NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 978 I 4.0360 8.0249 121.4541 62.0481 38.4255 172.6050 979 V 3.6802 8.3755 122.2785 59.9127 29.0233 170.3205 980 S 4.6244 7.8744 120.0653 56.7726 64.8296 174.1772 981 R 4.2238 8.1582 118.9042 55.2432 29.9842 175.8233 982 D 4.8749 7.3993 120.9155 54.2047 44.2562 176.8168 983 I 3.7790 8.3674 121.0620 62.3633 38.0202 176.7565 984 A 2.9435 7.7855 123.3607 51.4144 18.9282 177.3396 985 R 3.8462 8.5938 113.3126 56.9642 28.2797 177.4707 986 G 3.9833 8.6755 104.4818 45.6761 0.0000 175.0838 987 Y 3.8556 8.0875 117.8942 60.3405 38.0524 176.0647 988 E 4.5464 7.8954 118.2383 55.1211 31.0540 176.3642 989 R 4.1806 8.4648 118.2453 58.0726 30.4510 177.3217 990 I 4.6567 7.3579 109.7908 57.7807 40.3384 173.3800 991 P 4.5475 0.0000 0.0000 62.9587 32.0543 176.1956 992 I 4.3462 8.5089 122.1468 58.8517 38.6903 173.5416 993 P 4.8816 0.0000 0.0000 62.5030 33.4106 175.9029 994 C 5.2072 8.8761 120.1566 55.3809 40.8996 172.9604 995 V 4.9211 8.8347 119.5113 59.6213 34.9372 174.5384 996 N 4.8958 9.0579 122.6455 51.4047 39.9789 173.7043 997 A 4.7704 8.3414 131.8296 51.3473 19.5849 177.9409 998 V 4.3811 7.2571 118.2281 64.3479 36.3096 178.3248 999 D 4.8736 7.8338 128.0817 52.9460 41.1985 177.1781 1000 S 4.6698 8.2398 109.4077 58.1071 63.5382 173.8661 1001 E 4.2379 9.2827 124.0299 55.6299 29.5467 174.1275 1002 P 4.3873 0.0000 0.0000 62.6399 31.8599 176.2895 1003 C 3.2805 9.1272 119.6008 56.8841 40.0795 171.6992 1004 P 4.3775 0.0000 0.0000 62.2590 31.7283 176.8941 1005 S 4.4030 8.3952 116.1828 58.1018 63.0125 173.9159 1006 N 4.9927 8.1321 116.7537 52.8443 37.5961 173.0222 1007 Y 4.6919 7.1351 114.6267 57.2567 41.4636 173.1320 1008 K 4.2567 9.6800 121.8921 54.5324 34.3128 174.2672 1009 Y 5.4240 8.4140 129.4151 56.9701 38.7551 174.7601 1010 V 4.5090 7.6055 119.8214 59.4732 34.6950 176.8890 1011 S 4.2377 9.0759 119.2581 60.1535 63.6543 173.8195 1012 Q 4.6064 7.3159 119.2994 54.0636 32.8801 174.1631 1013 N 5.0257 8.6857 119.0057 53.4639 39.8746 173.8734 1014 C 4.7072 8.1885 115.7595 58.0087 31.4720 176.1174 1015 V 3.4605 8.8065 125.8582 64.6349 32.5193 178.5242 1016 T 3.2793 8.6542 114.0145 61.7899 66.3715 176.5437 1017 S 4.7164 8.5178 117.1434 58.5825 67.7535 177.0592 1018 P 4.5091 0.0000 0.0000 64.2403 31.2592 178.7111 1019 M 3.0108 8.1524 118.4686 56.2879 29.5854 180.3818 1020 N 4.4832 7.9730 114.4666 54.1426 40.8408 170.9640 1021 I 4.5526 7.7698 114.6454 61.6057 40.5809 174.3650 1022 D 4.5273 8.9212 117.5134 55.3242 38.4028 172.9593 1023 R 4.5820 7.9500 131.8115 59.2088 29.4723 181.6904 1024 N 4.2129 9.5160 127.1597 59.3036 37.0302 177.3428 1025 I 3.9829 7.7133 118.7865 65.7265 35.7277 182.5264 1026 T 4.3667 8.2251 109.2632 63.5394 68.1813 175.2645 1027 H 4.8410 8.0494 120.9948 57.1783 28.3944 176.8854 1028 L 4.4668 8.1401 122.5735 55.5009 41.7357 179.7780 1029 Q 4.3936 7.9282 117.9324 55.4215 29.0170 174.3907 1030 Y 4.6401 7.6047 118.8207 56.3916 40.2393 172.6854 1031 C 4.7183 8.2332 115.2315 56.6685 32.5132 173.8470 1032 V 4.6631 7.7628 111.2857 61.1141 32.0370 176.3166 1033 C 4.4401 8.0967 116.5045 59.8755 28.8399 173.8942 1034 I 4.6422 8.2639 115.0657 60.5282 38.2796 175.3572 1035 D 4.9245 7.8935 121.6521 53.8234 40.0522 175.8947 1036 D 4.8699 8.5413 118.4717 52.9044 40.1436 175.9288 1037 C 4.1676 7.7860 113.5461 61.9849 25.8757 174.1044 1038 S 4.5141 7.9555 115.3280 59.7987 64.1135 175.6149 1039 S 4.2953 7.9175 113.6724 58.5355 62.9057 174.0792 1040 S 4.4756 8.4118 113.4734 58.9066 63.1995 174.3123 1041 N 4.5443 7.8284 117.4817 53.3129 38.9616 174.2224 1042 C 4.0964 7.8160 119.5751 59.8065 30.9206 173.7331 1043 M 4.1457 8.5348 126.7067 57.0798 31.2928 177.0520 1044 C 4.5277 7.7516 117.1481 61.6488 29.0743 176.0212 1045 G 3.4398 7.9395 106.3652 47.3946 0.0000 175.7401 1046 Q 4.0412 8.1367 120.6702 58.9312 28.6107 178.3786 1047 L 4.0300 7.3258 120.5625 57.7566 41.6201 179.4987 1048 S 4.8166 7.6921 118.5553 61.9782 62.7084 180.2410 1049 M 5.1473 8.7655 122.0502 54.4533 32.4647 181.3192 1050 R 4.6299 8.3148 119.0315 57.7766 33.4541 177.2525 1051 C 4.1350 8.6173 117.6703 57.8773 25.2966 170.1680 *1068 P 4.3491 0.0000 0.0000 63.4169 32.3380 174.5248 1069 P 4.0086 0.0000 0.0000 59.8948 33.4935 174.3260 1070 L 4.0039 7.8180 118.9976 53.7582 42.9725 177.0623 1071 I 4.5035 7.6550 118.5917 60.5692 42.0559 173.7789 1072 F 5.2771 9.0890 125.4190 55.8185 41.1464 174.7825 1073 E 4.9516 9.1187 122.8250 54.5700 31.9202 175.8536 1074 C 4.6293 8.4634 119.6641 60.2585 29.3695 172.7580 1075 N 5.0816 8.4295 117.3666 51.6083 40.0543 174.5842 1076 H 4.2645 9.0011 112.5148 58.0348 28.5414 176.3657 1077 A 3.8724 8.4495 123.3183 54.5278 18.4701 177.5284 1078 C 4.7086 7.9540 112.9113 60.4845 28.6522 173.8065 1079 S 4.5561 8.4606 116.3357 59.4840 63.1604 174.8373 1080 C 4.5631 7.9320 114.6217 57.6007 30.3386 172.8968 1081 W 4.4778 8.5874 119.3259 55.6273 29.5804 177.7852 1082 R 4.0025 8.6031 121.5610 58.9127 29.4361 176.6687 1083 N 5.0205 8.1521 113.9355 52.5492 37.8845 174.7040 1084 C 4.4684 7.9982 113.9245 58.9547 30.3920 173.9696 1085 R 4.4110 8.7445 118.1668 56.8788 29.4482 176.7591 1086 N 5.0606 8.0391 117.4584 53.7237 39.2694 175.4595 1087 R 4.5531 7.8065 112.0134 55.4841 32.0338 177.2638 1088 V 3.5223 7.6530 119.3234 66.1326 32.3120 177.8381 1089 V 2.0000 8.1828 119.9731 65.6174 31.2060 177.7758 1090 Q 4.1885 7.7375 114.2434 57.6292 28.4181 176.1703 1091 N 4.5097 7.8555 116.0217 52.8500 38.5602 176.0305 1092 G 4.0305 7.7536 109.2020 44.0029 0.0000 173.4297 1093 L 4.1867 8.3248 120.2865 55.2375 42.4293 176.4519 1094 R 4.5602 8.2958 121.2735 55.5305 32.1157 174.9528 1095 A 4.2061 7.8532 120.0742 52.0860 19.3047 177.6307 1096 R 4.3157 8.3534 121.0485 55.5757 30.2072 176.0364 1097 L 5.0299 8.1605 123.8220 53.4702 44.7646 175.8138 1098 Q 4.4433 8.6676 120.6989 54.8038 32.8607 173.1523 1099 L 4.6562 8.8088 129.7816 55.1511 42.8633 175.0652 1100 Y 5.8393 9.6619 124.9764 54.2162 41.9065 174.9745 1101 R 4.0429 8.7395 121.2868 55.0297 30.1579 176.2316 1102 T 4.0724 8.2943 120.1263 61.7196 69.6078 175.9142 1103 R 4.0684 8.3563 120.3691 58.1269 29.9496 177.6829 1104 D 4.6858 7.9593 112.9075 56.1829 43.2158 175.9998 1105 M 4.3687 7.7524 116.3738 55.0807 33.1317 177.9326 1106 G 3.6790 7.6164 108.4413 46.2075 0.0000 175.0983 1107 W 4.7200 8.5768 124.5426 56.7997 30.0710 174.9964 1108 G 4.1835 9.3944 108.5383 44.2908 0.0000 171.7394 1109 V 5.3140 8.6574 119.4370 60.9700 34.5102 174.4276 1110 R 5.1302 8.8446 123.2577 54.3014 33.2163 174.3812 1111 S 4.7826 8.8212 115.2134 57.7927 63.7694 174.1791 1112 L 4.8841 8.7595 125.6310 54.6073 42.3721 175.4787 1113 Q 4.6362 8.1341 117.6150 54.6144 32.8339 173.4181 1114 D 4.9935 8.5824 118.8147 53.9115 42.1816 176.3992 1115 I 4.6269 8.6029 122.8655 58.8501 40.5186 173.7292 1116 P 4.8622 0.0000 0.0000 61.4457 32.1631 174.5028 1117 P 4.7982 0.0000 0.0000 62.7325 32.2766 175.7726 1118 G 4.1228 8.8698 108.2519 47.1486 0.0000 173.3449 1119 T 4.8677 8.4507 115.7806 61.1488 71.0337 174.3754 1120 F 3.7243 8.9416 127.6818 58.4112 39.7124 174.5449 1121 V 3.9523 6.6380 122.8197 63.4018 33.9530 175.3707 1122 C 4.4006 5.9570 112.7510 57.6696 31.0952 172.1511 1123 E 4.5813 8.5221 118.4723 54.8111 31.4531 175.7562 1124 Y 3.9825 7.6454 122.9154 56.7177 37.8562 173.6757 1125 V 3.8197 8.6940 125.7637 61.9837 33.4236 174.7860 1126 G 4.3016 8.1125 113.8365 45.8690 0.0000 170.5571 1127 E 4.9124 8.7784 118.9790 54.5455 32.2794 175.7429 1128 L 4.5038 8.4917 123.7201 54.7707 42.0074 175.8960 1129 I 4.8644 7.7046 120.1837 59.0870 40.6171 174.7240 1130 S 4.8396 8.0128 113.6678 56.4999 65.6922 174.4431 1131 D 4.3861 8.6134 120.1907 56.9680 41.4201 178.3372 1132 S 4.2858 8.0612 114.5520 61.6134 63.3678 175.9988 1133 E 3.9715 8.3345 123.0400 58.5307 28.9681 179.0818 1134 A 3.9879 7.9175 120.0938 55.4181 18.4843 178.6399 1135 D 4.4646 7.9532 113.9403 55.9117 41.4368 178.3003 1136 V 3.7327 8.1084 118.7508 65.4149 32.1427 176.1883 1137 R 4.0232 7.7366 118.9848 57.4196 30.6565 177.4156 1138 E 4.0288 8.9425 118.6581 58.5213 30.0971 174.6793 1139 E 4.3895 8.1143 123.0307 55.1846 29.0386 174.9605 1140 D 4.9220 8.3906 124.7983 53.1079 40.0735 178.0084 1141 S 4.5678 8.1602 114.8204 60.8110 63.0458 173.4181 1142 Y 4.8608 8.0391 118.7196 57.8593 38.5779 175.0406 1143 L 5.3950 8.1553 117.1848 52.7294 45.0423 177.2152 1144 F 4.2073 8.3008 122.7486 56.9475 41.5092 173.1986 1145 D 4.4702 8.4065 126.2535 54.8067 41.0671 175.8001 1146 L 4.1963 8.6812 121.2189 54.5091 41.9157 175.7138 1147 D 4.4147 7.8467 117.4016 54.8803 36.8582 175.6322 1148 N 4.6392 7.8445 121.1553 53.2106 37.1076 177.2174 1149 K 4.1550 8.3150 128.3725 57.3570 30.7491 179.0840 1150 D 4.8157 7.5436 117.0234 51.7640 41.0384 178.8662 1151 G 4.0071 8.5934 105.8022 48.4759 0.0000 175.2258 1152 E 3.9331 7.7410 115.4727 58.7855 29.7025 182.3232 1153 V 3.2552 8.6730 124.2681 63.1525 32.5764 170.9482 *1154 Y 4.6076 7.5869 120.5395 57.8591 41.6345 172.1176 1155 C 5.1095 8.0268 112.6196 60.9031 33.3611 173.4485 1156 I 4.6749 8.4518 120.5435 60.8702 40.7200 173.8905 1157 D 5.3950 8.9323 127.6108 52.0530 43.2001 176.4759 1158 A 5.6210 8.4889 128.9868 51.4601 19.0268 178.3511 1159 R 3.1023 8.9568 122.0743 60.3518 30.0709 177.0900 1160 F 4.6545 7.7503 115.0675 58.3307 41.3979 175.4951 1161 Y 4.9156 7.7100 115.9262 56.0792 41.1579 175.4277 1162 G 4.4149 8.2479 110.0771 46.1012 0.0000 171.3662 1163 N 4.2192 7.1357 117.4869 50.0757 39.9447 175.4011 1164 V 4.0450 8.8571 117.0098 64.7612 31.6348 178.1232 1165 S 4.3611 7.9758 116.8216 61.0844 62.8831 175.8173 1166 R 4.0853 7.4684 115.3377 57.4977 28.8671 177.0018 1167 F 4.9201 7.6693 116.0975 57.4499 39.8119 175.2899 1168 I 4.3312 7.7043 122.8167 61.0819 36.6589 175.8045 1169 N 5.1425 8.5977 123.0789 52.2241 40.3477 173.8695 1170 H 3.8562 7.6991 119.4095 55.7770 30.7765 173.4840 1171 H 4.5818 7.3794 119.5410 55.6768 32.2005 173.1700 1172 C 4.5120 8.5891 119.9911 60.2880 29.2152 173.5244 1173 E 4.8121 8.0259 118.5515 53.8717 29.8793 174.1717 1174 P 4.1960 0.0000 0.0000 63.9288 31.9559 175.7894 1175 N 5.3980 8.5835 116.8772 52.1590 38.6708 173.9009 1176 L 6.0380 8.1339 118.2289 52.5201 46.5441 175.6100 1177 V 4.8973 8.5494 121.6213 59.2653 34.8478 172.6269 1178 P 5.3866 0.0000 0.0000 62.5755 32.5626 175.3878 1179 V 4.5865 9.2241 123.4094 61.0277 34.5302 174.7592 1180 R 4.5577 8.4626 125.3914 56.0158 31.5399 175.5450 1181 V 4.7559 8.2120 121.4371 61.3431 35.4993 174.2162 1182 F 5.2154 8.5637 123.3215 56.3947 43.2180 173.3457 1183 M 4.4391 8.7610 124.5537 56.4349 37.6443 176.4393 1184 A 4.5903 8.0777 123.9367 51.7729 17.4871 177.7207 1185 H 5.5725 8.9021 113.9406 56.4420 29.4865 173.6538 1186 Q 4.0616 8.3429 122.2967 56.6830 28.6620 176.7840 1187 D 4.5512 8.8808 124.4344 53.8830 40.3870 174.2746 1188 L 4.5977 8.6751 122.9680 56.3838 41.0256 178.2879 1189 R 4.6692 7.5891 117.9065 56.9947 29.7880 182.9869 *1190 F 5.1340 7.3585 116.9745 57.0618 39.8044 174.7525 1191 P 4.1698 0.0000 0.0000 61.8500 32.8655 177.9262 1192 R 3.9565 8.0327 120.2131 56.3767 31.6714 175.9693 1193 I 4.5176 8.0336 122.6208 59.8084 38.9536 174.1386 1194 A 4.9080 8.7883 130.2868 50.1130 21.4280 175.4121 1195 F 5.5051 8.9286 121.7620 56.6706 41.0838 175.1216 1196 F 5.3425 9.2546 120.6710 55.2952 43.3298 174.5376 1197 S 4.9159 9.1035 117.9783 58.9512 63.8900 174.5992 1198 T 4.4987 8.9024 114.0331 61.9374 70.2646 174.4527 1199 R 4.6828 7.1117 117.3892 56.3685 33.2064 172.6092 1200 L 4.6553 8.7525 120.9863 55.2838 43.3155 177.3069 1201 I 4.6236 8.3533 126.5924 59.6037 39.5907 174.8800 1202 E 4.8358 9.5502 127.5452 55.1765 31.0945 176.4749 1203 A 4.5105 8.0595 125.8584 53.3532 18.7388 177.9406 1204 G 3.9692 9.2923 112.6919 45.0720 0.0000 173.7504 1205 E 4.1209 8.1817 121.6586 56.0022 30.7062 176.0356 1206 Q 4.6096 8.5829 127.2702 56.0645 30.0717 175.1928 1207 L 4.6725 9.1955 125.7609 54.5881 42.7257 176.3730 1208 G 4.4117 8.6472 106.5314 46.3997 0.0000 172.0957 1209 F 5.2361 8.0917 115.5941 54.0583 42.2091 173.3983 1210 D 4.7663 8.9567 119.2955 53.4169 40.6406 175.3790 1211 Y 3.8801 8.7476 126.2566 59.5401 38.3388 177.7668 1212 G 4.4226 8.8567 104.8963 45.0466 0.0000 174.4895 1213 E 4.3230 9.0513 119.7758 60.1094 29.4220 180.0552 1214 R 3.9357 8.1080 120.2899 61.6705 29.2801 179.6717 1215 F 4.0885 8.2789 120.8585 61.0591 39.2145 177.2209 1216 W 3.8914 7.8643 117.0569 59.7419 28.7540 177.9880 1217 D 3.8350 8.7580 117.1610 56.8534 40.5594 177.5183 1218 I 4.2951 7.1925 120.0308 61.6295 38.9000 176.7362 1219 K 4.1775 7.3609 119.0766 53.8278 33.7051 183.0065 1220 G 3.9078 8.7683 106.3925 48.0047 0.0000 174.3040 1221 K 4.5141 7.6817 118.5254 56.2052 32.1724 177.1429 1222 L 4.7131 7.2459 118.3743 54.3030 44.3919 176.1721 1223 F 4.6883 7.1159 111.3730 56.7537 39.6293 172.7717 1224 S 5.0291 8.7783 117.1939 56.9165 64.4860 173.8392 1225 C 4.5838 8.4560 123.8125 59.7961 31.5172 173.7880 1226 R 4.4792 8.6183 124.8658 55.8905 30.4578 176.6240 1227 C 3.8559 8.2111 114.1024 59.9759 29.2020 175.2625 1228 G 3.8424 8.1628 105.2807 45.5102 0.0000 173.1612 1229 S 4.2705 7.5481 114.2056 57.1277 62.8968 173.1827 1230 P 4.4692 0.0000 0.0000 64.2783 31.0967 176.8860 1231 K 4.5515 7.5154 117.0062 55.8211 33.0745 175.8304 1232 C 3.9987 8.1265 119.4944 60.3068 31.7090 173.7501 1233 R 4.5299 8.1756 120.1030 56.1232 31.5957 175.7661 1234 H 4.5653 7.4827 114.1046 55.4567 30.5255 173.5975 1235 S 4.2281 8.0018 120.0187 58.6292 62.9572 173.7858 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 978 I 8.02 4.04 1.91 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 1.55 1.10 1.00 0.00 0.00 979 V 8.38 3.68 2.21 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 0.82 0.00 0.00 0.95 0.00 0.00 980 S 7.87 4.62 0.00 3.76 3.61 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 0.00 981 R 8.16 4.22 0.00 1.93 1.99 0.00 3.17 0.00 0.00 3.13 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 982 D 7.40 4.87 0.00 2.75 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 983 I 8.37 3.78 1.90 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.45 0.77 0.00 0.00 984 A 7.79 2.94 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 985 R 8.59 3.85 0.00 2.07 2.09 0.00 3.17 0.00 0.00 3.15 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.47 0.00 986 G 8.68 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 987 Y 8.09 3.86 0.00 3.21 3.21 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 0.00 988 E 7.90 4.55 0.00 2.17 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 2.42 2.38 0.00 989 R 8.46 4.18 0.00 1.97 2.01 0.00 3.33 0.00 0.00 3.51 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 990 I 7.36 4.66 1.88 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 1.57 0.56 0.92 0.00 0.00 991 P 0.00 4.55 0.00 2.17 2.07 0.00 3.71 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 1.97 1.97 0.00 992 I 8.51 4.35 1.80 0.00 0.00 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 1.24 0.72 0.93 0.00 0.00 993 P 0.00 4.88 0.00 2.06 1.97 0.00 3.65 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.06 0.00 994 C 8.88 5.21 0.00 2.75 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 0.00 995 V 8.83 4.92 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 0.78 0.00 0.00 1.11 0.00 0.00 996 N 9.06 4.90 0.00 3.02 2.82 0.00 0.00 6.92 7.96 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 0.00 997 A 8.34 4.77 1.31 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 0.00 0.00 998 V 7.26 4.38 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 0.74 0.00 0.00 0.93 0.00 0.00 999 D 7.83 4.87 0.00 2.72 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 1000 S 8.24 4.67 0.00 3.95 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 1001 E 9.28 4.24 0.00 1.91 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 2.37 2.65 0.00 1002 P 0.00 4.39 0.00 2.26 2.11 0.00 3.96 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.04 0.00 1003 C 9.13 3.28 0.00 2.83 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 1004 P 0.00 4.38 0.00 2.25 2.23 0.00 2.67 0.00 0.00 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 2.32 0.00 1005 S 8.40 4.40 0.00 3.80 3.76 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.13 4.99 0.00 2.86 2.95 0.00 0.00 6.05 7.55 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 1007 Y 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.91 0.00 0.00 1016 T 8.65 3.28 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 1017 S 8.52 4.72 0.00 3.58 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 1018 P 0.00 4.51 0.00 2.03 2.11 0.00 3.96 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 2.02 2.08 0.00 1019 M 8.15 3.01 0.00 2.20 1.87 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.34 0.00 1020 N 7.97 4.48 0.00 2.73 2.59 0.00 0.00 6.25 7.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1021 I 7.77 4.55 1.88 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 1.29 1.13 0.92 0.00 0.00 1022 D 8.92 4.53 0.00 2.86 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 1023 R 7.95 4.58 0.00 1.81 1.10 0.00 3.26 0.00 0.00 3.37 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0.00 0.00 0.00 1040 S 8.41 4.48 0.00 3.99 4.01 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 1041 N 7.83 4.54 0.00 2.70 2.86 0.00 0.00 6.94 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 1042 C 7.82 4.10 0.00 2.96 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 M 8.53 4.15 0.00 1.84 2.06 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.54 0.00 1044 C 7.75 4.53 0.00 2.98 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 1045 G 7.94 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 0.00 0.00 0.00 1046 Q 8.14 4.04 0.00 2.04 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.75 0.00 0.00 0.00 0.00 0.00 2.51 2.50 0.00 1047 L 7.33 4.03 0.00 1.06 1.27 0.19 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 1048 S 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0.00 0.00 2.22 2.36 0.00 1179 V 9.22 4.59 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 1.00 0.00 0.00 0.95 0.00 0.00 1180 R 8.46 4.56 0.00 1.74 1.59 0.00 3.15 0.00 0.00 3.23 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.63 0.00 1181 V 8.21 4.76 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 0.88 0.00 0.00 0.93 0.00 0.00 1182 F 8.56 5.22 0.00 2.30 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 1183 M 8.76 4.44 0.00 2.25 2.17 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 2.39 2.49 0.00 1184 A 8.08 4.59 0.96 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 0.00 0.00 1185 H 8.90 5.57 0.00 3.13 3.26 0.00 5.79 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1186 Q 8.34 4.06 0.00 2.35 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 7.06 0.00 0.00 0.00 0.00 0.00 2.46 2.40 0.00 1187 D 8.88 4.55 0.00 2.60 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 1188 L 8.68 4.60 0.00 1.66 1.60 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 1189 R 7.59 4.67 0.00 1.83 1.81 0.00 3.32 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.43 0.00 *1190 F 7.36 5.13 0.00 2.28 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 0.00 0.00 0.00 0.00 1191 P 0.00 4.17 0.00 1.15 0.49 0.00 3.67 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 1.73 1.78 0.00 1192 R 8.03 3.96 0.00 1.55 1.84 0.00 3.02 0.00 0.00 3.07 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.47 0.00 1193 I 8.03 4.52 1.21 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.28 -0.04 0.00 0.00 1194 A 8.79 4.91 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 1195 F 8.93 5.51 0.00 2.91 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 1196 F 9.25 5.34 0.00 3.03 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 1197 S 9.10 4.92 0.00 4.09 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 1198 T 8.90 4.50 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 1.42 0.00 0.00 1199 R 7.11 4.68 0.00 1.86 2.08 0.00 2.96 0.00 0.00 3.27 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.54 0.00 1200 L 8.75 4.66 0.00 1.68 1.61 0.94 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 1201 I 8.35 4.62 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 1.23 0.83 0.97 0.00 0.00 1202 E 9.55 4.84 0.00 1.88 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 0.00 2.31 2.26 0.00 1203 A 8.06 4.51 1.25 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 0.00 0.00 0.00 1204 G 9.29 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 1205 E 8.18 4.12 0.00 2.11 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 2.29 2.24 0.00 1206 Q 8.58 4.61 0.00 2.29 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.72 0.00 0.00 0.00 0.00 0.00 2.48 2.85 0.00 1207 L 9.20 4.67 0.00 1.67 1.60 0.95 0.35 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 1208 G 8.65 4.41 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 0.00 1209 F 8.09 5.24 0.00 2.99 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 1210 D 8.96 4.77 0.00 2.76 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 1211 Y 8.75 3.88 0.00 2.65 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 0.00 0.00 0.00 0.00 1212 G 8.86 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1213 E 9.05 4.32 0.00 2.15 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.53 0.00 1214 R 8.11 3.94 0.00 1.81 1.98 0.00 3.27 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.30 0.00 1215 F 8.28 4.09 0.00 3.00 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 1216 W 7.86 3.89 0.00 3.57 3.18 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 0.00 0.00 0.00 0.00 1217 D 8.76 3.84 0.00 2.65 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 1218 I 7.19 4.30 1.79 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 1.30 0.86 0.81 0.00 0.00 1219 K 7.36 4.18 0.00 1.66 1.74 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.25 1.21 7.81 1220 G 8.77 3.91 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 0.00 0.00 0.00 1221 K 7.68 4.51 0.00 1.68 1.78 0.00 1.66 0.00 0.00 1.68 0.00 0.00 3.05 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.35 1.40 7.81 1222 L 7.25 4.71 0.00 1.55 1.71 0.89 0.92 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 1223 F 7.12 4.69 0.00 3.21 3.18 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 0.00 0.00 0.00 0.00 1224 S 8.78 5.03 0.00 3.97 3.86 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 1225 C 8.46 4.58 0.00 2.21 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 1226 R 8.62 4.48 0.00 1.84 1.93 0.00 3.53 0.00 0.00 3.28 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 1227 C 8.21 3.86 0.00 2.71 2.97 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 1228 G 8.16 3.84 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 0.00 0.00 0.00 1229 S 7.55 4.27 0.00 3.84 3.67 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 1230 P 0.00 4.47 0.00 2.07 2.08 0.00 3.85 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 1231 K 7.52 4.55 0.00 1.65 1.74 0.00 1.86 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.34 1.32 7.81 1232 C 8.13 4.00 0.00 2.94 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 1233 R 8.18 4.53 0.00 1.51 1.57 0.00 3.16 0.00 0.00 3.19 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.74 0.00 1234 H 7.48 4.57 0.00 1.92 2.22 0.00 5.81 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1235 S 8.00 4.23 0.00 3.93 3.78 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 * Residues marked with a * may have inaccurate shift predictions.