1.67 0.21 1.15 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 1040 V 9.00 4.01 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 1.33 0.00 0.00 1041 S 8.90 4.94 0.00 4.04 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 1042 I 8.18 4.55 2.49 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.26 1.16 0.00 0.00 1043 K 9.88 4.20 0.00 1.95 1.92 0.00 1.75 0.00 0.00 1.76 0.00 0.00 2.99 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.53 1.49 7.81 1044 I 7.44 3.23 1.48 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.62 -0.80 0.00 0.00 1045 Y 6.56 4.86 0.00 3.02 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1046 S 7.86 4.67 0.00 4.10 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1047 K 8.53 4.03 0.00 1.99 2.28 0.00 2.00 0.00 0.00 1.82 0.00 0.00 3.14 0.00 0.00 3.34 0.00 0.00 0.00 0.00 1.64 1.66 7.81 1048 E 8.37 3.20 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 2.48 2.32 0.00 1049 K 8.21 3.93 0.00 1.93 1.96 0.00 1.64 0.00 0.00 1.59 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.56 7.81 1050 D 8.07 4.30 0.00 2.91 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 1051 F 8.71 3.71 0.00 2.41 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.36 3.50 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 1.02 0.00 0.00 0.92 0.00 0.00 1053 G 7.87 3.60 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 0.00 0.00 0.00 1054 D 8.50 4.21 0.00 2.57 2.48 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 1055 L 7.42 3.53 0.00 0.91 1.51 0.69 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 1056 V 8.16 3.06 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 -0.17 0.00 0.00 0.85 0.00 0.00 1057 T 7.21 3.87 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 1.21 0.00 0.00 1058 K 7.71 4.17 0.00 1.78 1.79 0.00 1.42 0.00 0.00 1.55 0.00 0.00 3.03 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.57 1.31 7.81 1059 N 7.95 4.39 0.00 2.43 2.35 0.00 0.00 6.87 7.84 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 1060 I 7.54 2.86 0.63 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.99 0.57 0.00 0.00 1061 Q 6.95 3.11 0.00 2.25 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.46 0.00 0.00 0.00 0.00 0.00 2.29 2.24 0.00 1062 S 7.57 4.55 0.00 3.83 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1063 S 8.74 4.65 0.00 3.93 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 1064 D 7.83 4.57 0.00 2.74 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 1065 L 8.20 4.55 0.00 0.27 0.96 0.69 0.67 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 1066 Y 8.04 6.27 0.00 2.60 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1067 A 8.66 4.87 1.23 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 0.00 0.00 0.00 1068 W 9.21 5.32 0.00 3.45 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 1069 I 9.32 4.78 2.05 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.77 1.08 0.00 0.00 1070 G 9.44 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 0.00 0.00 0.00 1071 L 7.77 4.30 0.00 1.41 1.15 0.70 -0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 1072 R 8.07 4.88 0.00 0.98 0.67 0.00 2.37 0.00 0.00 3.04 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.38 0.00 1073 V 8.47 3.77 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 0.72 0.00 0.00 0.94 0.00 0.00 1074 E 8.86 4.26 0.00 1.93 1.92 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 2.22 2.25 0.00 1075 N 7.86 4.53 0.00 2.72 2.85 0.00 0.00 6.99 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 1076 K 8.44 4.09 0.00 1.70 1.84 0.00 1.63 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.42 1.50 7.81 1077 E 7.89 4.17 0.00 1.94 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 2.26 2.35 0.00 1078 K 8.40 4.14 0.00 1.66 1.78 0.00 1.79 0.00 0.00 1.77 0.00 0.00 3.10 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.38 1.36 7.81 1079 Q 7.56 4.61 0.00 1.97 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 7.55 0.00 0.00 0.00 0.00 0.00 2.04 2.26 0.00 1080 C 8.33 4.52 0.00 2.94 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 1081 S 7.83 4.50 0.00 3.68 3.68 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 1082 S 8.53 4.19 0.00 4.01 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 1083 E 7.66 5.04 0.00 2.10 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 2.15 2.24 0.00 1084 W 8.74 4.57 0.00 3.65 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 1085 S 8.93 4.44 0.00 4.04 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1086 D 8.38 4.80 0.00 2.78 2.79 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 1087 G 8.60 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 0.00 0.00 0.00 1088 S 9.15 4.28 0.00 3.95 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 1089 S 8.83 4.68 0.00 3.84 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1090 V 8.88 3.76 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 0.56 0.00 0.00 0.07 0.00 0.00 1091 S 9.12 4.45 0.00 4.06 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 1092 Y 8.05 4.49 0.00 2.92 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 1093 E 8.22 4.50 0.00 1.87 1.71 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 2.06 2.22 0.00 1094 N 7.81 4.85 0.00 2.24 2.59 0.00 0.00 6.97 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 1095 V 7.88 3.53 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 0.68 0.00 0.00 0.81 0.00 0.00 1096 V 8.55 3.74 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 0.78 0.00 0.00 0.89 0.00 0.00 1097 E 7.65 3.55 0.00 1.98 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 2.35 2.29 0.00 1098 R 7.20 3.09 0.00 1.51 1.66 0.00 3.06 0.00 0.00 3.20 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.50 0.00 1099 T 6.58 4.27 4.44 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 1.12 0.00 0.00 1100 V 7.78 3.70 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 1.00 0.00 0.00 0.89 0.00 0.00 1101 K 8.23 4.63 0.00 1.64 1.73 0.00 1.75 0.00 0.00 0.61 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.31 1.52 7.81 1102 K 8.09 4.43 0.00 1.51 1.59 0.00 1.53 0.00 0.00 1.75 0.00 0.00 2.73 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.33 1.33 7.81 1103 C 7.63 4.56 0.00 2.33 1.64 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 1104 F 8.42 5.51 0.00 3.13 2.90 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 1105 A 9.32 5.49 1.21 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 1106 L 9.77 5.17 0.00 1.89 2.05 1.19 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 1107 E 9.19 4.48 0.00 2.37 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 2.33 2.48 0.00 1108 K 8.95 2.00 0.00 1.49 1.42 0.00 1.76 0.00 0.00 1.41 0.00 0.00 2.77 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.09 1.17 7.81 1109 D 7.53 4.33 0.00 2.58 2.45 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 1110 L 8.16 3.52 0.00 1.70 1.75 0.88 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 1111 G 8.17 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 1112 F 7.25 4.53 0.00 3.46 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 1113 V 7.78 4.29 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 0.83 0.00 0.00 0.96 0.00 0.00 1114 L 7.67 4.48 0.00 1.82 1.59 0.91 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 1115 W 8.47 5.70 0.00 3.41 3.20 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 0.00 1116 I 8.90 4.88 2.04 0.00 0.00 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 1.25 1.50 1.11 0.00 0.00 1117 N 8.59 4.69 0.00 2.29 1.42 0.00 0.00 5.86 7.79 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 1118 L 8.76 4.78 0.00 1.61 1.44 -0.25 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 1119 Y 8.52 5.03 0.00 2.87 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 1120 C 9.12 3.83 0.00 2.95 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 1121 A 7.06 3.55 0.20 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 0.00 0.00 0.00 1122 Q 8.05 3.91 0.00 2.15 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.83 0.00 0.00 0.00 0.00 0.00 2.28 2.35 0.00 1123 K 8.76 4.69 0.00 1.71 1.82 0.00 1.76 0.00 0.00 1.88 0.00 0.00 2.95 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.49 7.81 1124 N 9.12 5.22 0.00 1.81 2.61 0.00 0.00 6.49 7.58 0.00 0.00 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 P 0.00 5.15 0.00 1.82 2.09 0.00 3.77 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.23 0.00 1126 F 7.50 5.30 0.00 3.13 3.33 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 0.00 1127 V 8.53 4.86 2.28 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 1.23 0.00 0.00 1.09 0.00 0.00 1128 C 9.72 5.53 0.00 3.27 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1129 K 9.46 5.52 0.00 1.92 1.69 0.00 1.91 0.00 0.00 1.78 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.15 0.51 7.81 1130 S 8.83 4.99 0.00 3.81 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 1131 P 0.00 4.96 0.00 2.05 2.06 0.00 3.85 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.93 0.00 1132 P 0.00 4.06 0.00 2.15 2.23 0.00 3.71 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.96 0.00 1133 P 0.00 4.29 0.00 2.09 1.91 0.00 3.83 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.80 0.00