NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 842 T 4.2396 8.1749 115.2469 61.9131 68.5122 173.2184 843 Q 4.2572 8.3120 126.6722 54.3929 30.1234 174.8488 844 F 4.2456 9.2655 120.5485 55.4366 41.2641 174.8823 845 E 4.2694 9.6274 127.3102 56.0958 30.0480 177.5848 846 E 3.9312 9.0562 125.7058 59.5195 29.9801 179.3236 847 R 3.9742 8.0190 113.8545 59.0885 29.5787 176.6367 848 H 4.8012 8.1600 114.0918 55.4851 30.0399 174.6140 849 L 4.9128 8.0766 120.1299 53.8969 42.0861 176.2435 850 K 4.5473 8.9551 125.2309 54.6238 33.8773 176.3656 851 F 4.4857 9.0101 127.9796 58.8179 39.5545 173.4180 852 L 4.4558 7.8372 124.6689 55.8552 43.5144 176.7665 853 Q 4.2957 6.4309 115.3647 54.0343 33.2407 173.5867 854 Q 4.4181 8.9696 123.9831 56.8648 29.3482 175.5094 855 L 4.6208 8.9698 124.0816 54.9623 44.7992 176.7196 856 G 3.9255 7.1815 105.6097 45.7284 0.0000 170.9462 857 K 4.9254 8.3248 118.4336 53.9866 34.2671 175.6598 858 G 3.3645 8.6095 114.5499 47.4965 0.0000 176.0760 *861 G 3.7888 8.1134 108.9633 45.4445 0.0000 171.7475 862 S 5.3021 8.8554 113.2346 56.3797 66.7986 173.2475 863 V 4.9263 8.8543 121.0645 61.3124 33.9476 174.1911 864 E 5.1157 9.2313 126.8812 54.6972 33.8074 174.4277 865 M 4.6892 8.7680 123.1501 54.7926 33.6915 174.8166 866 C 5.1795 8.7833 122.6236 58.0059 33.5287 172.8005 867 R 4.8194 8.4985 121.6684 54.9865 31.6721 174.7997 868 Y 4.7605 9.0175 129.1583 57.0586 39.0467 173.5023 869 D 5.3740 8.3923 129.0378 51.7346 40.1271 174.6305 870 P 3.5842 0.0000 0.0000 64.2377 31.9919 178.0467 871 L 4.1714 7.6573 117.9929 54.3226 42.0720 176.8871 872 Q 3.7387 7.6538 116.4452 56.8276 26.7467 173.6378 873 D 4.8135 7.3501 113.9162 52.5970 39.7454 175.3262 874 N 4.2653 8.9573 115.7887 55.3547 36.1429 174.8410 875 T 4.4056 7.6741 104.5821 61.2811 69.3798 174.5535 876 G 4.4509 7.4904 109.4132 45.3694 0.0000 173.4174 877 E 4.2740 8.7148 121.6062 56.0356 30.8597 175.8988 878 V 4.3561 8.3636 126.9522 63.0084 32.6915 175.1331 879 V 4.7674 8.9813 119.8137 59.9158 37.0218 173.5283 880 A 5.2840 9.0483 122.8074 50.3187 21.8040 175.4830 881 V 4.7127 8.8693 122.4468 60.8935 34.3518 174.0357 882 K 5.1224 9.2485 130.2496 54.6413 34.1694 174.9890 883 K 5.0670 8.6372 125.9852 54.7864 36.1167 176.1278 884 L 4.0943 8.2268 121.4379 54.9731 42.3562 177.0253 885 Q 4.2030 8.3282 119.4203 57.6532 29.9203 176.2527 886 H 4.7384 7.4901 113.0786 53.5872 29.0394 172.5841 887 S 4.2564 8.0033 113.0665 58.5085 62.5292 175.0570 888 T 4.7463 8.0291 116.6319 59.1092 72.7850 174.0272 889 E 3.9260 8.8098 120.4301 59.9926 29.0351 179.1921 890 E 3.9119 8.0824 119.2507 59.5478 29.9558 178.4649 891 H 4.1931 7.7747 116.5382 58.5141 28.5912 177.6253 892 L 4.1556 8.3812 122.8752 57.9101 41.9405 178.7756 893 R 3.8978 7.8640 118.9490 59.4129 29.9167 178.2769 894 D 4.3426 7.9607 118.5348 57.4498 40.8891 178.5643 895 F 4.5045 8.3264 121.1676 61.1471 39.3645 176.7370 896 E 3.7542 8.5143 119.2869 59.3613 29.4583 179.0711 897 R 3.8433 8.0625 118.0558 59.1296 29.5892 178.5122 898 E 3.8457 8.3169 119.1835 59.4739 29.5079 179.0744 899 I 3.6325 7.5837 119.6381 64.3511 36.9856 178.2236 900 E 3.7953 7.9601 119.3309 59.3122 28.9863 179.3677 901 I 3.4267 7.4303 118.9498 64.1717 37.3620 177.7756 902 L 3.7627 7.8199 120.9598 58.1038 41.7448 178.8263 903 K 3.2479 7.6722 118.5424 59.1984 32.0074 177.9102 904 S 4.4947 7.4575 111.3706 57.7716 63.3719 173.5516 905 L 4.7084 7.5318 123.8627 53.3481 42.7128 176.0787 906 Q 4.4143 8.8883 122.8043 54.8816 31.0438 174.0976 907 H 4.4024 8.1405 120.4774 54.7076 32.5497 174.3342 908 D 4.4043 8.2742 124.7783 56.7810 40.9692 177.1695 909 N 5.1977 8.2481 115.2683 52.6659 39.4251 173.0726 910 I 5.2873 7.6401 118.9766 59.0211 40.0660 176.1075 911 V 3.9713 8.5585 126.6892 61.9421 32.2144 175.9874 912 K 4.3001 9.5807 124.0213 56.0981 33.1093 175.9285 913 Y 4.3195 8.8816 126.9370 58.0366 39.3166 176.1939 914 K 4.1704 8.9040 125.0910 55.3009 35.0949 176.4332 915 G 3.9374 5.3800 103.9652 45.1831 0.0000 171.1696 916 V 4.7550 8.0178 118.4969 60.9608 35.0033 174.7774 917 C 4.8483 8.8781 126.5467 57.9655 33.6993 172.4395 918 Y 5.0955 8.6981 123.8176 57.1835 39.6220 175.1046 919 S 4.4683 8.4141 111.2215 59.1425 69.3443 174.2398 *923 R 4.2835 7.8628 120.3549 56.1359 29.3768 174.2977 924 N 5.0162 8.6360 124.0655 51.9917 42.2471 172.7214 925 L 4.8945 8.7974 126.0682 53.0990 43.9636 175.9780 926 K 4.8174 8.4482 122.8632 54.4315 34.9730 175.0843 927 L 4.3495 9.0878 128.7397 54.6583 43.4924 175.3265 928 I 4.6500 8.1627 127.2572 59.8889 39.1861 174.7366 929 M 5.2777 8.9419 126.1094 52.7249 36.5828 174.7177 930 E 4.3092 8.5647 118.8866 57.1445 30.4683 175.8714 931 Y 4.4671 8.5508 123.2633 56.6281 40.1376 174.9002 932 L 4.2563 7.8775 127.6630 52.5787 41.5092 175.6814 933 P 3.9700 0.0000 0.0000 64.8434 31.4733 177.2158 934 Y 4.2077 7.8867 114.5260 56.9860 38.5797 177.6757 935 G 3.7679 7.6972 109.7309 45.6772 0.0000 172.8298 936 S 4.5748 8.3371 113.9161 57.9504 64.1327 175.7537 937 L 3.9208 8.7549 130.6476 58.1295 41.2918 179.2865 938 R 3.9155 7.7434 118.7255 59.6328 29.9335 178.2426 939 D 4.4512 8.0552 118.0393 57.2088 41.0733 177.9187 940 Y 3.9963 8.2964 120.2639 60.7320 38.4108 178.2489 941 L 4.0771 8.3969 120.1745 57.8425 41.4873 179.5287 942 Q 4.0986 7.6153 116.2878 58.7222 28.7033 178.6950 943 K 4.1100 8.0858 118.8016 59.3723 32.3423 179.4797 944 H 4.7901 8.5034 115.6403 59.0226 30.0183 180.2202 945 K 4.1917 7.1379 112.2779 58.2970 33.1197 175.7512 946 E 3.9101 8.7212 126.2531 56.8817 31.0477 177.1024 947 R 3.8195 7.9623 118.7896 58.7475 30.1006 175.9612 948 I 4.1464 7.2696 118.7767 60.0956 37.1948 175.8949 949 D 4.8103 8.2979 126.4172 52.4982 42.4628 176.6823 950 H 4.2629 8.6641 115.7364 59.1978 28.7035 178.1062 951 I 3.8116 7.7658 121.1811 63.8850 36.9479 178.3193 952 K 3.6661 7.8427 119.9406 59.4249 32.0756 178.9475 953 L 3.8741 7.5813 118.9088 57.6355 41.3181 179.4437 954 L 4.1925 7.8392 118.6340 57.1589 41.7420 178.9707 955 Q 3.9497 7.7154 119.5744 59.4892 28.9423 178.1482 956 Y 4.4554 7.6154 117.5661 61.3859 37.8526 178.4217 957 T 4.0775 8.2174 116.7431 66.9317 68.6358 176.3102 958 S 4.2037 8.3777 114.8339 61.6808 62.3790 176.3357 959 Q 4.0483 8.1484 120.1640 59.0097 28.5877 178.5924 960 I 3.7388 8.0432 120.8769 64.6199 37.1455 177.8060 961 C 3.8317 8.4488 119.3997 62.6231 31.3838 175.8593 962 K 4.0718 8.3561 120.0673 59.4501 31.6112 179.6085 963 G 3.5849 8.1429 106.0133 47.8990 0.0000 175.7404 964 M 3.8386 7.3296 119.6818 57.7522 32.2469 177.9787 965 E 4.0745 7.9725 119.6256 59.5378 29.9713 178.1948 966 Y 4.0493 7.9792 119.3350 60.7733 38.7040 177.8647 967 L 3.9208 8.0639 121.1528 57.9932 42.0714 179.1239 968 G 3.6367 7.9024 105.7184 47.3573 0.0000 175.5108 969 T 4.0111 7.3718 110.0770 63.2243 68.8321 175.6366 970 K 4.0475 7.1773 119.3189 54.8566 33.1866 175.5990 971 R 3.8190 7.7017 117.7454 57.5547 27.9803 175.5207 972 Y 5.2379 7.3119 113.7952 56.7465 39.9918 176.1528 973 I 4.7261 8.5638 122.7816 59.7375 39.7470 175.9091 974 H 3.9876 9.4263 126.0809 57.9675 29.7318 177.0193 975 R 4.0864 8.7676 113.7605 56.9371 28.1250 176.7908 976 D 4.6268 7.8172 115.5637 53.7712 41.9917 174.7489 977 L 3.9035 8.3203 119.9944 54.5146 42.6294 175.8116 978 A 4.4648 7.9802 125.4360 51.4329 21.5975 177.0093 979 T 4.0319 8.5649 111.9218 64.1949 68.9090 175.9981 980 R 4.3429 7.8648 116.7650 56.8614 29.8279 176.1130 981 N 4.8993 8.5029 115.5550 53.2227 40.4949 173.6573 982 I 4.8304 7.4569 120.9249 59.6816 39.6130 174.8248 983 L 5.1488 8.9681 125.4524 52.8507 46.2316 175.3331 984 V 4.3077 8.4640 120.8117 61.4291 33.0113 175.9875 985 E 3.9067 8.9657 129.9596 58.3318 30.1129 175.2761 986 N 3.5009 7.2960 113.2839 51.2466 39.7859 174.4796 987 E 3.9109 8.2563 117.5738 59.5473 29.3788 178.3121 988 N 4.9687 7.9180 112.5064 52.8521 39.0290 174.8266 989 R 4.6425 8.0450 119.9087 55.7912 33.4320 174.2182 990 V 4.8205 8.5504 119.4231 59.6130 35.0568 175.3439 991 K 4.7995 8.9172 120.6196 54.6273 37.1395 176.0028 992 I 4.0369 9.1035 125.3883 61.6900 37.6236 176.6810 993 G 4.1571 9.1328 113.9412 46.0228 0.0000 172.4940 994 D 4.9784 7.4575 118.2065 53.0238 44.5699 174.4529 995 F 4.7024 8.5909 121.2675 57.1640 40.7186 177.1564 996 G 3.7892 8.9401 113.0473 47.4984 0.0000 175.1099 997 L 4.6006 7.5718 116.4784 54.2788 43.1745 176.5647 998 T 4.3489 7.6865 117.1637 64.0277 69.4390 173.4464 999 K 4.7561 8.7961 124.0432 54.5647 36.3198 175.0089 1000 V 4.7645 8.1054 121.7533 61.1335 33.0155 175.6174 1001 L 4.3186 8.8873 128.6305 54.3003 41.8831 175.6748 1002 P 4.4862 0.0000 0.0000 62.1497 32.4045 176.8123 1003 Q 4.0004 8.8147 121.1210 58.9543 28.7157 177.4600 1004 D 4.8104 7.9937 112.9681 52.8252 40.7034 175.7632 1005 K 4.6435 7.4668 117.7665 55.1451 34.5025 175.4725 1006 E 4.4329 8.4661 118.3719 56.2330 29.7798 175.8559 *1009 K 4.0832 7.8970 119.4989 56.3218 32.7929 175.2753 1010 V 4.0967 8.2361 126.9226 61.2001 31.0646 175.3368 1011 K 4.0759 8.6825 129.5482 58.7242 32.2651 176.6401 1012 E 4.5524 7.7165 118.1723 53.4903 30.6500 173.1466 1013 P 4.5541 0.0000 0.0000 62.2903 33.1810 176.9833 1014 G 4.2317 7.9754 114.2853 44.9526 0.0000 175.2919 1015 E 3.9939 8.7733 126.2090 55.9916 29.9565 176.1809 1016 S 4.4873 8.2783 120.9554 56.1415 65.9623 173.4441 1017 P 4.5676 0.0000 0.0000 61.6897 29.3204 177.0177 1018 I 3.2044 7.1718 117.8381 64.4039 38.0443 178.9704 1019 F 4.2027 7.8525 117.7321 58.9013 38.7967 175.4999 1020 W 4.7898 8.5253 119.3292 56.5779 29.6910 175.6783 1021 Y 4.7489 8.0022 117.4401 56.9219 38.4127 175.5434 1022 A 2.0000 7.8619 126.3604 50.5390 19.4894 176.5749 1023 P 3.8948 0.0000 0.0000 65.6655 31.3760 179.1121 1024 E 3.8604 7.6382 116.8433 58.8785 29.3340 179.2084 1025 S 3.5597 7.3237 115.6893 60.9300 62.3925 176.6087 1026 L 3.9871 7.2295 120.8075 57.8957 41.8666 178.9980 1027 T 4.1169 7.9479 109.6613 63.7475 68.7855 175.7147 1028 E 4.5711 7.5081 116.8368 54.5855 31.9565 176.0180 1029 S 3.7987 7.9788 114.1720 59.1442 60.8164 170.3930 1030 K 4.4029 7.6357 120.1042 55.6621 32.2524 176.3643 1031 F 4.7115 8.6391 122.7802 55.5428 41.7568 174.6315 1032 S 4.7094 8.7191 118.3725 55.7155 66.4370 175.0528 1033 V 3.7505 8.8040 119.4179 66.5981 31.0378 177.7361 1034 A 4.0594 7.7010 120.6224 54.9103 18.0392 179.3867 1035 S 4.4144 8.2189 112.3395 60.8587 63.3558 176.4578 1036 D 4.6818 8.3234 122.7727 57.2460 40.6728 178.4090 1037 V 3.3771 8.0770 118.9212 65.6786 31.5221 177.5389 1038 W 4.6955 8.1850 129.0888 60.3026 30.5217 178.0451 1039 S 4.7210 8.5721 114.8045 61.8196 62.2235 176.4566 1040 F 4.5567 9.0429 123.7413 61.2769 39.1617 177.4061 1041 G 3.3549 8.3656 105.5068 47.8171 0.0000 175.8712 1042 V 3.9724 8.2309 120.4760 65.6774 31.4054 178.3585 1043 V 4.0545 8.1792 118.2529 65.9847 31.4789 177.6979 1044 L 3.9040 8.0104 120.4945 58.2008 41.7513 178.3482 1045 Y 4.1076 8.2066 119.4503 60.7756 38.7322 177.7748 1046 E 4.0725 8.6445 119.4922 59.5062 29.6009 179.2342 1047 L 3.8340 8.1412 118.9260 58.0261 41.6106 179.4789 1048 F 3.6753 7.8010 114.1670 58.8035 39.3645 176.8029 1049 T 4.2244 7.4565 108.7577 60.9206 68.8373 174.5446 1050 Y 3.4370 7.5755 118.1442 59.4768 35.9300 169.6507 1051 I 3.3766 7.5896 116.1961 61.8445 35.8318 174.0058 1052 E 4.0645 8.0164 121.1997 56.0734 29.4510 177.8672 1053 K 4.1457 8.7828 126.1821 59.6756 33.0514 179.0520 1054 S 4.2344 8.1050 112.8032 59.9347 63.2311 174.6483 1055 K 4.4825 7.7307 119.1081 55.8942 32.6431 177.1175 1056 S 4.4556 7.5333 115.0208 57.7596 64.6536 173.3137 1057 P 3.7258 0.0000 0.0000 65.3165 31.0185 177.1133 1058 P 2.9700 0.0000 0.0000 64.8948 31.3085 178.2802 1059 A 3.8605 7.4655 119.5415 55.3478 18.4089 179.6310 1060 E 3.7458 8.0881 116.9729 59.5053 29.4447 179.6732 1061 F 4.1653 7.8506 117.8978 60.7062 38.9313 177.4801 1062 M 4.0853 7.8709 118.3719 58.4519 31.5359 178.6241 1063 R 3.8462 7.5651 117.0959 59.9282 30.3733 177.8827 1064 M 4.1627 7.6419 116.8940 58.1172 32.1309 178.0537 1065 I 4.2752 7.9993 110.3811 59.7584 38.9077 176.1701 1066 G 3.9834 7.7963 109.8184 47.3081 0.0000 174.4333 1067 N 4.4846 8.6393 121.8372 55.5766 38.8532 175.4807 1068 D 4.6037 8.0082 116.7963 53.7976 40.0517 175.9421 1069 K 4.4107 7.7340 120.5658 56.2172 32.9945 176.2766 1070 Q 4.6211 8.2482 120.4416 54.9896 33.9619 175.7738 1071 G 3.8231 8.7334 108.9542 46.2688 0.0000 175.7890 1072 Q 4.0694 8.7602 117.0518 59.5300 28.7076 179.3753 1073 M 4.1800 7.9867 118.6075 58.2866 31.7322 178.5574 1074 I 3.7753 7.9216 120.1238 64.3147 37.3053 178.4967 1075 V 3.4701 7.7492 118.4301 65.9282 31.5715 177.2962 1076 F 4.0481 8.1250 120.2426 62.0877 39.2198 176.9822 1077 H 4.1581 8.6797 115.5506 58.4652 28.4318 177.6363 1078 L 3.9897 8.2541 122.6730 57.9460 41.7830 178.9804 1079 I 3.5288 7.6283 119.7462 64.3681 36.9754 177.9893 1080 E 3.7643 7.6095 118.7979 59.3503 29.3095 178.9323 1081 L 3.9381 8.2849 120.4073 58.5495 42.0403 179.2340 1082 L 4.0982 8.1031 118.5904 57.7758 41.3954 179.4263 1083 K 3.9138 8.1155 117.7120 58.9074 31.9024 177.8826 1084 N 4.8785 7.5094 114.4365 52.7302 39.2475 175.0725 1085 N 4.3876 8.2824 115.6007 53.6105 36.6896 174.6121 1086 G 3.7015 8.0406 108.2977 46.0659 0.0000 173.6723 1087 R 4.6014 8.1509 122.9653 53.4555 34.0333 175.3035 1088 L 3.5508 7.3367 119.3167 53.8675 41.9167 175.8876 1089 P 4.4965 0.0000 0.0000 62.1398 31.9800 176.0235 1090 R 3.4192 8.0517 119.6449 55.3951 30.5001 174.6961 1091 P 4.2225 0.0000 0.0000 62.1387 31.9945 175.1880 1092 D 4.3715 8.4559 121.6259 56.0817 41.2356 176.5695 1093 G 3.9740 8.9891 114.8013 45.3777 0.0000 172.1860 1094 C 4.3263 7.6975 120.8789 57.5587 32.3583 171.6267 1095 P 4.4111 0.0000 0.0000 62.8481 31.8302 176.9092 1096 D 4.4224 8.6139 121.5687 57.7450 40.6272 179.5748 1097 E 3.9787 8.1237 116.9875 58.7298 29.7178 178.6591 1098 I 3.7738 7.4415 120.8768 63.9423 37.3921 177.4042 1099 Y 4.0061 7.6960 119.9663 60.7443 38.7194 177.3902 1100 M 3.7142 8.1506 119.9947 58.5880 32.0861 178.7476 1101 I 3.4979 7.0931 118.0140 64.6273 37.2982 178.1499 1102 M 3.1465 7.1471 119.6308 58.4577 31.4278 179.0917 1103 T 3.5421 6.5507 107.5939 64.4452 69.0020 176.2564 1104 E 3.9734 7.5188 120.7130 59.3793 29.6378 178.7483 1105 C 4.2567 7.6439 116.8455 61.7576 28.0752 174.3036 1106 W 3.6526 7.0855 119.6648 55.4471 30.1043 176.0404 1107 N 4.7240 7.8679 117.5820 53.0073 39.3298 174.4099 1108 N 4.5312 9.0363 123.3192 56.1346 39.0213 174.8221 1109 N 4.5755 8.1953 118.1223 52.8058 39.1815 175.9125 1110 V 3.7099 8.5242 120.1741 64.5407 32.0192 178.1537 1111 N 4.2493 7.9718 116.2211 56.2087 38.3973 175.7272 1112 Q 4.4207 7.5745 113.9673 55.6495 29.3293 176.2136 1113 R 4.2614 7.4829 118.5609 55.0728 30.6338 174.8497 1114 P 4.4365 0.0000 0.0000 62.4491 32.3358 176.4838 1115 S 4.4468 8.1100 113.8213 57.6054 65.6630 175.2091 1116 F 4.0986 8.4949 121.7207 60.4682 38.2334 178.0063 1117 R 3.8934 8.0178 118.1362 59.6036 30.0305 178.1293 1118 D 4.3714 8.3206 118.8599 57.3790 40.7255 178.7527 1119 L 4.0180 7.9301 119.2846 57.7168 41.6319 179.4595 1120 A 4.0276 8.0416 120.6982 55.0267 18.2445 179.7058 1121 L 3.9076 7.6506 116.9885 58.0270 41.7862 179.6801 1122 R 3.9129 8.4555 118.2720 59.5758 30.0955 179.3498 1123 V 3.6709 8.0898 117.8860 66.1430 31.6229 177.8306 1124 D 4.4089 8.1644 118.6347 57.0747 40.6068 178.4199 1125 Q 3.9278 8.3300 120.3615 59.2989 29.1187 178.2660 1126 I 3.6994 7.7342 120.6128 64.7184 36.9981 178.4436 1127 R 3.9521 7.8251 117.1278 59.5656 29.9775 178.3579 1128 D 4.4685 7.8937 116.4656 57.1097 41.2614 177.6881 1129 N 4.4848 7.9451 116.4412 56.5354 38.6955 175.4483 1130 M 4.3854 7.9904 123.0223 55.6139 32.2214 176.1261 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 842 T 8.17 4.24 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 1.10 0.00 0.00 843 Q 8.31 4.26 0.00 2.16 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.73 0.00 0.00 0.00 0.00 0.00 2.34 2.42 0.00 844 F 9.27 4.25 0.00 2.81 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 845 E 9.63 4.27 0.00 2.18 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 2.42 2.42 0.00 846 E 9.06 3.93 0.00 2.12 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 2.43 2.46 0.00 847 R 8.02 3.97 0.00 1.89 2.03 0.00 3.02 0.00 0.00 3.12 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.16 0.00 848 H 8.16 4.80 0.00 2.91 2.86 0.00 5.62 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 849 L 8.08 4.91 0.00 1.83 1.75 0.98 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 850 K 8.96 4.55 0.00 1.81 1.75 0.00 1.65 0.00 0.00 1.58 0.00 0.00 2.76 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.43 1.39 7.81 851 F 9.01 4.49 0.00 3.02 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 852 L 7.84 4.46 0.00 1.39 1.41 0.76 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 853 Q 6.43 4.30 0.00 1.72 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 7.07 0.00 0.00 0.00 0.00 0.00 2.28 2.22 0.00 854 Q 8.97 4.42 0.00 2.26 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.83 0.00 0.00 0.00 0.00 0.00 2.40 2.52 0.00 855 L 8.97 4.62 0.00 1.69 1.68 nan 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 856 G 7.18 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 0.00 857 K 8.32 4.93 0.00 1.72 1.70 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.34 1.34 7.81 858 G 8.61 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 0.00 0.00 0.00 *861 G 8.11 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 0.00 862 S 8.86 5.30 0.00 3.81 3.90 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 0.00 863 V 8.85 4.93 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 1.08 0.00 0.00 0.94 0.00 0.00 864 E 9.23 5.12 0.00 1.96 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 2.54 2.32 0.00 865 M 8.77 4.69 0.00 1.79 1.66 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.15 0.00 866 C 8.78 5.18 0.00 2.87 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 0.00 867 R 8.50 4.82 0.00 1.85 1.78 0.00 3.06 0.00 0.00 3.24 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 868 Y 9.02 4.76 0.00 3.33 3.08 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 0.00 869 D 8.39 5.37 0.00 2.72 2.39 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 0.00 870 P 0.00 3.58 0.00 2.00 1.81 0.00 3.57 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.78 0.00 871 L 7.66 4.17 0.00 1.65 1.67 0.89 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 872 Q 7.65 3.74 0.00 2.07 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 7.02 0.00 0.00 0.00 0.00 0.00 2.28 2.29 0.00 873 D 7.35 4.81 0.00 2.71 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 0.00 874 N 8.96 4.27 0.00 2.85 2.96 0.00 0.00 6.77 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 0.00 875 T 7.67 4.41 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 876 G 7.49 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 0.00 0.00 0.00 0.00 877 E 8.71 4.27 0.00 2.16 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.38 0.00 878 V 8.36 4.36 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 0.38 0.00 0.00 0.84 0.00 0.00 879 V 8.98 4.77 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 0.77 0.00 0.00 0.96 0.00 0.00 880 A 9.05 5.28 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 0.00 881 V 8.87 4.71 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 1.03 0.00 0.00 0.89 0.00 0.00 882 K 9.25 5.12 0.00 1.90 1.85 0.00 1.71 0.00 0.00 1.93 0.00 0.00 2.79 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.26 1.34 7.81 883 K 8.64 5.07 0.00 1.82 1.86 0.00 1.36 0.00 0.00 1.73 0.00 0.00 2.93 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.44 1.34 7.81 884 L 8.23 4.09 0.00 1.52 1.49 0.98 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 885 Q 8.33 4.20 0.00 1.91 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.31 0.00 0.00 0.00 0.00 0.00 2.21 2.23 0.00 886 H 7.49 4.74 0.00 2.99 3.14 0.00 5.70 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 887 S 8.00 4.26 0.00 4.00 3.95 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 0.00 888 T 8.03 4.75 4.27 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 1.29 0.00 0.00 889 E 8.81 3.93 0.00 2.23 2.31 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 2.39 2.41 0.00 890 E 8.08 3.91 0.00 2.07 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 2.39 0.00 891 H 7.77 4.19 0.00 3.48 3.35 0.00 5.86 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 892 L 8.38 4.16 0.00 1.87 1.71 1.03 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 893 R 7.86 3.90 0.00 2.02 2.08 0.00 3.16 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 894 D 7.96 4.34 0.00 3.00 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 0.00 895 F 8.33 4.50 0.00 3.15 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 896 E 8.51 3.75 0.00 2.29 2.03 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 2.29 2.31 0.00 897 R 8.06 3.84 0.00 2.02 1.90 0.00 3.15 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.73 0.00 898 E 8.32 3.85 0.00 2.16 2.23 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 2.39 2.63 0.00 899 I 7.58 3.63 1.78 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.06 0.87 0.00 0.00 900 E 7.96 3.80 0.00 2.07 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 2.42 2.44 0.00 901 I 7.43 3.43 1.75 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 0.61 0.33 0.20 0.00 0.00 902 L 7.82 3.76 0.00 1.65 1.63 0.95 1.02 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 0.00 903 K 7.67 3.25 0.00 0.85 1.45 0.00 1.59 0.00 0.00 0.92 0.00 0.00 2.69 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.09 0.68 7.81 904 S 7.46 4.49 0.00 4.03 4.02 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 0.00 905 L 7.53 4.71 0.00 1.73 1.74 0.30 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 906 Q 8.89 4.41 0.00 2.05 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.59 0.00 0.00 0.00 0.00 0.00 2.31 2.30 0.00 907 H 8.14 4.40 0.00 2.15 2.88 0.00 5.68 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 908 D 8.27 4.40 0.00 2.52 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 0.00 909 N 8.25 5.20 0.00 2.91 2.82 0.00 0.00 6.94 7.44 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 0.00 910 I 7.64 5.29 2.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.78 1.13 0.00 0.00 911 V 8.56 3.97 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 0.86 0.00 0.00 1.02 0.00 0.00 912 K 9.58 4.30 0.00 1.71 1.83 0.00 1.90 0.00 0.00 1.60 0.00 0.00 2.79 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.54 7.81 913 Y 8.88 4.32 0.00 3.09 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 914 K 8.90 4.17 0.00 1.35 1.46 0.00 1.86 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.36 1.28 7.81 915 G 5.38 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 0.00 0.00 0.00 916 V 8.02 4.75 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 0.26 0.00 0.00 1.00 0.00 0.00 917 C 8.88 4.85 0.00 2.90 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 0.00 918 Y 8.70 5.10 0.00 2.91 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 0.00 919 S 8.41 4.47 0.00 3.98 4.11 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 *923 R 7.86 4.28 0.00 1.93 2.02 0.00 3.24 0.00 0.00 3.22 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.80 0.00 924 N 8.64 5.02 0.00 2.90 2.64 0.00 0.00 6.73 6.54 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 0.00 925 L 8.80 4.89 0.00 1.74 1.44 0.76 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 926 K 8.45 4.82 0.00 1.66 1.68 0.00 1.68 0.00 0.00 1.60 0.00 0.00 2.81 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.37 7.81 927 L 9.09 4.35 0.00 1.64 1.88 0.95 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 928 I 8.16 4.65 0.95 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 -0.36 0.12 0.00 0.00 929 M 8.94 5.28 0.00 1.88 1.89 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.48 0.00 930 E 8.56 4.31 0.00 2.01 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.27 0.00 931 Y 8.55 4.47 0.00 2.82 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 932 L 7.88 4.26 0.00 1.53 1.62 0.86 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 933 P 0.00 3.97 0.00 2.10 2.19 0.00 3.84 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.16 0.00 934 Y 7.89 4.21 0.00 2.82 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 0.00 935 G 7.70 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 0.00 936 S 8.34 4.57 0.00 3.90 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 0.00 937 L 8.75 3.92 0.00 1.66 1.86 0.74 1.02 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 0.00 938 R 7.74 3.92 0.00 1.92 1.94 0.00 3.17 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.75 0.00 939 D 8.06 4.45 0.00 2.89 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 0.00 940 Y 8.30 4.00 0.00 3.13 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 0.00 941 L 8.40 4.08 0.00 1.90 1.79 0.89 1.38 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 0.00 942 Q 7.62 4.10 0.00 2.23 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.96 0.00 0.00 0.00 0.00 0.00 2.43 2.44 0.00 943 K 8.09 4.11 0.00 1.42 1.74 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.62 7.81 944 H 8.50 4.79 0.00 2.91 3.14 0.00 5.63 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 945 K 7.14 4.19 0.00 1.70 1.54 0.00 1.74 0.00 0.00 2.35 0.00 0.00 3.18 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.63 1.36 7.81 946 E 8.72 3.91 0.00 1.76 1.78 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 1.56 1.95 0.00 947 R 7.96 3.82 0.00 1.72 2.13 0.00 3.18 0.00 0.00 3.14 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.66 0.00 948 I 7.27 4.15 2.05 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.74 1.01 0.00 0.00 949 D 8.30 4.81 0.00 2.90 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 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0.00 4.02 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 0.00 959 Q 8.15 4.05 0.00 2.45 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.55 0.00 0.00 0.00 0.00 0.00 2.43 2.47 0.00 960 I 8.04 3.74 2.30 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.06 1.18 0.00 0.00 961 C 8.45 3.83 0.00 3.32 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 0.00 962 K 8.36 4.07 0.00 2.06 1.93 0.00 1.77 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.51 1.61 7.81 963 G 8.14 3.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 964 M 7.33 3.84 0.00 0.51 1.02 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.66 0.00 965 E 7.97 4.07 0.00 2.14 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 2.39 2.53 0.00 966 Y 7.98 4.05 0.00 2.98 2.99 0.00 0.00 0.00 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0.00 0.00 1026 L 7.23 3.99 0.00 1.64 1.62 0.73 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 1027 T 7.95 4.12 4.16 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 1.10 0.00 0.00 1028 E 7.51 4.57 0.00 1.99 1.86 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 2.18 2.18 0.00 1029 S 7.98 3.80 0.00 4.09 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 0.00 1030 K 7.64 4.40 0.00 1.53 1.63 0.00 1.64 0.00 0.00 1.66 0.00 0.00 2.85 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.36 1.35 7.81 1031 F 8.64 4.71 0.00 2.95 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1032 S 8.72 4.71 0.00 4.10 3.95 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 1033 V 8.80 3.75 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 1.20 0.00 0.00 1.04 0.00 0.00 1034 A 7.70 4.06 1.39 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 1035 S 8.22 4.41 0.00 3.96 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 1036 D 8.32 4.68 0.00 3.28 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1037 V 8.08 3.38 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 0.93 0.00 0.00 0.24 0.00 0.00 1038 W 8.19 4.70 0.00 3.72 3.38 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 1039 S 8.57 4.72 0.00 4.47 4.51 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 1040 F 9.04 4.56 0.00 3.62 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1041 G 8.37 3.35 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 0.00 0.00 0.00 0.00 1042 V 8.23 3.97 2.47 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 0.46 0.00 0.00 1.06 0.00 0.00 1043 V 8.18 4.05 2.29 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 1.10 0.00 0.00 1.23 0.00 0.00 1044 L 8.01 3.90 0.00 1.42 1.68 1.06 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 1045 Y 8.21 4.11 0.00 3.50 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1046 E 8.64 4.07 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 2.67 2.95 0.00 1047 L 8.14 3.83 0.00 1.85 1.41 1.04 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 1048 F 7.80 3.68 0.00 2.85 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1049 T 7.46 4.22 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.00 0.00 1050 Y 7.58 3.44 0.00 3.15 3.08 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 1051 I 7.59 3.38 1.94 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.52 1.00 0.00 0.00 1052 E 8.02 4.06 0.00 2.26 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 2.33 2.27 0.00 1053 K 8.78 4.15 0.00 2.01 2.10 0.00 1.58 0.00 0.00 1.90 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.52 1.45 7.81 1054 S 8.10 4.23 0.00 4.00 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 1055 K 7.73 4.48 0.00 1.79 1.88 0.00 1.85 0.00 0.00 1.79 0.00 0.00 3.01 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.39 1.49 7.81 1056 S 7.53 4.46 0.00 4.18 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1057 P 0.00 3.73 0.00 1.23 1.56 0.00 3.63 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.85 0.00 1058 P 0.00 2.97 0.00 1.97 1.62 0.00 3.57 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 1059 A 7.47 3.86 1.28 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 1060 E 8.09 3.75 0.00 1.69 1.53 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 2.27 2.43 0.00 1061 F 7.85 4.17 0.00 2.93 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 1062 M 7.87 4.09 0.00 2.05 2.28 0.00 0.00 0.00 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.70 0.00 1063 R 7.57 3.85 0.00 1.97 1.91 0.00 3.26 0.00 0.00 3.19 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 1064 M 7.64 4.16 0.00 2.09 2.31 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.52 0.00 1065 I 8.00 4.28 1.94 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.65 1.02 0.00 0.00 1066 G 7.80 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 1067 N 8.64 4.48 0.00 2.73 2.91 0.00 0.00 7.16 8.06 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 1068 D 8.01 4.60 0.00 2.83 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1069 K 7.73 4.41 0.00 1.86 1.84 0.00 1.66 0.00 0.00 1.68 0.00 0.00 2.36 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.69 1.53 7.81 1070 Q 8.25 4.62 0.00 2.07 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.80 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 1071 G 8.73 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 0.00 0.00 0.00 1072 Q 8.76 4.07 0.00 2.25 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.84 0.00 0.00 0.00 0.00 0.00 2.42 2.40 0.00 1073 M 7.99 4.18 0.00 2.10 2.39 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.72 0.00 1074 I 7.92 3.78 2.03 0.00 0.00 1.00 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 0.79 0.93 0.00 0.00 1075 V 7.75 3.47 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.88 0.00 0.00 1076 F 8.13 4.05 0.00 3.09 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1077 H 8.68 4.16 0.00 3.31 3.40 0.00 5.67 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1078 L 8.25 3.99 0.00 1.80 1.73 0.47 0.90 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 1079 I 7.63 3.53 1.81 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 1.38 0.57 0.75 0.00 0.00 1080 E 7.61 3.76 0.00 2.03 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 1.85 1.94 0.00 1081 L 8.28 3.94 0.00 1.81 1.89 0.98 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 1082 L 8.10 4.10 0.00 1.70 1.81 0.84 1.18 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 1083 K 8.12 3.91 0.00 1.90 1.86 0.00 1.60 0.00 0.00 1.60 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.43 7.81 1084 N 7.51 4.88 0.00 2.63 2.82 0.00 0.00 7.08 9.28 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 1085 N 8.28 4.39 0.00 2.91 3.02 0.00 0.00 6.81 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 1086 G 8.04 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1087 R 8.15 4.60 0.00 1.84 1.82 0.00 3.42 0.00 0.00 3.17 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.69 0.00 1088 L 7.34 3.55 0.00 1.03 0.81 -0.25 -0.28 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 1089 P 0.00 4.50 0.00 2.18 2.05 0.00 3.57 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.14 0.00 1090 R 8.05 3.42 0.00 0.67 1.42 0.00 3.00 0.00 0.00 3.16 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.69 0.00 1091 P 0.00 4.22 0.00 2.16 1.75 0.00 3.55 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 2.01 1.66 0.00 1092 D 8.46 4.37 0.00 2.60 2.60 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 1093 G 8.99 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 1094 C 7.70 4.33 0.00 2.92 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1095 P 0.00 4.41 0.00 2.23 2.20 0.00 3.46 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.03 0.00 1096 D 8.61 4.42 0.00 2.71 2.76 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 1097 E 8.12 3.98 0.00 2.12 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 2.32 2.32 0.00 1098 I 7.44 3.77 1.51 0.00 0.00 0.75 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 0.73 0.04 0.00 0.00 1099 Y 7.70 4.01 0.00 2.87 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1100 M 8.15 3.71 0.00 1.96 2.20 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.55 0.00 1101 I 7.09 3.50 1.91 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 1.46 0.63 0.91 0.00 0.00 1102 M 7.15 3.15 0.00 0.51 1.33 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.24 0.00 1103 T 6.55 3.54 4.02 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 0.38 0.00 0.00 1104 E 7.52 3.97 0.00 1.96 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 2.25 2.31 0.00 1105 C 7.64 4.26 0.00 2.62 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 1106 W 7.09 3.65 0.00 3.00 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 0.00 0.00 0.00 0.00 1107 N 7.87 4.72 0.00 2.93 2.95 0.00 0.00 7.26 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 1108 N 9.04 4.53 0.00 2.83 2.92 0.00 0.00 7.06 8.00 0.00 0.00 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 N 8.20 4.58 0.00 2.72 2.91 0.00 0.00 7.15 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 1110 V 8.52 3.71 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 0.79 0.00 0.00 0.92 0.00 0.00 1111 N 7.97 4.25 0.00 2.85 2.91 0.00 0.00 7.02 9.04 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 1112 Q 7.57 4.42 0.00 2.02 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.87 0.00 0.00 0.00 0.00 0.00 2.33 2.32 0.00 1113 R 7.48 4.26 0.00 1.77 1.86 0.00 3.32 0.00 0.00 3.63 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.66 0.00 1114 P 0.00 4.44 0.00 2.07 1.99 0.00 3.73 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.86 0.00 1115 S 8.11 4.45 0.00 4.07 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.49 4.10 0.00 3.15 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 1117 R 8.02 3.89 0.00 1.91 1.94 0.00 3.19 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.75 0.00 1118 D 8.32 4.37 0.00 2.84 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 1119 L 7.93 4.02 0.00 1.75 1.67 0.59 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 1120 A 8.04 4.03 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 1121 L 7.65 3.91 0.00 1.93 1.74 0.93 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 1122 R 8.46 3.91 0.00 2.02 2.00 0.00 3.10 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.78 0.00 1123 V 8.09 3.67 2.23 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 1.16 0.00 0.00 1.09 0.00 0.00 1124 D 8.16 4.41 0.00 3.05 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 1125 Q 8.33 3.93 0.00 2.30 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.75 0.00 0.00 0.00 0.00 0.00 2.36 2.46 0.00 1126 I 7.73 3.70 2.03 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 1.52 0.69 0.93 0.00 0.00 1127 R 7.83 3.95 0.00 1.98 2.02 0.00 3.38 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.69 0.00 1128 D 7.89 4.47 0.00 2.84 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1129 N 7.95 4.48 0.00 2.96 2.87 0.00 0.00 7.07 6.99 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 1130 M 7.99 4.39 0.00 2.02 2.00 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 2.82 2.58 0.00 * Residues marked with a * may have inaccurate shift predictions.